# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T11:59:40+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n a 21' 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
"1000098","18.303","0.001","5.3122","0.0002","9.42","0.0004","90","","90","","90","","915.9","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium strontium hexafluoroaluminate","","- Al F6 Na Sr -","- Al F6 Na Sr -","- Al8 F48 Na8 Sr8 -","8","2","","Hemon, A; Le Bail, A; Courbion, G","Synthesis and crystal structure of NaSrAlF~6~","European Journal of Solid State Inorganic Chemistry","1990","27","","905","912","","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000298","13.005","0.001","6.4748","0.0006","10.614","0.001","90","","90","","90","","893.7","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Potassium antimony(V) oxide silicate","","- K O5 Sb Si -","- K O5 Sb Si -","- K8 O40 Sb8 Si8 -","8","2","","Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y","KSbOSiO~4~: a new isomorphous derivative of KTiOPO~4~","European Journal of Solid State Inorganic Chemistry","1990","27","","845","854","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000359","12.993","0.003","6.468","0.001","10.64","0.003","90","","90","","90","","894.2","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Ammonium iron(III) phosphate fluoride","","- F Fe H4 N O4 P -","- F Fe H8 N O4 P -","- F8 Fe8 H64 N8 O32 P8 -","8","2","","Loiseau, Th; Calage, Y; Lacorre, P; Ferey, G","NH~4~FePO~4~F: structural study and magnetic properties","Journal of Solid State Chemistry","1994","111","","390","396","10.1006/jssc.1994.1244","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000442","4.8437","0.0002","8.33","0.0003","8.9547","0.0004","90","","90","","90","","361.3","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Aluminium oxide - κ","","- Al2 O3 -","- Al2 O3 -","- Al16 O24 -","8","2","","Ollivier, Benoist; Retoux, Richard; Lacorre, Philippe; Massiot, Dominique; Férey, Gérard","Crystal structure of κ-alumina: an X-ray powder diffraction, TEM and NMR study","Journal of Materials Chemistry","1997","7","6","1049","1056","10.1039/a700054e","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1001371","17.407","0.001","11.3438","0.0007","7.2964","0.0015","90","","90","","90","","1440.8","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dipotassium vanadtobiphosphate","","- K2 O17 P4 V3 -","- K2 O17 P4 V3 -","- K8 O68 P16 V12 -","4","1","","Leclaire, A; Chahboun, H; Groult, D; Raveau, B","Concerning the Intersecting Tunnel Structure of a Novel Vanadyldiphosphate K~2~ (V O~3~) (P~2~ O~7~)~2~ and Its Structural Relationships with Other V(V) and V(IV) Phosphates and Relatives","Journal of Solid State Chemistry","1988","77","","170","179","10.1016/0022-4596(88)90105-3","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004067","14.859","","7.55","","5.487","","90","","90","","90","","615.6","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","NEODYMIUM TETRAOXOOSMATE(V)","","- Nd O4 Os -","- Nd O4 Os -","- Nd8 O32 Os8 -","8","2","","Abraham, F; Trehoux, J; Thomas, D","Crystal structure of Nd Os O~4~ a new Ba Zn F~4~ -type compound","Journal of Inorganic and Nuclear Chemistry","1980","42","","1627","1630","10.1016/0022-1902(80)80327-7","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006083","10.8096","0.0002","3.4962","0.0001","12.4735","0.0002","90","","90","","90","","471.4","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Diholmium dicopper oxide","","- Cu2 Ho2 O5 -","- Cu2 Ho2 O5 -","- Cu8 Ho8 O20 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006084","10.796","0.002","3.494","0.001","12.4546","0.0002","90","","90","","90","","469.8","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Diyttrium dicopper oxide","","- Cu2 O5 Y2 -","- Cu2 O5 Y2 -","- Cu8 O20 Y8 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006085","10.7839","0.0002","3.4745","0.0001","12.4434","0.0003","90","","90","","90","","466.2","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Dierbium dicopper oxide","","- Cu2 Er2 O5 -","- Cu2 Er2 O5 -","- Cu8 Er8 O20 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006086","10.7353","0.0001","3.4575","0.0001","12.3704","0.0002","90","","90","","90","","459.2","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Dithulium dicopper oxide","","- Cu2 O5 Tm2 -","- Cu2 O5 Tm2 -","- Cu8 O20 Tm8 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006087","10.729","0.0001","3.4355","0.0001","12.3531","0.0001","90","","90","","90","","455.3","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Diytterbium dicopper oxide","","- Cu2 O5 Yb2 -","- Cu2 O5 Yb2 -","- Cu8 O20 Yb8 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007233","14.773","0.002","15.758","0.003","19.91409","0.0002","90","","90","","90","","4635.9","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetracalcium dipotassium cyclo-decaphosphate 16-hydrate","","- Ca4 H32 K2 O46 P10 -","- Ca4 H32 K2 O46 P10 -","- Ca16 H128 K8 O184 P40 -","4","1","","Averbuch-Pouchot, M-T; Durif, A; Schuelke, U","The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4 K2 P10 O30 . 16(H2 O)","European Journal of Solid State Inorganic Chemistry","1996","33","","1091","1100","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008187","9.601","0.002","11.51","0.002","5.202","0.001","90","","90","","90","","574.9","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","RUBIDIUM DIFLUOROANTIMONY SULFATE","","- F2 O4 Rb S Sb -","- F2 O4 Rb S Sb -","- F8 O16 Rb4 S4 Sb4 -","4","1","","Fourcade, R; Bourgault, M; Bonnet, B; Ducourant, B","Synthese et structure du sulfate double M Sb F~2~ S O~4~ (M = Rb,Cs)","Journal of Solid State Chemistry","1982","43","","81","86","10.1016/0022-4596(82)90217-1","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008191","5.672","","7.136","","5.377","","90","","90","","90","","217.6","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sodium dioxoferrate(III) - β","","- Fe Na O2 -","- Fe Na O2 -","- Fe4 Na4 O8 -","4","1","","Bertaut, E. F.; Delapalme, A.; Bassi, G.","Structure magnétique de β-FeNaO~2~ et affinement des positions atomique","Journal de Physique (Paris)","1964","25","5","545","549","10.1051/jphys:01964002505054500","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","200139","2020-10-21","18:00:00",""
"1008319","9.158","0.002","12.144","0.003","6.729","0.001","90","","90","","90","","748.4","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Barium potassium vanadium sulfide (1.14/.72/1/4)","","- Ba1.14 K0.72 S4 V -","- Ba1.14 K0.72 S4 V -","- Ba4.56 K2.88 S16 V4 -","4","1","","Vincent, H; Anne, M; Chang, A; Marcus, J","Synthese et structure cristalline de Ba~1.14~ K~.72~ V S~4~","Journal of Solid State Chemistry","1986","61","","332","337","10.1016/0022-4596(86)90039-3","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008335","6.416","0.002","7.727","0.003","7.298","0.002","90","","90","","90","","361.8","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Lithium dihydrogenarsenate","","- As H2 Li O4 -","- As H2 Li O4 -","- As4 H8 Li4 O16 -","4","1","","Fanchon, E.; Vicat, J.; Tran Qui, Duc; Boudjada, A.","Absolute structure of LiH~2~AsO~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1987","43","6","1022","1025","10.1107/s0108270187093156","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","209013","2020-10-21","18:00:00",""
"1008807","12.555","0.002","6.258","0.002","10.554","0.002","90","","90","","90","","829.2","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Sodium potassium oxotitanium phosphate(V) (0.99/0.01/1/1)","","- K0.008 Na0.992 O5 P Ti -","- K0.008 Na0.992 O5 P Ti -","- K0.064 Na7.936 O40 P8 Ti8 -","8","2","","Dahaoui, S; Hansen, N K; Menaert, B","Na Ti O P O4 and K Ti O P O4 at 110 K","Acta Crystallographica C (39,1983-)","1997","53","","1173","1176","","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008834","11.82","","13.333","","7.816","","90","","90","","90","","1231.8","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Potassium dierbium fluoride - $-beta","","- Er2 F7 K -","- Er2 F7 K -","- Er16 F56 K8 -","8","2","","Aleonard, S; le Fur, Y; Gorius, M F; Roux, M T","Structure cristalline de la phase $-beta-K Er2 F7. Composes isotypes","Journal of Solid State Chemistry","1980","34","","79","89","10.1016/0022-4596(80)90406-5","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008927","5.672","","7.136","","5.377","","90","","90","","90","","217.6","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Iron(III) sodium oxide - $-beta","","- Fe Na O2 -","- Fe Na O2 -","- Fe4 Na4 O8 -","4","1","","Bertaut, F.; Delapalme, A.; Bassi, G.","Structure magnetique de β-FeNaO~2~. Raffinement des paramèters atomiques","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences","1963","257","","421","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","200088","2020-10-21","18:00:00",""
"1009034","5.672","","7.136","","5.377","","90","","90","","90","","217.6","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sodium iron(III) oxide - $-beta","","- Fe Na O2 -","- Fe Na O2 -","- Fe4 Na4 O8 -","4","1","","Bertaut, F; Blum, P","Structure d'une nouvelle variete de ferrite de sodium (Fe Na O2)","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1954","239","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011144","4.916","","5.542","","11.78","","90","","90","","90","","320.9","","","","","","","","","","","","from Mesa Grande, California","3","P n a 21","P 2c -2n","33","","Antimony phyllo-tetraoxotantalate","Stibiotantalite","- O4 Sb Ta -","- O4 Sb Ta -","- O16 Sb4 Ta4 -","4","1","","Dihlstroem, K","Ueber den Bau des wahren Antimontetroxyds und des damit isomorphen Stibiotantalits, Sb Ta O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","57","64","10.1002/zaac.19382390107","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100022","20.871","0.002","9.496","0.001","5.6","0.001","90","","90","","90","","1109.9","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","CALCIUM STRONTIUM SILICATE","","- Ca O4 Si Sr -","- Ca O4 Si Sr -","- Ca12 O48 Si12 Sr12 -","12","3","","Il'inets, A. M.; Nevskii, N. N.; Ilyukhin, V. V.; Bikbau, M. Y.; Belov, N. V.","The crystal structure of α'-modification of dicalcium silicate Ca(Ca, Sr)SiO~4~","Doklady Akademii Nauk SSSR","1982","267","","641","644","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","180594","2020-10-21","18:00:00",""
"1100141","7.4026","0.0011","15.023","0.002","12.308","0.0018","90","","90","","90","","1368.8","0.3","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","","","","","","","","","","","","0.71073","MoKα","","0.1067","0.0545","","","0.0887","0.106","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100230","15.929","0.002","9.438","0.001","14.13","0.002","90","","90","","90","","2124.27","","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","Dibromo-tetrapyridine-nickel(ii)","","- C20 H20 Br2 N4 Ni -","- C20 H20 Br2 N4 Ni -","- C80 H80 Br8 N16 Ni4 -","4","1","","Gröb, Thorsten; Neumüller, Bernhard; Harms, Klaus; Schmock, Fritjof; Greiner, Andreas; Dehnicke, Kurt","Die Kristallstrukturen vontrans-[NiBr~2~(Pyridin)~4~] und [Ni(HNPEt~3~)~4~]I~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","8","1928","1931","10.1002/1521-3749(200108)627:8<1928::AID-ZAAC1928>3.0.CO;2-V","","","","","","","4.92","","","4.92","","","","","","","","","","","has coordinates","176963","2020-10-21","18:00:00",""
"1100235","10.608","0.0005","18.5975","0.0008","6.4587","0.0008","90","","90","","90","","1274.19","","","","213","","","","","","","","","3","P n a 21","P 2c -2n","33","","meso-2,2'-dimethylbicyclohexyl-4,4'-dione","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","1","","Hoffmann, Reinhard W.; Brandl, Trixi; Kirsch, Peer; Harms, Klaus","Synthesis of a Mesogenic Compound with a Defined Conformation","Synlett","2001","2001","SI","960","963","10.1055/s-2001-14633","","","","","","","6.03","","","6.03","","","","","","","","","","","has coordinates","176883","2020-10-21","18:00:00",""
"1100279","17.051","0.006","10.017","0.002","23.759","0.03","90","","90","","90","","4058.03","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H56 Li2 N4 O4 S2 -","- C38 H54 Li2 N4 O4 S2 -","- C152 H216 Li8 N16 O16 S8 -","4","1","","Boche, Gernot; Marsch, Michael; Harms, Klaus; Sheldrick, George M.","X-Ray Structure Determination of [α-(Phenylsulfonyl)benzyllithium-Tetramethylethylenediamine]~2~: Chirality of an α-Sulfonyl ""Carbanion""","Angewandte Chemie, International Edition in English","1985","24","7","573","575","10.1002/anie.198505731","","","","","","","","","","","","","","","","","","","","","has coordinates","176970","2020-10-21","18:00:00",""
"1100348","22.077","0.001","12.23","0.001","16.528","0.001","90","","90","","90","","4462.59","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H84 Li4 N8 -","- C42 H95 Li4 N8 -","- C168 H380 Li16 N32 -","4","1","","Boche, Gernot; Langlotz, Ira; Marsch, Michael; Harms, Klaus; Nudelman, Norma E. S.","[Lithium Piperidide-Piperidine]~4~: Crystal Structure of an Oligomeric 1:1 Lithium Amide-Amine Mixed Complex, an Intermediate in the N-Lithiation of Amines","Angewandte Chemie, International Edition in English","1992","31","9","1205","1207","10.1002/anie.199212051","","","","","","","","","","","","","","","","","","","","","has coordinates","176972","2020-10-21","18:00:00",""
"1100407","15.228","0.002","14.083","0.001","8.658","0.001","90","","90","","90","","1856.76","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H15 Cl2 I N P -","- C18 H15 Cl2 I N P -","- C72 H60 Cl8 I4 N4 P4 -","4","1","","Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.","Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","9","1489","1495","10.1002/zaac.19956210909","","","","","","","","","","","","","","","","","","","","","has coordinates","177943","2020-10-21","18:00:00",""
"1100475","19.765","0.004","8.602","0.002","26.127","0.005","90","","90","","90","","4442.07","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H65 B3 Cl8 N3 P3 -","- C28 H65 B3 Cl8 N3 P3 -","- C112 H260 B12 Cl32 N12 P12 -","4","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",""
"1100484","16.272","0.001","8.763","0.003","13.353","0.001","90","","90","","90","","1904.02","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl4 N2 Nb P -","- C11 H24 Cl4 N2 Nb P -","- C44 H96 Cl16 N8 Nb4 P4 -","4","1","","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",""
"1100680","23.516","0.003","5.364","0.003","21.872","0.003","90","","90","","90","","2758.7","1.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","2","","Sari, Ugur; Bati, Hümeyra; Güven, Kutalms; Tas, Murat; Aksoy, Ilhan","Structure of 1-(4-Methylphenylamino)-2-phenyl-1,2-ethandione-1-oxime","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x61","x62","10.2116/analscix.19.x61","","","0.71069","MoKα","","0.1098","0.041","","","0.1284","0.1759","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1100802","26.2152","0.0019","14.954","0.0011","6.4535","0.0005","90","","90","","90","","2529.9","0.3","123","2","123","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C17 H30 Cl F6 N6 O3 P3 Ru -","- C17 H30 Cl F6 N6 O3 P3 Ru -","- C68 H120 Cl4 F24 N24 O12 P12 Ru4 -","4","1","","Mebi, Charles A.; Frost, Brian J.","Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H","Organometallics","2005","24","10","2339","2346","10.1021/om048987r","","","0.71073","MoKα","","0.0745","0.0471","","","0.0918","0.0984","","","","","","0.928","","","","has coordinates","180561","2020-10-21","18:00:00",""
"1100900","48.748","0.003","11.2312","0.0006","11.141","0.0006","90","","90","","90","","6099.7","0.6","160","2","160","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C44 H92 Ge I2 Li2 N2 O3 P2 Si4 -","- C44 H92 Ge I2 Li2 N2 O3 P2 Si4 -","- C176 H368 Ge4 I8 Li8 N8 O12 P8 Si16 -","4","1","","Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.","An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study","Organometallics","2005","24","9","2157","2167","10.1021/om0501125","","","0.71073","MoKα","","0.0581","0.0476","","","0.0965","0.0998","","","","","","1.106","","","","has coordinates,has disorder","210321","2020-10-21","18:00:00",""
"1101219","29.166","","38.497","","37.405","","90","","90","","90","","41998.1","","293","2","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C258 H579 N17 O156 Si4 Ti8 W40 -","- C247.01 N17 O156 Si4 Ti8 W40 -","- C988.04 N68 O624 Si16 Ti32 W160 -","4","1","","Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka","Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate","Inorganic Chemistry","2006","45","5","2347","2356","10.1021/ic052179q","","","0.71073","MoKα","","","0.0444","","","","0.1266","","","","","","1.006","","","","has coordinates","178223","2020-10-21","18:00:00",""
"1501746","20.353","0.004","14.179","0.003","10.415","0.003","90","","90","","90","","3005.6","1.2","120","0.1","120","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","1","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.0488","0.0262","","","0.0661","0.0721","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501915","17.827","0.004","11.746","0.002","11.045","0.002","90","","90","","90","","2312.8","0.8","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","1","","Cao, Jian; Yang, Xiongfa; Hua, Xilin; Deng, Yuan; Lai, Guoqiao","Synthesis of 2-azaanthracenes via a sequential Sonogashira coupling/alkynyl imine-allenyl imine isomerization/aza-Diels-Alder/elimination-aromatization reaction.","Organic letters","2011","13","3","478","481","10.1021/ol1028207","","","0.71073","MoKα","","0.0508","0.0383","","","0.1008","0.117","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501938","12.6475","0.0005","11.3248","0.0004","14.4129","0.0005","90","","90","","90","","2064.37","0.13","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 O6 -","- C24 H28 O6 -","- C96 H112 O24 -","4","1","","Stewart, Craig; McDonald, Robert; West, F. G.","Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.","Organic letters","2011","13","4","720","723","10.1021/ol102953s","","","0.71073","MoKα","","0.0359","0.0353","","","0.0994","0.1002","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502099","20.8115","0.0018","17.7466","0.0015","8.0099","0.0007","90","","90","","90","","2958.3","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","CE-terthiophene","","","- C34 H30 O6 S3 -","- C34 H30 O6 S3 -","- C136 H120 O24 S12 -","4","1","","Kadarkaraisamy, Mariappan; Thammavongkeo, Soudsakhone; Basa, Prem N.; Caple, Gerald; Sykes, Andrew G.","Substitution of thiophene oligomers with macrocyclic end caps and the colorimetric detection of Hg(II).","Organic letters","2011","13","9","2364","2367","10.1021/ol200442k","","","0.71073","MoKα","","0.0591","0.0447","","","0.1028","0.1114","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502136","9.4741","0.0017","12.37","0.003","17.179","0.004","90","","90","","90","","2013.3","0.8","173.1","","173.1","","","","","","","","","4","P n a 21","P 2c -2n","33","6,10-dimethyl-15b-(thiophospha)naphtho[1,8-ab]perylene","","","- C28 H19 P S -","- C28 H19 P S -","- C112 H76 P4 S4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","","","0.7107","MoKα","","0.0252","0.0233","","","","0.055","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502149","14.897","0.002","7.9148","0.0013","14.525","0.002","90","","90","","90","","1712.6","0.4","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H21 Br N2 O2 S -","- C15 H21 Br N2 O2 S -","- C60 H84 Br4 N8 O8 S4 -","4","1","","Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung","N-bromosuccinimide initiated one-pot synthesis of imidazoline.","Organic letters","2011","13","9","2448","2451","10.1021/ol2006902","","","0.71073","MoKα","","0.0763","0.0446","","","0.096","0.1067","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502240","14.78","0.005","17.617","0.006","6.08","0.002","90","","90","","90","","1583.1","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Li, Shaoyu; Luo, Yong; Wu, Jie","An efficient approach to fused indolines via a copper(I)-catalyzed reaction of sulfonyl azide with 2-ethynylaryl methylenecyclopropane.","Organic letters","2011","13","12","3190","3193","10.1021/ol2011067","","","0.71073","MoKα","","0.0625","0.0586","","","0.1498","0.1533","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502378","9.8637","0.0012","7.3755","0.0009","21.361","0.002","90","","90","","90","","1554","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C64 H76 Br4 N8 O8 -","4","1","","Granger, Brett A.; Kaneda, Kyosuke; Martin, Stephen F.","Multicomponent assembly strategies for the synthesis of diverse tetrahydroisoquinoline scaffolds.","Organic letters","2011","13","17","4542","4545","10.1021/ol201739u","","","0.71075","MoKα","","0.0685","0.0419","","","0.0809","0.095","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502428","21.9909","0.0008","13.9411","0.0006","6.3316","0.0002","90","","90","","90","","1941.13","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C92 H80 N8 O12 -","4","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","1.54184","CuKα","","0.0878","0.0709","","","0.1927","0.2122","","","","","","1.041","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502513","7.468","0.003","19.561","0.008","11.277","0.004","90","","90","","90","","1647.4","1.1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Ren, Zhi-Hui; Zhang, Zhi-Yuan; Yang, Bing-Qin; Wang, Yao-Yu; Guan, Zheng-Hui","Copper-catalyzed coupling of oxime acetates with aldehydes: a new strategy for synthesis of pyridines.","Organic letters","2011","13","19","5394","5397","10.1021/ol202290y","","","0.71073","MoKα","","0.1543","0.0553","","","0.1201","0.1658","","","","","","0.89","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502535","17.577","0.005","7.597","0.005","13.745","0.005","90","0.005","90","0.005","90","0.005","1835.4","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71073","MoKα","","0.0576","0.0491","","","0.112","0.1183","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502770","8.628","0.0003","14.8751","0.0005","17.4444","0.0006","90","","90","","90","","2238.86","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H17 I2 N O2 S2 -","- C23 H17 I2 N O2 S2 -","- C92 H68 I8 N4 O8 S8 -","4","1","","Song, Changsik; Walker, D. Barney; Swager, Timothy M.","Conducting Thiophene-Annulated Azepine Polymers","Macromolecules","2010","43","12","5233","","10.1021/ma100549w","","","0.71073","MoKα","","0.0195","0.0191","","","0.0525","0.0527","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502903","20.724","0.0008","5.8436","0.0002","10.4288","0.0004","90","","90","","90","","1262.96","0.08","173","","173","","","","","","","","LOC ETH Zurich","6","P n a 21","P 2c -2n","33","","(4-bomophenyl)(1,1-dioxo-1-thia-6-azaspiro[3.3]heptan-6-yl)methanone","","- C12 H12 Br N O3 S -","- C12 H12 Br N O3 S -","- C48 H48 Br4 N4 O12 S4 -","4","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","","0.0333","0.0313","","","0.0917","0.0952","","","","","","0.791","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503025","18.6734","0.0005","8.9202","0.0007","11.2248","0.0006","90","","90","","90","","1869.72","0.18","150","1","150","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Candito, David A.; Lautens, Mark","Exploiting the chemistry of strained rings: synthesis of indoles via domino reaction of aryl iodides with 2H-azirines.","Organic letters","2010","12","15","3312","3315","10.1021/ol100975b","","","0.71073","MoKα","","0.0966","0.0479","","","0.1","0.1204","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503143","11.6761","0.0004","20.3879","0.0007","9.3747","0.0003","90","","90","","90","","2231.66","0.13","293","1","293","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H20 Cl3 N O6 S2 -","- C18 H20 Cl3 N O6 S2 -","- C72 H80 Cl12 N4 O24 S8 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","1.5418","CuKα","","0.0513","0.0482","","","0.1238","0.127","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503145","22.6616","0.0014","6.417","0.0003","13.3006","0.0008","90","","90","","90","","1934.17","0.19","173","1","173","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H18 Cl3 N O6 S -","- C14 H18 Cl3 N O6 S -","- C56 H72 Cl12 N4 O24 S4 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","0.71073","MoKα","","0.0188","0.0186","","","0.0512","0.0515","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503231","16.092","","13.971","","12.527","","90","","90","","90","","2816.34","","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H46 N4 O3 -","- C29 H46 N4 O3 -","- C116 H184 N16 O12 -","4","1","","Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.","Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes.","Organic letters","2010","12","20","4592","4595","10.1021/ol101898y","","","0.71073","MoKα","","0.0542","0.0458","","","0.1132","0.1197","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503232","16.1444","0.0012","14.8471","0.001","12.468","0.0007","90","","90","","90","","2988.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H44 Cl2 N4 O3 -","- C29 H44 Cl2 N4 O3 -","- C116 H176 Cl8 N16 O12 -","4","1","","Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.","Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes.","Organic letters","2010","12","20","4592","4595","10.1021/ol101898y","","","0.71073","MoKα","","0.0705","0.0504","","","0.1101","0.1198","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503233","15.8418","0.001","14.3022","0.0007","13.0883","0.0006","90","","90","","90","","2965.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H45 Br2 N3 O -","- C29 H45 Br2 N3 O -","- C116 H180 Br8 N12 O4 -","4","1","","Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.","Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes.","Organic letters","2010","12","20","4592","4595","10.1021/ol101898y","","","0.71073","MoKα","","0.1044","0.0604","","","0.1428","0.1621","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503253","12.3938","0.0003","18.8824","0.0005","5.9739","0.0002","90","","90","","90","","1398.04","0.07","292","2","292","2","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C18 H13 N O Se -","- C18 H13 N O Se -","- C72 H52 N4 O4 Se4 -","4","1","","Balkrishna, Shah Jaimin; Bhakuni, Bhagat Singh; Chopra, Deepak; Kumar, Sangit","Cu-catalyzed efficient synthetic methodology for ebselen and related Se-N heterocycles.","Organic letters","2010","12","23","5394","5397","10.1021/ol102027j","","","0.71073","MoKα","","0.0341","0.0242","","","0.048","0.0491","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503337","22.1067","0.001","8.7972","0.0004","7.6712","0.0003","90","","90","","90","","1491.87","0.11","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 N2 S -","- C16 H16 N2 S -","- C64 H64 N8 S4 -","4","1","","Ramana, Tamminana; Saha, Prasenjit; Das, Manas; Punniyamurthy, Tharmalingam","Copper-catalyzed domino intra- and intermolecular C-S cross-coupling reactions: synthesis of 2-(arylthio)arylcyanamides.","Organic letters","2010","12","1","84","87","10.1021/ol9024088","","","0.71073","MoKα","","0.0798","0.0396","","","0.0654","0.0705","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503356","11.86","0.005","21.361","0.005","6.275","0.005","90","0.005","90","0.005","90","0.005","1589.7","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C64 H68 N4 O12 S8 -","4","1","","Li, Yifei; Xu, Xianxiu; Tan, Jing; Liao, Peiqiu; Zhang, Jingping; Liu, Qun","Polarity-reversible conjugate addition tuned by remote electronic effects","Organic Letters","2010","12","2","244","247","10.1021/ol902551m","","","0.71069","MoKα","","0.0745","0.0524","","","0.111","0.1232","","","","","","1.051","","","","has coordinates","218672","2020-10-21","18:00:00",""
"1503391","11.5889","0.0005","21.2681","0.0009","12.6708","0.0006","90","","90","","90","","3123","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","2","P n a 21","P 2c -2n","33","1-(3-Ethynylphenyl)-2,3,4,5,6-pentaphenylbenzene","1-(3-Ethynylphenyl)-2,3,4,5,6-pentaphenylbenzene","","- C44 H30 -","- C44 H30 -","- C176 H120 -","4","1","","Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D.","Hexaphenylbenzenes as potential acetylene sponges.","Organic letters","2010","12","2","380","383","10.1021/ol902723q","","","1.54178","CuKα","","0.0518","0.0479","","","0.136","0.1406","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503425","14.9632","0.0011","18.7349","0.0015","6.3505","0.0004","90","","90","","90","","1780.3","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","dihydrofuran","(E)-5-benzylidene-2-isobutyl-2-methyl-3-phenyl-2,5-dihydrofuran","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Schneider, Caroline C.; Caldeira, Helton; Gay, Bibiana M.; Back, Davi F.; Zeni, Gilson","Transmetalation of Z-telluroenynes: stereoselective synthesis of Z-enynols and their application in palladium-catalyzed cyclization.","Organic letters","2010","12","5","936","939","10.1021/ol902896x","","","0.71073","MoKα","","0.1299","0.0547","","","0.1183","0.1519","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503488","19.9856","0.0008","9.602","0.0003","9.2975","0.0003","90","","90","","90","","1784.21","0.11","100","","100","","","","","","","","LOC ETH Zurich","5","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Carreira, Erick M.","Expanding the azaspiro[3.3]heptane family: synthesis of novel highly functionalized building blocks.","Organic letters","2012","14","1","66","69","10.1021/ol2028459","","","0.71073","MoKα","","0.0633","0.0423","","","0.1041","0.1185","","","","","","0.816","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503672","18.5732","0.0008","5.5273","0.0002","17.2799","0.0007","90","","90","","90","","1773.95","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Aminopyridine-2-carbaldehyde thiosemicarbazone","","- C7 H9 N5 S -","- C7 H9 N5 S -","- C56 H72 N40 S8 -","8","2","","Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K.","Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation.","Journal of medicinal chemistry","2009","52","16","5032","5043","10.1021/jm900528d","","","0.71073","MoKα","","0.0498","0.0364","","","0.0831","0.0893","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503850","11.599","0.002","11.489","0.002","17.193","0.003","90","","90","","90","","2291.2","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N O -","- C12 H17 N O -","- C96 H136 N8 O8 -","8","2","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0304","0.0292","","","0.0773","0.0794","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503855","12.3843","0.0009","25.9281","0.0019","6.9484","0.0005","90","","90","","90","","2231.1","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C100 H116 N4 O20 -","4","1","","Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.","Organic letters","2009","11","9","1939","1942","10.1021/ol900371m","","","0.71073","MoKα","","0.0506","0.0414","","","0.0987","0.1032","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504088","10.096","0.003","14.429","0.004","13.147","0.004","90","","90","","90","","1915.2","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H18 Cl3 N O3 -","- C18 H18 Cl3 N O3 -","- C72 H72 Cl12 N4 O12 -","4","1","","Hermange, Philippe; Tran Huu Dau, Marie Elise; Retailleau, Pascal; Dodd, Robert H.","Highly diastereoselective three-component vinylogous Mannich reaction between isoquinolines, acyl/sulfonyl chlorides, and silyloxyfurans.","Organic letters","2009","11","18","4044","4047","10.1021/ol901452d","","","0.71069","MoKα","","0.0851","0.0653","","","0.1826","0.2016","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504091","21.2315","0.0008","6.5111","0.0002","10.7839","0.0004","90","","90","","90","","1490.77","0.09","296","2","296","2","","","","","","","kgroup","3","P n a 21","P 2c -2n","33","oxetane","4,7-diphenyl-3-oxatricyclo[4.2.2.0(4,8)]decane","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Valiulin, Roman A.; Kutateladze, Andrei G.","Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems.","Organic letters","2009","11","17","3886","3889","10.1021/ol901456m","","x-ray","0.71073","MoKα","","0.1436","0.0427","","","0.1322","0.1663","","","","","","0.478","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504123","15.884","0.0009","4.626","0.0002","19.4181","0.001","90","","90","","90","","1426.83","0.13","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H12 N2 O -","- C21 H12 N2 O -","- C84 H48 N8 O4 -","4","1","","Haag, Benjamin; Peng, Zhihua; Knochel, Paul","Preparation of polyfunctional indazoles and heteroarylazo compounds using highly functionalized zinc reagents.","Organic letters","2009","11","19","4270","4273","10.1021/ol901585k","","","0.71073","MoKα","","0.0641","0.0415","","","0.0895","0.1008","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504172","10.6","0.002","14.995","0.003","8.7526","0.0018","90","","90","","90","","1391.2","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H20 N2 Si -","- C13 H19 N2 Si -","- C52 H76 N8 Si4 -","4","1","","Zhang, Hui-Jun; Meng, Tianhao; Demerseman, Bernard; Bruneau, Christian; Xi, Zhenfeng","Hydride-induced novel cyclization of dienedinitriles leading to multifunctionalized cyclopentadienes.","Organic letters","2009","11","19","4458","4461","10.1021/ol901840c","","","0.71073","MoKα","","0.1428","0.0752","","","0.1755","0.1954","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504235","10.3835","0.0013","18.167","0.002","9.6747","0.0012","90","","90","","90","","1825","0.4","90","","90","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Onodera, Gen; Kato, Minoru; Kawano, Ryo; Kometani, Yuri; Takeuchi, Ryo","Highly regio- and stereoselective addition of 1,3-diketones to internal alkynes catalyzed by cationic iridium complex.","Organic letters","2009","11","21","5038","5041","10.1021/ol9020095","","","0.71073","MoKα","","0.0439","0.0402","","","0.069","0.0694","","","","","","2.737","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504280","13.075","0.003","16.85","0.01","9.3","0.01","90","","90","","90","","2049","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","cyclophane","6,6'-Dimethylsulfanyl-4-oxo-4,5-dihydro -monoxa[4.3](1,4)(1',5')-1H-pyrazolo[3,4-d] pyrimidinophane","","- C18 H20 N8 O2 S2 -","- C18 H20 N8 O2 S2 -","- C72 H80 N32 O8 S8 -","4","1","","Avasthi, Kamlakar; Ansari, Amantullah; Tewari, Ashish K.; Kant, Ruchir; Maulik, Prakas R.","Pyrazolo[3,4-d]pyrimidinophanes: convenient synthesis of a new class of cyclophane and X-ray structure of the first representative.","Organic letters","2009","11","22","5290","5293","10.1021/ol902264t","","","0.71073","MoKα","","0.0511","0.0398","","","0.0913","0.097","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504299","10.595","0.002","7.426","0.003","13.938","0.002","90","","90","","90","","1096.6","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H7 Br N4 O2 -","- C10 H7 Br N4 O2 -","- C40 H28 Br4 N16 O8 -","4","1","","Patriciu, Oana-Irina; Fînaru, Adriana-Luminita; Massip, Stéphane; Leger, Jean-Michel; Jarry, Christian; Guillaumet, Gérald","Smiles rearrangement as a tool for the preparation of dihydrodipyridopyrazines.","Organic letters","2009","11","23","5502","5505","10.1021/ol902369v","","","1.5418","CuKα","","0.0385","0.0376","","","0.0951","0.0963","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504485","12.8059","0.0004","8.5365","0.0003","14.3248","0.0006","90","","90","","90","","1565.95","0.1","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H23 N O -","- C18 H23 N O -","- C72 H92 N4 O4 -","4","1","","Dunet, Guillaume; Mayer, Peter; Knochel, Paul","Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.","Organic letters","2008","10","1","117","120","10.1021/ol702607t","","","0.71073","MoKα","","0.0456","0.0352","","","0.0781","0.0839","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504797","7.341","0.003","12.153","0.004","15.548","0.005","90","","90","","90","","1387.1","0.9","173.1","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Jin, Tienan; Yamamoto, Yoshinori","Gold-catalyzed synthesis of polycyclic enones from carbon tethered 1,3-enynyl carbonyls via tandem heteroenyne metathesis and Nazarov reaction.","Organic letters","2008","10","14","3137","3139","10.1021/ol801265s","","","0.7107","MoKα","","","0.0357","","","","0.089","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504866","17.355","0.003","5.8125","0.0009","16.063","0.003","90","","90","","90","","1620.4","0.5","208","2","208","2","","","","","","","","5","P n a 21","P 2c -2n","33","BJA-692","","","- C17 H17 B I P -","- C17 H17 B I P -","- C68 H68 B4 I4 P4 -","4","1","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","0.71073","MoKα","","0.0384","0.0354","","","0.0922","0.0947","","","","","","1.07","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1504868","17.726","0.003","5.6695","0.0011","15.75","0.003","90","","90","","90","","1582.8","0.5","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H17 B Br P -","- C17 H17 B Br P -","- C68 H68 B4 Br4 P4 -","4","1","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","0.71073","MoKα","","0.0437","0.0368","","","0.084","0.0874","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505002","8.9484","0.0016","13.398","0.002","14.421","0.003","90","","90","","90","","1728.9","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C72 H64 N16 O12 -","4","1","","Loeppky, Richard N.; Shi, Jianzheng; Barnes, Charles L.; Geddam, Sailaja","A diazonium ion cascade from the nitrosation of tolazoline, an imidazoline-containing drug.","Chemical research in toxicology","2008","21","2","295","307","10.1021/tx700317g","","","0.7107","MoKα","","0.0399","0.0338","","","0.0776","0.0801","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505036","23.5231","0.001","10.6395","0.0004","8.1822","0.0003","90","","90","","90","","2047.79","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(OC-6-33)-Diamminebis(3-carboxypropanoato)dichloroplatinum(IV) diethyl ether solvate","","- C12 H26 Cl2 N2 O9 Pt -","- C12 H26 Cl2 N2 O9 Pt -","- C48 H104 Cl8 N8 O36 Pt4 -","4","1","","Reithofer, Michael R.; Valiahdi, Seied M.; Jakupec, Michael A.; Arion, Vladimir B.; Egger, Alexander; Galanski, Markus; Keppler, Bernhard K.","Novel di- and tetracarboxylatoplatinum(IV) complexes. Synthesis, characterization, cytotoxic activity, and DNA platination.","Journal of medicinal chemistry","2007","50","26","6692","6699","10.1021/jm070897b","","","0.71073","MoKα","","0.0288","0.0267","","","0.064","0.0649","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505253","13.0891","0.0012","10.9312","0.0009","14.527","0.0013","90","","90","","90","","2078.5","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4,5exo-dibromo-endo-tricyclo[6.2.1.0^2,7^]undeca-3,9-diene","","- C11 H12 Br2 -","- C11 H12 Br2 -","- C88 H96 Br16 -","8","2","","Su, Kuan-Jen; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","Cope rearrangement versus a novel tandem retro-Diels-Alder-Diels-Alder reaction with role reversal.","Organic letters","2007","9","1","113","115","10.1021/ol0626793","","","0.71073","MoKα","","0.0387","0.0277","","","0.0627","0.0669","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505254","12.886","0.003","11.131","0.002","7.185","0.001","90","","90","","90","","1030.6","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","rac-(1R,2S,6R,7R,10R)-1,10-dibromotricyclo[5.2.2.0^2,6^]undeca-3,8-diene","","- C11 H12 Br2 -","- C11 H12 Br2 -","- C44 H48 Br8 -","4","1","","Su, Kuan-Jen; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","Cope rearrangement versus a novel tandem retro-Diels-Alder-Diels-Alder reaction with role reversal.","Organic letters","2007","9","1","113","115","10.1021/ol0626793","","","0.71073","MoKα","","0.0255","0.0199","","","0.0369","0.0378","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505274","7.434","0.003","11.335","0.005","16.304","0.007","90","","90","","90","","1373.8","1","210","2","210","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","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","","0.0348","0.0307","","","0.0826","0.0851","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505471","19.635","0.0016","4.6545","0.0004","14.8606","0.0012","90","","90","","90","","1358.13","0.19","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H10 N2 O3 -","- C18 H10 N2 O3 -","- C72 H40 N8 O12 -","4","1","","Liu, Wei; Buck, Matthew; Chen, Nan; Shang, Muhong; Taylor, Nicholas J.; Asoud, Jalil; Wu, Xing; Hasinoff, Brian B.; Dmitrienko, Gary I.","Total synthesis of isoprekinamycin: structural evidence for enhanced diazonium ion character and growth inhibitory activity toward cancer cells.","Organic letters","2007","9","15","2915","2918","10.1021/ol0712374","","","0.71073","MoKα","","0.0414","0.0344","","","0.0656","0.0673","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505541","18.3891","0.0003","9.4372","0.0001","18.776","0.0003","90","","90","","90","","3258.42","0.08","100","2","100","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C136 H168 N8 O40 -","8","2","","Isambert, Nicolas; Cruz, Montse; Arévalo, María José; Gómez, Elena; Lavilla, Rodolfo","Enol esters: versatile substrates for Mannich-type multicomponent reactions.","Organic letters","2007","9","21","4199","4202","10.1021/ol701717z","","x-ray","0.7107","MoKα","","0.0412","0.036","","","0.087","0.0896","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505790","12.593","0.0002","9.041","0.0001","36.256","0.0006","90","","90","","90","","4127.87","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C192 H224 N16 O16 -","8","2","","Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F.","Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters","Macromolecules","2006","39","21","7250","","10.1021/ma061028j","","","0.71073","MoKα","","0.1141","0.0495","","","0.1044","0.1247","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505819","11.972","0.002","12.187","0.003","17.556","0.003","90","","90","","90","","2561.5","0.9","298.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H32 N2 O7 S -","- C25 H32 N2 O7 S -","- C100 H128 N8 O28 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0407","","","","0.0514","","","","","","1.377","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505882","14.582","0.002","18.285","0.003","5.944","0.001","90","","90","","90","","1584.9","0.4","223.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.035","","","","0.038","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505909","23.964","0.009","6.054","0.002","11.16","0.004","90","","90","","90","","1619.1","1","218","2","218","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H14 N4 -","- C22 H14 N4 -","- C88 H56 N16 -","4","1","","Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak","Photodimerizable ditopic ligand.","Organic letters","2006","8","10","1987","1990","10.1021/ol060253i","","","0.71073","MoKα","","0.0425","0.0383","","","0.094","0.0966","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505929","16.0866","0.0008","17.8033","0.001","7.1185","0.0004","90","","90","","90","","2038.7","0.19","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C88 H72 N8 O24 -","4","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","0.71069","MoKα","","0.1443","0.0534","","","0.1173","0.1467","","","","","","0.814","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506101","6.2294","0.0005","17.619","0.0011","14.104","0.002","90","","90","","90","","1548","0.3","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H17 N2 -","- C21 H17 N2 -","- C84 H68 N8 -","4","1","","Magnus, Philip; Turnbull, Rachel","Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles.","Organic letters","2006","8","16","3497","3499","10.1021/ol061191z","","","0.71073","MoKα","","0.1653","0.0677","","","0.112","0.1409","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506147","15.6987","0.0002","7.7054","0.0001","29.3165","0.0003","90","","90","","90","","3546.26","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H30 O4 -","- C18 H30 O4 -","- C144 H240 O32 -","8","2","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","","0.71073","MoKα","","0.1069","0.0958","","","0.2327","0.2434","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506212","10.371","0.004","16.811","0.007","14.108","0.006","90","","90","","90","","2459.7","1.7","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 9","Pentacoordinate 1,2-thiazetidine","","- C25 H15 F12 N O2 S -","- C25 H15 F12 N O2 S -","- C100 H60 F48 N4 O8 S4 -","4","1","","Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki","A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide.","Organic letters","2006","8","20","4625","4627","10.1021/ol0618499","","","0.7107","MoKα","","0.0249","0.0243","","","0.0569","0.0572","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506243","20.5365","0.0005","5.2508","0.0001","26.4263","0.0006","90","","90","","90","","2849.63","0.11","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0508","0.0382","","0.0535","0.0468","0.0468","","","","","","1.1106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506288","9.2416","0.001","8.772","0.0009","15.567","0.0016","90","","90","","90","","1262","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H10 Cl3 N3 O S -","- C7 H10 Cl3 N3 O S -","- C28 H40 Cl12 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.0397","0.0389","","","0.0952","0.0958","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506307","13.007","0.003","14.042","0.003","16.794","0.003","90","","90","","90","","3067.3","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H24 Cl2 N10 -","- C32 H24 Cl2 N10 -","- C128 H96 Cl8 N40 -","4","1","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.054","0.0353","","","0.0648","0.0675","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506404","16.8983","0.0004","13.5687","0.0003","7.4844","0.0002","90","","90","","90","","1716.08","0.07","100","2","100","2","","","","","","","synthesized","4","P n a 21","P 2c -2n","33","","","","- C20 H23 B N2 -","- C20 H23 B N2 -","- C80 H92 B4 N8 -","4","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","","0.0436","0.0391","","","0.1052","0.1091","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506447","15.0286","0.0003","7.485","0.0002","39.3182","0.0008","90","","90","","90","","4422.87","0.17","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","6beta_in_paper","","","- C24 H36 O2 -","- C24 H36 O2 -","- C192 H288 O16 -","8","2","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0419","0.0341","","","0.0825","0.0877","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506518","8.3581","0.0007","23.522","0.002","7.8293","0.0007","90","","90","","90","","1539.2","0.2","183","2","183","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C80 H64 N16 -","4","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","","0.0383","0.0379","","","0.1007","0.1012","","","","","","0.916","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506531","11.8742","0.0004","14.427","0.0003","11.6716","0.0005","90","","90","","90","","1999.45","0.12","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","N-benzyl-(2-benzyl,4-tolyl)aniline","","- C27 H25 N -","- C27 H25 N -","- C108 H100 N4 -","4","1","","Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Preparation of 2- and 4-arylmethyl N-substituted and N,N-disubstituted anilines via a ""green"", multicomponent reaction.","Organic letters","2005","7","8","1525","1528","10.1021/ol0501828","","","0.71073","MoKα","","0.0828","0.0432","","","0.0822","0.0958","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506555","27.093","0.004","6.392","0.0013","10.547","0.0007","90","","90","","90","","1826.5","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Bromo-5-(4-chlorohenyl)-2-(4-tertbutylphenyl)furan","","- C20 H18 Br Cl O -","- C20 H18 Br Cl O -","- C80 H72 Br4 Cl4 O4 -","4","1","","Sniady, Adam; Wheeler, Kraig A.; Dembinski, Roman","5-Endo-dig electrophilic cyclization of 1,4-disubstituted but-3-yn-1-ones: regiocontrolled synthesis of 2,5-disubstituted 3-bromo- and 3-iodofurans.","Organic letters","2005","7","9","1769","1772","10.1021/ol050372i","","","0.71073","MoKα","","0.1168","0.0502","","","0.0877","0.1065","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506668","7.0914","0.0014","24.615","0.005","6.3857","0.0013","90","","90","","90","","1114.7","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Kopp, Felix; Sklute, Genia; Polborn, Kurt; Marek, Ilan; Knochel, Paul","Stereoselective functionalization of cyclopropane derivatives using bromine/magnesium and sulfoxide/magnesium exchange reactions.","Organic letters","2005","7","17","3789","3791","10.1021/ol051452p","","","0.71073","MoKα","","0.0556","0.034","","","0.078","0.0916","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506742","12.8244","0.0017","16.1213","0.0018","12.0929","0.0014","90","","90","","90","","2500.2","0.5","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H38 Cl2 N2 O2 -","- C24 H38 Cl2 N2 O2 -","- C96 H152 Cl8 N8 O8 -","4","1","","Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN","Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.","Organic letters","2005","7","24","5413","5415","10.1021/ol052071e","","","0.71069","MoKα","","0.054","0.0462","","","0.1344","0.1706","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506788","11.07","0.005","18.754","0.009","8.287","0.004","90","","90","","90","","1720.4","1.4","207","2","207","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis","Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.","Organic letters","2005","7","26","5921","5923","10.1021/ol0527072","","","0.71073","MoKα","","0.0869","0.0544","","","0.0935","0.1032","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506819","10.208","0.002","22.983","0.005","5.041","0.001","90","","90","","90","","1182.7","0.4","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.","Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†","The Journal of Physical Chemistry B","2004","108","25","8531","","10.1021/jp0367528","","","0.71073","MoKα","","0.087","0.0419","","","0.1034","0.1213","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506910","21.838","0.001","9.844","0.002","12.235","0.001","90","","90","","90","","2630.2","0.6","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H39 N O2 Si2 -","- C22 H39 N O2 Si2 -","- C88 H156 N4 O8 Si8 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","1.54178","CuKα","","0.0691","0.0522","","","0.1398","0.1528","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507047","11.4843","0.0002","23.5263","0.0003","8.0456","0.0001","90","","90","","90","","2173.79","0.05","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3,4:15,16-Dibenzo-5,8,11,14-tetraoxa-bicyclo[16.3.1]docosa-1,3,15,17-tetraen-22-one","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.073","0.0528","","","0.1377","0.1497","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507146","9.947","0.0011","20.244","0.002","7.9602","0.0009","90","","90","","90","","1602.9","0.3","188","2","188","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Yuan, Feng-Quan; Han, Fu-She","Synthesis of Densely Substituted α,β,γ,δ-Dienones via the Pd(II)-Catalyzed Allylation, H-Migration, and Aerobic Oxidative δ-Hydride Elimination Cascade.","Organic letters","2012","14","5","1218","1221","10.1021/ol203444g","","","0.71073","MoKα","","0.0543","0.0409","","","0.0907","0.0984","","","","","","0.972","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507187","12.2001","0.0002","25.9168","0.0005","7.495","0.0001","90","","90","","90","","2369.83","0.07","183","2","183","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(azulen-2-ylethynyl)thiophene","","- C16 H10 S -","- C16 H10 S -","- C128 H80 S8 -","8","2","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0496","0.0399","","","0.0937","0.1013","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507285","15.107","0.002","6.18","0.001","19.739","0.003","90","0","90","0","90","0","1842.9","0.5","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","","Benati, Luisa; Calestani, Gianluca; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Strazzari, Samantha","Generation and intramolecular reactivity of acyl radicals from alkynylthiol esters under reducing tin-free conditions.","Organic letters","2003","5","8","1313","1316","10.1021/ol034252r","","","1.54178","CuKα","","0.1","0.0882","","0.2615","","0.2287","","","1.015","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507315","12.099","0.002","7.654","0.0015","14.849","0.003","90","","90","","90","","1375.1","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","methylene[1,2,3,4,5,6,7]-heptathiocane","","","- C6 H11 N S7 -","- C6 H11 N S7 -","- C24 H44 N4 S28 -","4","1","","Konstantinova, Lidia S.; Rakitin, Oleg A.; Rees, Charles W.; Souvorova, Ljudmila I.; Golovanov, Denis G.; Lyssenko, Konstantin A.","Unprecedented conversion of triethylamine and disulfur dichloride into a thienopentathiepin and a heptathiocane.","Organic letters","2003","5","11","1939","1942","10.1021/ol034513x","","","0.71073","MoKα","","0.0768","0.0439","","","0.1072","0.1212","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507354","12.556","0.004","9.61","0.003","10.967","0.003","90","","90","","90","","1323.3","0.7","98","2","98","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Chao, Wenchun; Waldman, Jacob H.; Weinreb, Steven M.","Studies of intramolecular cyclizations of N-acyliminium ions derived from acyclic ketones: unanticipated stereochemical and structural results.","Organic letters","2003","5","16","2915","2918","10.1021/ol035046m","","","0.71073","MoKα","","0.0886","0.062","","","0.1395","0.1522","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507376","26.465","0.005","9.181","0.001","9.973","0.002","90","","90","","90","","2423.2","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H25 N3 O4 -","- C28 H25 N3 O4 -","- C112 H100 N12 O16 -","4","1","","Wang, Yuanhua; Zhu, Yanxin; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao; Doyle, Michael P.","A novel three-component reaction catalyzed by dirhodium(II) acetate: decomposition of phenyldiazoacetate with arylamine and imine for highly diastereoselective synthesis of 1,2-diamines.","Organic letters","2003","5","21","3923","3926","10.1021/ol035490p","","","0.71073","MoKα","","0.0763","0.0366","","","0.0632","0.072","","","","","","0.838","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507411","23.8484","0.0009","20.3212","0.0006","15.0907","0.0004","90","","90","","90","","7313.4","0.4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H104 N6 O10 S2 -","- C72 H104 N6 O10 S2 -","- C288 H416 N24 O40 S8 -","4","1","","Tumcharern, Gamolwan; Tuntulani, Thawatchai; Coles, Simon J.; Hursthouse, Michael B.; Kilburn, Jeremy D.","A novel ditopic receptor and reversal of anion binding selectivity in the presence and absence of bound cation.","Organic letters","2003","5","26","4971","4974","10.1021/ol035894h","","","0.71073","MoKα","","0.0864","0.053","","","0.1214","0.1389","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507928","17.8247","0.0005","11.4245","0.0003","35.8766","0.0012","90","","90","","90","","7305.8","0.4","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H35 Cl Fe Ir N O4 P2 -","- C44 H35 Cl Fe Ir N O4 P2 -","- C352 H280 Cl8 Fe8 Ir8 N8 O32 P16 -","8","2","","Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J.","Iridium-catalysed direct C-C coupling of methanol and allenes.","Nature chemistry","2011","3","4","287","290","10.1038/nchem.1001","","","0.71069","MoKα","","0.0959","0.0761","","","0.1271","0.1333","","","","","","1.322","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507973","14.2619","0.0002","11.1469","0.0001","15.0388","0.0002","90","","90","","90","","2390.81","0.05","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H25 B10 Cl2 P Pt S -","- C16 H25 B10 Cl2 P Pt S -","- C64 H100 B40 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0286","0.0217","","","0.0394","0.0413","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508225","17.084","0.0004","13.9877","0.0004","7.6984","0.0002","90","","90","","90","","1839.65","0.08","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H21 B F4 Fe N2 O2 -","- C16 H21 B F4 Fe N2 O2 -","- C64 H84 B4 F16 Fe4 N8 O8 -","4","1","","Mthiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Bala, Muhammad D.","Reactions of N-heterocyclic ligands with substitutionally labile organometallic complexes, [(eta5-C5R5)Fe(CO)2E]BF4","Inorganica Chimica Acta","2012","390","","83","94","10.1016/j.ica.2012.04.003","","","0.71073","MoKα","","0.0418","0.0342","","","0.0836","0.087","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508260","19.5","0.012","6.929","0.004","26.031","0.016","90","","90","","90","","3517","4","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C192 H128 N16 -","8","2","","Chang, Chih-Wei; Bhongale, Chetan Jagdish; Lee, Chi-Shen; Huang, Wei-Kai; Hsu, Chain-Shu; Diau, Eric Wei-Guang","Relaxation Dynamics and Structural Characterization of Organic Nanobelts with Aggregation-Induced Emission","The Journal of Physical Chemistry C","2012","116","28","15146","","10.1021/jp304117n","","","0.71073","MoKα","","0.1099","0.0948","","","0.2384","0.2529","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508372","22.43","0.004","8.1478","0.0016","13.522","0.003","90","","90","","90","","2471.2","0.9","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H9 F N2 O S -","- C14 H9 F N2 O S -","- C112 H72 F8 N16 O8 S8 -","8","2","","Saeed, Aamer; Flörke, Ulrich","Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one","Crystals","2011","1","4","254","259","10.3390/cryst1040254","","","0.71073","MoKα","","0.1001","0.0649","","","0.1439","0.1638","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508479","9.208","0.0004","14.0485","0.0007","10.3826","0.0006","90","","90","","90","","1343.08","0.12","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","0.7107","MoKα","","0.0454","0.0372","","","0.0868","0.092","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508600","11.4787","0.0015","12.459","0.0016","27.785","0.004","90","","90","","90","","3973.6","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H16 N O3 -","- C26 H21 N O3 -","- C208 H168 N8 O24 -","8","2","","Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun","Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones.","Organic letters","2012","14","19","4994","4997","10.1021/ol3018787","","","0.71073","MoKα","","0.0762","0.0528","","","0.1273","0.1433","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508676","13.339","0.003","18.975","0.004","6.8571","0.0015","90","","90","","90","","1735.6","0.7","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H19 B F2 N4 O -","- C19 H19 B F2 N4 O -","- C76 H76 B4 F8 N16 O4 -","4","1","","Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu","Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes.","Organic letters","2012","14","20","5226","5229","10.1021/ol302347m","","","0.71073","MoKα","","0.074","0.0492","","","0.1006","0.1248","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508880","21.8315","0.0006","10.7382","0.0003","29.5987","0.0007","90","","90","","90","","6938.9","0.3","170","2","170","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C69 H78 F12 Fe2 N2 O15 P2 -","- C69 H78 F12 Fe2 N2 O15 P2 -","- C276 H312 F48 Fe8 N8 O60 P8 -","4","1","","Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe","Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry.","Organic letters","2013","15","3","534","537","10.1021/ol303355z","","","0.71073","MoKα","","0.0553","0.0467","","","0.1081","0.1126","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509215","5.4306","","6.9802","","5.3751","","90","","90","","90","","203.752","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ag (Al O2)","","- Ag Al O2 -","- Ag Al O2 -","- Ag4 Al4 O8 -","4","1","","Li, J.; Sleight, A.W.","Structure of beta - Ag Al O2 and structural systematics of tetrahedral M M' X2 compounds","Journal of Solid State Chemistry","2004","177","","889","894","10.1016/j.jssc.2003.09.036","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509336","13.975","","5.249","","7.609","","90","","90","","90","","558.156","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ag Fe (Se O3)2","","- Ag Fe O6 Se2 -","- Ag Fe O6 Se2 -","- Ag4 Fe4 O24 Se8 -","4","1","","Giester, G.","Syntheses and crystal structures of the new compounds Ba Fe2 (Se O3)4, Ag Fe (Se O3)2 and Rb Fe (Se O4) (Se O3)","Journal of Alloys Compd.","2000","308","","71","76","10.1016/S0925-8388(00)00848-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509403","6.9972","","8.2733","","6.6939","","90","","90","","90","","387.509","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ag In S2 -","- Ag In S2 -","- Ag4 In4 S8 -","4","1","","Delgado, G.; Pineda, C.; Mora, A.J.; Tinoco, T.","Simultaneous Rietveld refinement of three phases in the Ag-In-S semiconducting system from x-ray powder diffraction","Materials Research Bulletin","2001","36","","2507","2517","10.1016/S0025-5408(01)00741-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509501","12.832","","6.331","","10.727","","90","","90","","90","","871.455","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ag Sb O (Si O4)","","- Ag O5 Sb Si -","- Ag O5 Sb Si -","- Ag8 O40 Sb8 Si8 -","8","2","","Belokoneva, E.L.; Mill', B.V.","Crystal structures of beta-NaSbOGeO4 and AgSbOSiO4 and migration paths of ions in structures of KTiOPO4 type","Zhurnal Neorganicheskoi Khimii","1994","39","","355","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509876","9.35141","","13.1552","","7.0866","","90","","90","","90","","871.791","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ag4 I2 (Se O4)","","- Ag4 I2 O4 Se -","- Ag4 I2 O4 Se -","- Ag16 I8 O16 Se4 -","4","1","","Pitzschke, D.; Cakmak, G.; Curda, J.; Jansen, M.","Ag4 I2 Se O4 and Ag3 I Te O4 - two new silver solid electrolytes","Zeitschrift fuer Anorganische und Allgemeine Chemie","2008","634","","1071","1076","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509986","15.298","","7.548","","10.699","","90","","90","","90","","1235.41","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ag8 (Sn S4) S2","","- Ag8 S6 Sn -","- Ag8 S6 Sn -","- Ag32 S24 Sn4 -","4","1","","Wang, N.","New data for Ag8 Sn S6 (canfieldite) and Ag8 Ge S6 (argyrodite)","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1978","1978","","269","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509988","15.095","","7.462","","10.641","","90","","90","","90","","1198.59","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ag8 Ti S6","","- Ag8 S6 Ti -","- Ag8 S6 Ti -","- Ag32 S24 Ti4 -","4","1","","Sato, A.; Ishii, M.; Adams, S.; Tansho, M.; Wada, H.; Onoda, M.","Phase transition and crystal structure of silver-ion conductor Ag12-n M(+n) S6 (M = Ti, Nb, Na)","Solid State Ionics","2002","154","","723","727","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511337","20.44","","4.53","","11.8","","90","","90","","90","","1092.6","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Mg2 (B O3)1.14 F0.58","","- B1.14 F0.58 Mg2 O3.42 -","- B1.14062 F0.578125 Mg2 O3.42188 -","- B18.25 F9.25 Mg32 O54.75 -","16","4","","Nikishova, L.V.; Brovkin, A.A.","The crystal structure of alpha-Mg2 B O3 F and the isomorphic substitution (3F)3 - (B O3)(3-)","Kristallografiya","1975","20","","740","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511766","18.571","0.003","7.464","0.001","14.617","0.003","90","","90","","90","","2026.1","0.6","292","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl2 N2 O12 Ru -","- C11 H24 Cl2 N2 O12 Ru -","- C44 H96 Cl8 N8 O48 Ru4 -","4","1","","Rosario Vilaplana; M. Angustias Romero; Miguel Quirós; Juan M. Salas; Francisco González-Vílchez","Synthesis, Structure and Antitumour Properties of a New 1,2-Propilenediaminetetraacetate-Ruthenium(III) Compound","Metal Based Drugs","1995","2","","211","219","10.1155/MBD.1995.211","","","0.71073","MoKα","","0.044","0.033","","","","0.033","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511826","12.4315","0.0005","25.1447","0.0012","7.779","0.0003","90","","90","","90","","2431.61","0.18","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H25 N9 O2 -","- C26 H25 N9 O2 -","- C104 H100 N36 O8 -","4","1","","Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki","Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity","The Journal of Physical Chemistry A","2013","117","17","3614","","10.1021/jp401528c","","","1.54187","CuKα","","","0.0476","","","","0.081","","","","","","0.869","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511876","29.183","0.003","9.2281","0.0011","20.653","0.002","90","","90","","90","","5561.9","1","193","2","193","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C38 H32 -","- C38 H32 -","- C304 H256 -","8","2","","Fix, Aaron G.; Deal, Parker E.; Vonnegut, Chris L.; Rose, Bradley D.; Zakharov, Lev N.; Haley, Michael M.","Indeno[2,1-c]fluorene: a new electron-accepting scaffold for organic electronics.","Organic letters","2013","15","6","1362","1365","10.1021/ol400318z","","","0.71073","MoKα","","0.0419","0.0372","","","0.0972","0.1021","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511884","12.5875","0.0008","17.8684","0.0012","6.0173","0.0004","90","","90","","90","","1353.4","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","5","P n a 21","P 2c -2n","33","","","","- C17 H14 Cl N O -","- C17 H14 Cl N O -","- C68 H56 Cl4 N4 O4 -","4","1","","Ladd, Carolyn L.; Sustac Roman, Daniela; Charette, André B.","Silver-promoted, palladium-catalyzed direct arylation of cyclopropanes: facile access to spiro 3,3'-cyclopropyl oxindoles.","Organic letters","2013","15","6","1350","1353","10.1021/ol4003338","","","1.54178","CuKα","","0.0299","0.0299","","","0.0791","0.0791","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511940","12.492","0.001","12.566","0.001","11.401","0.001","90","","90","","90","","1789.7","0.3","123.2","","123.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H21 Cl N2 O2 -","- C20 H21 Cl N2 O2 -","- C80 H84 Cl4 N8 O8 -","4","1","","Soeta, Takahiro; Tabatake, Yuhta; Fujinami, Shuhei; Ukaji, Yutaka","N-Heterocyclic Carbene Catalyzed Oxidative Coupling of Aldehydes with Carbodiimides under Aerobic Conditions: Efficient Synthesis ofN-Acylureas","Organic Letters","2013","15","9","2088","","10.1021/ol400672c","","","0.7107","MoKα","","","0.0253","","","","0.0317","","","","","","1.179","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511952","17.7602","0.0007","10.5542","0.0004","21.7285","0.0008","90","","90","","90","","4072.9","0.3","100","2","100","2","","","","","","","chemical synthesis","5","P n a 21","P 2c -2n","33","in,in-bis(triarylphosphine) hexaoxide","","","- C42 H39 O7.5 P2 S4.5 -","- C42 H39 O7.5 P2 S4.5 -","- C168 H156 O30 P8 S18 -","4","1","","Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A.","A Congestedin,in-Diphosphine","Organic Letters","2013","15","9","2179","","10.1021/ol400728m","","","1.54178","CuKα","","0.1015","0.0843","","","0.2269","0.2412","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511979","15.399","0.005","10.82","0.004","9.613","0.003","90","","90","","90","","1601.7","0.9","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","OH1","2-(3-(2-(4-Hydroxyphenyl)vinyl)-5,5-dimethylcyclohex-2-en-1-ylidene)-malononit rile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil","Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations","The Journal of Physical Chemistry C","2013","117","18","9416","","10.1021/jp400648q","","","0.71075","MoKα","","0.0447","0.0443","","","0.1278","0.1283","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511980","15.393","0.003","10.798","0.002","9.5855","0.0019","90","","90","","90","","1593.2","0.5","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","OH1","2-(3-(2-(4-Hydroxyphenyl)vinyl)-5,5-dimethylcyclohex-2-en-1-ylidene)-malononit rile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil","Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations","The Journal of Physical Chemistry C","2013","117","18","9416","","10.1021/jp400648q","","neutron","","neutron","","0.0511","0.0309","","","0.0433","0.0464","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511981","15.3711","0.0001","10.7478","0.0001","9.5826","0.0001","90","","90","","90","","1583.1","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","OH1","2-(3-(2-(4-Hydroxyphenyl)vinyl)-5,5-dimethylcyclohex-2-en-1-ylidene)-malononit rile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil","Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations","The Journal of Physical Chemistry C","2013","117","18","9416","","10.1021/jp400648q","","","1.54178","CuKα","","0.0289","0.0288","","","0.0814","0.0814","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511983","7.054","0.004","12.84","0.006","8.232","0.004","90","","90","","90","","745.6","0.7","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0452","0.0332","","","0.0689","0.0719","","","","","","0.892","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511984","6.971","0.002","12.783","0.005","8.247","0.006","90","","90","","90","","734.9","0.6","296","2","296","2","","","100000","","","","","3","P n a 21","P 2c -2n","33","pyrazole","","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.1583","0.0949","","","0.2124","0.24","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511985","6.8805","0.0008","12.6682","0.0017","8.209","0.003","90","","90","","90","","715.5","0.3","296","2","296","2","","","250000","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0594","0.0388","","","0.102","0.1168","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511994","6.8012","0.0003","12.5689","0.0005","8.2278","0.0004","90","","90","","90","","703.34","0.05","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0349","0.0305","","","0.0764","0.0778","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511995","6.8045","0.0003","12.5768","0.0006","8.2278","0.0004","90","","90","","90","","704.13","0.06","110","2","110","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0353","0.0301","","","0.073","0.0744","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511996","6.8163","0.0003","12.5868","0.0005","8.2275","0.0003","90","","90","","90","","705.88","0.05","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0361","0.0304","","","0.0745","0.0762","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511997","6.8245","0.0003","12.5972","0.0005","8.2273","0.0004","90","","90","","90","","707.3","0.05","130","2","130","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0367","0.031","","","0.0769","0.0784","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511998","6.8306","0.0004","12.6103","0.0006","8.2284","0.0004","90","","90","","90","","708.76","0.06","140","2","140","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0362","0.0305","","","0.0706","0.072","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511999","6.8442","0.0003","12.6228","0.0005","8.2283","0.0004","90","","90","","90","","710.87","0.05","150","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0376","0.0311","","","0.073","0.0746","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512000","6.8508","0.0004","12.6373","0.0006","8.2299","0.0004","90","","90","","90","","712.51","0.06","160","2","160","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0375","0.0312","","","0.0725","0.0741","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512001","6.8614","0.0004","12.65","0.0006","8.2274","0.0005","90","","90","","90","","714.11","0.07","170","2","170","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0386","0.0317","","","0.072","0.0736","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512002","6.8794","0.0004","12.6652","0.0006","8.2302","0.0004","90","","90","","90","","717.09","0.06","180","2","180","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0388","0.0315","","","0.0706","0.0723","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512003","6.8902","0.0004","12.6822","0.0006","8.2327","0.0004","90","","90","","90","","719.4","0.06","190","2","190","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0386","0.0308","","","0.0691","0.0709","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512004","6.903","0.0004","12.6968","0.0006","8.2321","0.0004","90","","90","","90","","721.51","0.06","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0419","0.0331","","","0.0717","0.0737","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512005","6.9155","0.0004","12.7076","0.0006","8.2322","0.0004","90","","90","","90","","723.44","0.06","210","2","210","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0436","0.0339","","","0.0744","0.0768","","","","","","0.918","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512006","6.9234","0.0004","12.7234","0.0006","8.2337","0.0004","90","","90","","90","","725.3","0.06","220","2","220","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0458","0.0353","","","0.0792","0.0815","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512007","6.9397","0.0004","12.7371","0.0006","8.2303","0.0004","90","","90","","90","","727.49","0.06","230","2","230","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0463","0.0348","","","0.0873","0.0897","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512008","6.9533","0.0005","12.7634","0.0009","8.2281","0.0006","90","","90","","90","","730.23","0.09","240","2","240","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0491","0.0348","","","0.0927","0.096","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512009","6.9692","0.0007","12.7818","0.0011","8.2245","0.0007","90","","90","","90","","732.63","0.12","250","2","250","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0508","0.0372","","","0.0981","0.1012","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512010","6.9782","0.0007","12.798","0.001","8.2237","0.0007","90","","90","","90","","734.43","0.11","260","2","260","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0531","0.0365","","","0.0947","0.0987","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512011","6.9934","0.0006","12.8124","0.0009","8.2255","0.0006","90","","90","","90","","737.02","0.1","270","2","270","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0523","0.0355","","","0.0913","0.095","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512012","7.01","0.0006","12.831","0.0009","8.2285","0.0006","90","","90","","90","","740.11","0.1","280","2","280","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.055","0.0351","","","0.0805","0.0847","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512013","7.0252","0.0006","12.8396","0.0009","8.2185","0.0006","90","","90","","90","","741.31","0.1","290","2","290","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0571","0.0359","","","0.0797","0.0842","","","","","","0.887","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512014","7.0396","0.001","12.8637","0.0016","8.22","0.001","90","","90","","90","","744.36","0.17","300","2","300","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0624","0.0364","","","0.0694","0.0748","","","","","","0.853","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512015","7.0814","0.0011","12.8818","0.0018","8.2503","0.0008","90","","90","","90","","752.6","0.17","310","2","310","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0842","0.037","","","0.0663","0.0741","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512110","36.9495","0.0008","10.683","0.0002","5.611","0.0001","90","","90","","90","","2214.84","0.07","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","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","","0.0641","0.0488","","","0.1272","0.1536","","","","","","1.194","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512208","22.827","0.002","4.0137","0.0004","13.1725","0.0012","90","","90","","90","","1206.87","0.19","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Rout, Saroj Kumar; Guin, Srimanta; Banerjee, Arghya; Khatun, Nilufa; Gogoi, Anupal; Patel, Bhisma K.","Directing group assisted copper-catalyzed chemoselective o-aroylation of phenols and enols using alkylbenzenes.","Organic letters","2013","15","16","4106","4109","10.1021/ol401682a","","","0.71073","MoKα","","0.0495","0.0418","","","0.1201","0.1287","","","","","","0.979","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512231","9.513","0.005","18.292","0.005","9.488","0.005","90","0.005","90","0.005","90","0.005","1651","1.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Li, Mengru; Lin, Shaoxia; Dong, Zhiyong; Zhang, Xintong; Liang, Fushun; Zhang, Jingping","Organocatalyzed anion relay leading to functionalized 2,3-dihydrofurans.","Organic letters","2013","15","15","3978","3981","10.1021/ol401881n","","","0.71069","MoKα","","0.065","0.0416","","","0.0847","0.0956","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512397","16.2065","0.0003","9.4982","0.0002","14.2443","0.0002","90","","90","","90","","2192.66","0.07","295","","295","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H22 N2 O3 Pd S -","- C23 H22 N2 O3 Pd S -","- C92 H88 N8 O12 Pd4 S4 -","4","1","","Luciano Canovesea; Fabiano Visentina; Carlo Levia; Claudio Santoa; Valerio Bertolasib","The interaction between heteroditopic pyridine-nitrogen NHC with novel sulfur NHC ligands in palladium(0) derivatives: Synthesis and structural characterization of a bis-carbene palladium(0) olefin complex and formation in solution of an alkene-alkyne mixed intermediate as a consequence of the ligands hemilability","Inorganica Chimica Acta","2012","390","","105","118","10.1016/j.ica.2012.04.018","","","0.71073","MoKα","","0.0413","0.0285","","","0.0637","0.0677","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512428","19.0056","0.0019","9.6048","0.001","23.971","0.002","90","","90","","90","","4375.8","0.7","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H32 N8 O10 Zn2 -","- C48 H32 N8 O10 Zn2 -","- C192 H128 N32 O40 Zn8 -","4","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","","0.1417","0.0529","","","0.0913","0.1139","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512455","14.207","0.005","23.962","0.005","12.772","0.005","90","0.005","90","0.005","90","0.005","4348","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H34 N4 O14 Zn2 -","- C48 H34 N4 O14 Zn2 -","- C192 H136 N16 O56 Zn8 -","4","1","","Lian-Jie Li; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Qiang Fu","Syntheses, characterization and crystal structure of d10 coordination architectures: From 1D to 3D complexes based on mixed ligands","Inorganica Chimica Acta","2012","392","","77","83","10.1016/j.ica.2012.05.037","","","0.71069","MoKα","","0.0568","0.0368","","","0.0735","0.0804","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512917","18.967","0.013","14.068","0.01","8.31","0.006","90","","90","","90","","2217","3","203","2","203","2","","","","","","","","6","P n a 21","P 2c -2n","33","(3) (u-TFA)2Sr(H-TFA)","","","- C16 H11 F9 N2 O6 Sr -","- C16 H10 F9 N2 O6 Sr -","- C64 H40 F36 N8 O24 Sr4 -","4","1","","Timothy J. Boyle; Pratt, III, Harry D.; Todd M. Alam; Mark A. Rodriguez; Paul G. Clem","Synthesis and characterization of solvated trifluoroacetate alkaline earth derivatives","Polyhedron","2007","26","17","5095","5103","10.1016/j.poly.2007.07.009","","","0.71073","MoKα","","0.1123","0.054","","","0.1016","0.1221","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512927","12.3556","0.0014","9.9655","0.0011","12.5633","0.0014","90","","90","","90","","1546.9","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H15 Br3 La O5 -","- C5 H15 Br3 La O5 -","- C20 H60 Br12 La4 O20 -","4","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","","0.0464","0.0458","","","0.1135","0.1139","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513017","13.2675","0.0019","10.2369","0.0014","24.371","0.004","90","","90","","90","","3310","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H37 Cu N7 O10 -","- C31 H37 Cu N7 O10 -","- C124 H148 Cu4 N28 O40 -","4","1","","Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao","Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes","Inorganica Chimica Acta","2013","397","","32","37","10.1016/j.ica.2012.11.013","","","0.71073","MoKα","","0.0501","0.0452","","","0.1243","0.1283","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513018","13.169","0.002","10.2444","0.0016","24.607","0.004","90","","90","","90","","3319.7","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H37 N7 Ni O10 -","- C31 H37 N7 Ni O10 -","- C124 H148 N28 Ni4 O40 -","4","1","","Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao","Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes","Inorganica Chimica Acta","2013","397","","32","37","10.1016/j.ica.2012.11.013","","","0.71073","MoKα","","0.0553","0.0487","","","0.1309","0.1363","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513019","13.1567","0.0011","10.2929","0.0009","24.723","0.002","90","","90","","90","","3348","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H37 Co N7 O10 -","- C31 H37 Co N7 O10 -","- C124 H148 Co4 N28 O40 -","4","1","","Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao","Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes","Inorganica Chimica Acta","2013","397","","32","37","10.1016/j.ica.2012.11.013","","","0.71073","MoKα","","0.0601","0.0489","","","0.1245","0.1321","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513130","16.7078","0.0013","7.0015","0.0005","20.3649","0.0016","90","","90","","90","","2382.3","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.043","0.037","","","0.096","0.103","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513132","15.9505","0.0004","14.6663","0.0004","5.851","0.0001","90","","90","","90","","1368.75","0.06","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C19 H18 -","- C19 H18 -","- C76 H72 -","4","1","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.028","0.028","","","0.075","0.075","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513401","41.2339","0.0011","13.6303","0.0004","15.0005","0.0004","90","","90","","90","","8430.7","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C81 H108 F15 N15 O9 -","- C81 H108 F15 N15 O9 -","- C324 H432 F60 N60 O36 -","4","1","","Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir","Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor.","Organic letters","2014","16","2","366","369","10.1021/ol403186k","","","0.71073","MoKα","","0.042","0.036","","","0.0836","0.0874","","","","","","1.003","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1513402","41.238","0.002","13.6194","0.0008","14.9845","0.0008","90","","90","","90","","8415.8","0.8","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C81 H108 F15 N15 O9 -","- C81 H108 F15 N15 O9 -","- C324 H432 F60 N60 O36 -","4","1","","Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir","Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor.","Organic letters","2014","16","2","366","369","10.1021/ol403186k","","","0.71073","MoKα","","0.0434","0.0351","","","0.0763","0.0802","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513450","18.6292","0.0013","9.3181","0.0008","12.5012","0.0009","90","","90","","90","","2170.1","0.3","101","2","101","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H33 Cu N P -","- C22 H33 Cu N P -","- C88 H132 Cu4 N4 P4 -","4","1","","Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh","Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates.","Organic letters","2014","16","4","1264","1267","10.1021/ol500310u","","","0.71073","MoKα","","0.1178","0.0629","","","0.1114","0.1249","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513619","16.9437","0.0006","16.1245","0.0005","23.5059","0.0008","90","","90","","90","","6422","0.4","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C62 H106 Mg2 N6 Na4 -","- C62 H106 Mg2 N6 Na4 -","- C248 H424 Mg8 N24 Na16 -","4","1","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.54184","CuKα","","0.0903","0.0575","","","0.1371","0.1523","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513640","22.956","0.002","9.4115","0.0019","22.7754","0.0008","90","","90","","90","","4920.6","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C60 H62 N2 O6 -","- C60 H62 N2 O6 -","- C240 H248 N8 O24 -","4","1","","Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank","Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state","Chemical Science","2014","5","2","608","","10.1039/c3sc52344f","","","0.71073","MoKα","","0.0661","0.0537","","","0.1315","0.1382","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513678","17.333","0.0014","8.3372","0.0006","14.4037","0.001","90","","90","","90","","2081.5","0.3","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl2 F3 N O4 P S -","- C14 H25 Cl2 F3 N O4 P S -","- C56 H100 Cl8 F12 N4 O16 P4 S4 -","4","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0945","0.053","","","0.1155","0.13","","","","","","0.97","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513757","15.5952","0.0005","13.4176","0.0005","8.2215","0.0002","90","","90","","90","","1720.35","0.09","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","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","","0.0467","0.0407","","","0.0995","0.1053","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513774","20.4107","0.0007","8.6349","0.0003","16.7557","0.0006","90","","90","","90","","2953.1","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C128 H216 N8 O16 -","8","2","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0239","0.0239","","","0.0617","0.0617","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513805","31.15","0.006","16.287","0.003","14.681","0.003","90","","90","","90","","7448","3","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C64 H90 N4 O34 S4 -","- C64 H66 N4 O34 S4 -","- C256 H264 N16 O136 S16 -","4","1","","Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu","Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution.","The journal of physical chemistry. B","2014","118","9","2433","2441","10.1021/jp4110008","","","0.71073","MoKα","","0.0742","0.0697","","","0.1952","0.2011","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513910","15.833","0.004","10.199","0.002","11.895","0.003","90","","90","","90","","1920.8","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H26 Cl N O5 -","- C19 H26 Cl N O5 -","- C76 H104 Cl4 N4 O20 -","4","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71073","MoKα","","0.0581","0.0478","","","0.1118","0.1169","","","","","","1.169","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514333","48.93","0.02","5.783","0.002","7.453","0.003","90","","90","","90","","2108.9","1.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives","The Journal of Physical Chemistry C","2014","118","16","8531","","10.1021/jp412279m","","","0.71073","MoKα","","0.0798","0.0536","","","0.1486","0.1807","","","","","","0.852","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514374","10.919","0.0007","23.8725","0.0014","4.8372","0.0003","90","","90","","90","","1260.88","0.13","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O4 Pd -","- C13 H12 N2 O4 Pd -","- C52 H48 N8 O16 Pd4 -","4","1","","Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J.","N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation","Catalysis Science & Technology","2014","4","8","2526","","10.1039/c4cy00296b","","","0.71073","MoKα","","0.062","0.0486","","","0.0985","0.1057","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514695","16.349","0.003","11.424","0.003","20.499","0.005","90","","90","","90","","3828.6","1.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","tert-Butyl-2-cyano-2-(3-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetate","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C160 H216 N8 O32 -","8","2","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.16","0.0787","","","0.1325","0.1553","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514713","23.0013","0.0019","5.0777","0.0003","11.154","0.0009","90","","90","","90","","1302.72","0.17","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0608","0.0419","","","0.0912","0.1053","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514894","18.951","0.004","14.595","0.003","20.257","0.004","90","","90","","90","","5603","2","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C76 H68 N2 O2 -","- C76 H68 N2 O2 -","- C304 H272 N8 O8 -","4","1","","Brulé, Emilie; Guérineau, Vincent; Vermaut, Philippe; Prima, Frédéric; Balogh, Janos; Maron, Laurent; Slawin, Alexandra M. Z.; Nolan, Steven P.; Thomas, Christophe M.","Polymerization of cyclic esters using N-heterocyclic carbene carboxylate catalysts","Polymer Chemistry","2013","4","8","2414","","10.1039/c3py00108c","","","0.71075","MoKα","","","0.1013","","","","0.3161","","","","","","1.319","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515129","18.4575","0.0002","16.9731","0.0002","17.726","0.0002","90","","90","","90","","5553.22","0.11","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","Ti(NAr)2(NHAr)2{Li(py)}2","","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C230 H330 Li8 N22 O2 Ti4 -","4","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1352","0.065","","0.1332","0.0624","0.0557","","","","","","1.1681","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515182","19.372","0.013","5.761","0.004","24.488","0.016","90","","90","","90","","2733","3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.1562","0.0928","","","0.2324","0.2847","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515328","11.276","0.001","12.1","0.001","20.803","0.002","90","","90","","90","","2838.4","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","- C136 H168 Cl8 N8 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0611","0.039","","","0.0747","0.0808","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515495","21.9504","0.0013","8.4448","0.0005","18.7468","0.0011","90","","90","","90","","3475","0.4","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H56 Lu2 N2 -","- C38 H56 Lu2 N2 -","- C152 H224 Lu8 N8 -","4","1","","Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J.","(C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn","Chemical Science","2011","2","10","1992","","10.1039/c1sc00139f","","","0.71073","MoKα","","0.0173","0.0167","","","0.0405","0.0407","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515576","18.0449","0.0004","16.5511","0.0004","5.3798","0.0001","90","","90","","90","","1606.75","0.06","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Du, Juana; Espelt, Laura Ruiz; Guzei, Ilia A.; Yoon, Tehshik P.","Photocatalytic Reductive Cyclizations of Enones: Divergent Reactivity of Photogenerated Radical and Radical Anion Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","11","2115","2119","10.1039/C1SC00357G","","","1.54178","CuKα","","0.0292","0.0285","","","0.0786","0.0797","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516060","40.076","0.007","5.5575","0.0011","13.021","0.002","90","","90","","90","","2900.1","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","2","","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","","","0.71073","MoKα","","0.145","0.0533","","","0.079","0.1042","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516068","13.7232","0.0004","14.9269","0.0005","7.6655","0.0001","90","","90","","90","","1570.24","0.07","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C76 H104 N8 O4 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A.","Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine.","Organic letters","2012","14","22","5621","5623","10.1021/ol3026846","","","0.71073","MoKα","","0.0447","0.037","","0.0848","0.0824","0.0848","","","","","","1.0269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516116","8.6828","0.0002","21.4082","0.0004","11.2277","0.0002","90","","90","","90","","2087.04","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","(±)-andransinine","","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C96 H128 N8 O16 -","4","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","0.71073","MoKα","","0.0372","0.0352","","","0.0908","0.0923","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516244","17.088","0.002","10.053","0.003","13.654","0.002","90","","90","","90","","2345.6","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H28 O Si -","- C29 H28 O Si -","- C116 H112 O4 Si4 -","4","1","","Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G.","Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","6","469","480","10.1039/b502089a","","","0.71073","MoKα","","0.095","0.0555","","","0.1316","0.1616","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516415","9.657","0.005","11.141","0.009","14.651","0.012","90","","90","","90","","1576","2","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H14 F6 N2 O5 S2 -","- C7 H14 F6 N2 O5 S2 -","- C28 H56 F24 N8 O20 S8 -","4","1","","Nockemann, Peter; Binnemans, Koen; Thijs, Ben; Parac-Vogt, Tatjana N; Merz, Klaus; Mudring, Anja-Verena; Menon, Preethy Chirukandath; Rajesh, Ravindran Nair; Cordoyiannis, George; Thoen, Jan; Leys, Jan; Glorieux, Christ","Temperature-driven mixing-demixing behavior of binary mixtures of the ionic liquid choline bis(trifluoromethylsulfonyl)imide and water.","The journal of physical chemistry. B","2009","113","5","1429","1437","10.1021/jp808993t","","","0.71073","MoKα","","0.1943","0.0906","","","0.2137","0.2869","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516476","19.256","0.002","10.164","0.001","18.218","0.0018","90","","90","","90","","3565.6","0.6","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H62 Lu2 N2 O2 Si2 -","- C32 H62 Lu2 N2 O2 Si2 -","- C128 H248 Lu8 N8 O8 Si8 -","4","1","","Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang","Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene","Macromolecules","2014","47","11","3567","","10.1021/ma500740m","","","0.71073","MoKα","","0.0306","0.0245","","","0.0448","0.0466","","","","","","1.046","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1516557","21.1662","0.0011","7.9276","0.0011","21.8218","0.0004","90","","90","","90","","3661.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H24 B Mn N2 O2 -","- C18.002 H24.0045 B1.0005 Mn N2 O2 -","- C144.016 H192.036 B8.004 Mn8 N16 O16 -","8","2","","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","","0.0459","0.0413","","","0.1033","0.1056","","","","","","1.115","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516709","7.5251","0.0005","13.3225","0.0009","21.8161","0.0015","90","","90","","90","","2187.1","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu","Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation.","Organic letters","2014","16","13","3592","3595","10.1021/ol501605h","","","0.71073","MoKα","","0.0442","0.0369","","","0.083","0.0877","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516711","7.9519","0.0017","12.792","0.003","17.476","0.004","90","","90","","90","","1777.7","0.7","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H22 O -","- C24 H22 O -","- C96 H88 O4 -","4","1","","Bhojgude, Sachin Suresh; Thangaraj, Manikandan; Suresh, Eringathodi; Biju, Akkattu T.","Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes.","Organic letters","2014","16","13","3576","3579","10.1021/ol501579d","","","0.71073","MoKα","","0.0733","0.0704","","","0.1562","0.1577","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516839","16.219","0.007","15.484","0.009","5.7192","0.0014","90","","90","","90","","1436.3","1.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H19 N4 O -","- C14 H19 N4 O -","- C56 H76 N16 O4 -","4","1","","Price, Jacquelyn T.; Paquette, Joseph A.; Harrison, Christopher S.; Bauld, Reg; Fanchini, Giovanni; Gilroy, Joe B.","6-Oxoverdazyl radical polymers with tunable electrochemical properties","Polymer Chemistry","2014","","","","","10.1039/c4py00829d","","","0.71073","MoKα","","0.0378","0.0313","","","0.0735","0.0767","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516883","6.1079","0.0012","7.2239","0.0014","28.327","0.005","90","","90","","90","","1249.9","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 I O2 -","- C14 H13 I O2 -","- C56 H52 I4 O8 -","4","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","","0.0309","0.0252","","","0.047","0.0494","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516984","29.541","0.004","8.9741","0.0011","12.7826","0.0016","90","","90","","90","","3388.7","0.8","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H21 Mo N O3 S3 -","- C13 H21 Mo N O3 S3 -","- C104 H168 Mo8 N8 O24 S24 -","8","2","","Takahiko Ogawa; Koji Koike; Jun Matsumoto; Yuji Kajita; Hideki Masuda","Synthesis and characterization of tricarbonyl-molybdenum complexes bearing monoaza-trithia-macrocyclic ligands","Inorganica Chimica Acta","2013","401","","101","106","","","","0.7107","MoKα","","","0.0306","","","","0.0665","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517169","12.3102","0.0005","8.7578","0.0004","13.2384","0.0005","90","","90","","90","","1427.24","0.1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C7 H9 Cl3 Fe Ga O4 P -","- C7 H9 Cl3 Fe Ga O4 P -","- C28 H36 Cl12 Fe4 Ga4 O16 P4 -","4","1","","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","","0.0137","0.013","","","0.0305","0.0308","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517174","28.6201","0.0015","15.3682","0.0008","7.0307","0.0004","90","","90","","90","","3092.4","0.3","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 -","- C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 -","- C60 H144 B8 Cl12 Fe4 Ga4 N8 O12 Si16 -","4","1","","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","","0.0517","0.0416","","","0.0927","0.0965","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517358","22.231","0.003","12.5844","0.0017","12.8929","0.0017","90","","90","","90","","3607","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","XPhosAu(MeCN)PF6","(Acetonitrile)[2-dicyclohexylphosphino-2,4,6-triisopropylbiphenyl]gold(I) hexafluorophosphate","","- C35 H52 Au F6 N P2 -","- C35 H52 Au F6 N P2 -","- C140 H208 Au4 F24 N4 P8 -","4","1","","Lau, Vivian M.; Gorin, Craig F.; Kanan, Matthew W.","Electrostatic control of regioselectivity via ion pairing in a Au(i)-catalyzed rearrangement","Chem. Sci.","2014","5","12","4975","","10.1039/C4SC02058H","","","0.71073","MoKα","","0.0359","0.0313","","","0.0669","0.0682","","","","","","1.202","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517359","23.6604","0.0011","9.3856","0.0004","10.4813","0.0005","90","","90","","90","","2327.55","0.18","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd-alkyne cat","","","- C20 H35 Cl P2 Pd -","- C20 H35 Cl P2 Pd -","- C80 H140 Cl4 P8 Pd4 -","4","1","","Xue, Ya-Xin; Chen, Jia-Li; Jiang, Zhi-Qiang; Yu, Zhipeng; Liu, Na; Yin, Jun; Zhu, Yuan-Yuan; Wu, Zong-Quan","Living polymerization of arylisocyanide initiated by the phenylethynyl palladium(ii) complex","Polym. Chem.","2014","5","22","6435","","10.1039/C4PY01023J","","","0.71073","MoKα","","0.0374","0.0284","","","0.05","0.0552","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517489","7.2675","0.0004","12.9319","0.0006","9.6419","0.0005","90","","90","","90","","906.17","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3,3a,4-Tetrahydrofuro[3,2-c]isoquinolin-5(9bH)-one","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Webb, Nicola J.; Marsden, Stephen P.; Raw, Steven A.","Rhodium(III)-Catalyzed C-H Activation/Annulation with Vinyl Esters as an Acetylene Equivalent.","Organic letters","2014","16","18","4718","4721","10.1021/ol502095z","","","0.7107","MoKα","","0.0661","0.0529","","","0.1146","0.1307","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517564","8.7161","0.0004","44.918","0.002","5.2061","0.0003","90","","90","","90","","2038.24","0.18","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H19 F3 N2 O -","- C24 H19 F3 N2 O -","- C96 H76 F12 N8 O4 -","4","1","","Prieto, Alexis; Jeamet, Emeric; Monteiro, Nuno; Bouyssi, Didier; Baudoin, Olivier","Copper-Catalyzed β-Trifluoromethylation of Conjugated Hydrazones.","Organic letters","2014","16","18","4770","4773","10.1021/ol5022228","","","0.71069","MoKα","","0.0853","0.062","","0.0545","0.0466","0.0437","","","","","","1.2169","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517571","19.072","0.004","17.965","0.004","19.204","0.004","90","","90","","90","","6580","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C68 H76 Cd2 N8 O8 -","- C68 H76 Cd2 N8 O8 -","- C272 H304 Cd8 N32 O32 -","4","1","","Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan","A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","Inorganica Chimica Acta","2013","403","","25","34","","","","0.71073","MoKα","","0.096","0.0845","","","0.1816","0.1899","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517609","17.3392","0.0007","11.4434","0.0005","6.7896","0.0003","90","","90","","90","","1347.19","0.1","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H10 Cu N2 O8 -","- C13 H10 Cu N2 O8 -","- C52 H40 Cu4 N8 O32 -","4","1","","Niamh R. Kelly; Sandrine Goetz; Chris S. Hawes; Paul E. Kruger","Acid directed in situ oxidation and decarboxylation of 4,4',6,6'- tetra-methyl-2,2'-bipyridine: Synthesis and structural characterisation of 4,4',6-tri-carboxy-2,2'-bipyridine and its copper(II) coordination polymer","Inorganica Chimica Acta","2013","403","","102","109","","","","0.71073","MoKα","","0.0301","0.03","","","0.084","0.0841","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517721","11.2875","","6.6296","","5.2871","","90","","90","","90","","395.642","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Niobium Oxide Phosphate","","- Nb O5 P -","- Nb O5 P -","- Nb4 O20 P4 -","4","1","","Kaiser, U.; Schmidt, G.; Glaum, R.; Gruehn, R.","Beitraege zum thermischen Verhalten wasserfreier Phosphate. VII: Darstellung, Struktur und thermisches Verhalten von orthorhombischem NbPO5-d","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","607","","113","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518070","14.095","0.006","6.167","0.004","10.991","0.005","90","","90","","90","","955.4","0.9","","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ge2 Na2 Se5 -","- Ge2 Na2 Se5 -","- Ge8 Na8 Se20 -","4","1","","Eisenmann, Brigitte; Hansa, Jendy; Schafer, Herbert","Na2Ge2Se5, das erste schichtselenidogermanat","Revue de Chimie Minerale","1984","21","","817","823","","","x-ray","0.71069","MoKα","","","","","","0.062","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518224","31.63","0.009","5.1779","0.0015","12.978","0.004","90","","90","","90","","2125.5","1.1","110","","110","","","","","","","","","6","P n a 21","P 2c -2n","33","(EC)2:LiBF4","","","- C6 H8 B F4 Li O6 -","- C6 H8 B F4 Li O6 -","- C48 H64 B8 F32 Li8 O48 -","8","2","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.0807","0.0592","","","0.1345","0.1469","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518246","17.7761","0.0006","22.9437","0.0008","13.1111","0.0004","90","","90","","90","","5347.4","0.3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C51 H52 Cl4 F6 N4 O3 P Rh -","- C51 H52 Cl4 F6 N4 O3 P Rh -","- C204 H208 Cl16 F24 N16 O12 P4 Rh4 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0422","0.0348","","","0.0849","0.0889","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518261","7.4367","0.0003","10.056","0.0005","20.4018","0.0009","90","","90","","90","","1525.72","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C72 H64 Br4 N4 O8 -","4","1","","Dhanasekaran, Sivasankaran; Bisai, Vishnumaya; Unhale, Rajshekhar A.; Suneja, Arun; Singh, Vinod K.","A General Catalytic Route to Isoindolinones and Tetrahydroisoquinolines: Application in the Synthesis of (±)-Crispine A.","Organic letters","2014","16","23","6068","","10.1021/ol502842f","","","0.71073","MoKα","","0.0258","0.023","","","0.0552","0.0562","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1518324","20.213","0.018","11.155","0.006","13.117","0.003","90","","90","","90","","2958","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H32 Mn N6 O4 -","- C32 H32 Mn N6 O4 -","- C128 H128 Mn4 N24 O16 -","4","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","","0.3836","0.1061","","","0.1288","0.2295","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518422","26.688","0.006","18.145","0.005","9.062","0.002","90","","90","","90","","4388.3","1.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(9a-allyl-6,8-dimethoxy-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl)-4-methylbenzenesulfonamide","","- C23 H28 N2 O4 S -","- C23 H28 N2 O4 S -","- C184 H224 N16 O32 S8 -","8","2","","Xu, Hua-Dong; Jia, Zhi-Hong; Xu, Ke; Zhou, Hao; Shen, Mei-Hua","One-Pot Protocol to Functionalized Benzopyrrolizidine Catalyzed Successively by Rh2(OAc)4 and Cu(OTf)2: A Transition Metal-Lewis Acid Catalysis Relay.","Organic letters","2015","17","1","66","69","10.1021/ol503247t","","","0.71073","MoKα","","0.136","0.0785","","","0.1259","0.1555","","","","","","1.187","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518478","16.758","0.003","16.947","0.004","9.5046","0.0019","90","","90","","90","","2699.3","1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H35 F6 O6 Pd Sb -","- C22 H35 F6 O6 Pd Sb -","- C88 H140 F24 O24 Pd4 Sb4 -","4","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0404","0.033","","","0.062","0.067","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518488","14.969","0.008","7.307","0.004","12.761","0.007","90","","90","","90","","1395.8","1.3","113","2","113","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen","Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.","Organic letters","2015","17","2","218","221","10.1021/ol503285u","","","0.71073","MoKα","","0.0386","0.0342","","","0.0664","0.0684","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518501","23.3","0.002","7.0807","0.0007","11.6415","0.0013","90","","90","","90","","1920.6","0.3","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","[Se(IAd)]","","- C23 H32 N2 Se -","- C23 H32 N2 Se -","- C92 H128 N8 Se4 -","4","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","","0.0257","0.0238","","","0.0562","0.0568","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518576","15.0058","0.0002","16.0652","0.0002","9.235","0.0001","90","","90","","90","","2226.29","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H21 N5 O4 -","- C25 H21 N5 O4 -","- C100 H84 N20 O16 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0424","0.0393","","","0.1126","0.1165","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518681","24.5629","0.0003","15.6599","0.0002","11.5597","0.0001","90","","90","","90","","4446.47","0.09","291","2","291","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[(o-Cy2-PC6H4SO3B(C6F5)3)Ni(allyl)]","","- C46 H39 B F15 Ni O3 P S -","- C46 H39 B F15 Ni O3 P S -","- C184 H156 B4 F60 Ni4 O12 P4 S4 -","4","1","","Chen, Min; Zou, Wenping; Cai, Zhengguo; Chen, Changle","Norbornene homopolymerization and copolymerization with ethylene by phosphine-sulfonate nickel catalysts","Polym. Chem.","2015","6","14","2669","","10.1039/C5PY00010F","","","1.54184","CuKα","","0.0355","0.0332","","","0.0906","0.0937","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518685","18.809","0.01","10.08","0.005","20.725","0.011","90","","90","","90","","3929","4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C52 H48 N4 O4 -","- C52 H48 N4 O4 -","- C208 H192 N16 O16 -","4","1","","Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu","Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior.","Organic letters","2015","17","4","786","789","10.1021/ol503466e","","","0.71073","MoKα","","0.0366","0.0309","","","0.071","0.0741","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518786","7.4701","0.0002","19.7919","0.0005","11.1894","0.0003","90","","90","","90","","1654.32","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.036","0.0343","","","0.0966","0.0986","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518787","13.128","0.0006","37.8916","0.0017","10.29","0.0005","90","","90","","90","","5118.7","0.4","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H46 F6 Ir N4 O P -","- C58 H46 F6 Ir N4 O P -","- C232 H184 F24 Ir4 N16 O4 P4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0493","0.0467","","","0.121","0.1228","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518997","14.5121","0.0011","5.9558","0.0003","24.1332","0.0017","90","","90","","90","","2085.9","0.2","173.15","","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C88 H112 O24 -","8","2","","Qin, Yan; Zhang, Long; Lv, Jian; Luo, Sanzhong; Cheng, Jin-Pei","Bioinspired Organocatalytic Aerobic C-H Oxidation of Amines with an ortho-Quinone Catalyst.","Organic letters","2015","17","6","1469","1472","10.1021/acs.orglett.5b00351","","","0.71073","MoKα","","0.0477","0.0439","","","0.1068","0.1097","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519008","12.021","0.001","17.918","0.003","6.874","0.0007","90","","90","","90","","1480.6","0.3","","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Cu N2 O2 -","- C17 Cu N2 O2 -","- C68 Cu4 N8 O8 -","4","1","","Chen, B. H.; Yao, H. H.; Huang, W. T.; Chattopadhyay, P.; Lo, J. M.; Lu, T. H.","Syntheses and molecular structures of three Cu(II) complexes with tetradentate imine-phenols","Solid State Sciences","1999","1","","119","131","","","x-ray","0.7093","MoKα","","","0.043","","","0.069","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519085","10.3942","0.0008","9.5586","0.0008","6.3382","0.0005","90","","90","","90","","629.73","0.09","","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H5 N O3 -","","","4","1","","Damsgaard, Anders; Hazell, Rita; Bols, Mikael","Synthesis of Hydroxypiperidinecarboxylic Acids from Pyridinedicarboxylates","Acta Chemica Scandinavica","1999","53","","521","527","","","x-ray","0.71069","MoKα","","","0.027","","","0.046","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1519255","7.9054","0.0003","10.5443","0.0004","5.9511","0.0002","90","","90","","90","","496.07","0.03","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cl H5 O6 -","- Cl H5 O6 -","- Cl4 H20 O24 -","4","1","","Ward, Robert S.; Gelbrich, Thomas; Hursthouse, Michael B.","ClH5O6","Crystal Structure Report Archive","2000","","","825","","","","","0.71073","MoKα","","0.0376","0.0374","","","0.097","0.0971","","","","","","1.663","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519293","10.973","0.002","12.764","0.003","20.721","0.004","90","","90","","90","","2902.2","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 F O4 -","- C15 H19 F O4 -","- C120 H152 F8 O32 -","8","2","","Hursthouse, Michael B.; Light, Mark E.","(2S)-1-(4-Fluorophenyl)-2-hydroxy-2-((2S,5R)-5-(1-hydroxy-1-methylethyl)- tetrahydrofuran-2-yl)ethanone","Crystal Structure Report Archive","2001","","","121","","","","","0.71073","MoKα","","0.1088","0.0452","","","0.1013","0.1305","","","","","","0.882","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519301","23.868","0.005","8.339","0.0017","20.378","0.004","90","","90","","90","","4055.9","1.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 Cl Cu N4 O4 -","- C96 Cl12 Cu12 N48 O48 -","12","3","","Fallis, Ian A.; Coles, Simon J.; Hursthouse, Michael B.","C8H12ClCuN4O4","Crystal Structure Report Archive","2001","","","1044","","","","","0.71073","MoKα","","0.1177","0.0511","","","0.0774","0.0937","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519421","20.3421","0.0007","4.6595","0.0002","9.8133","0.0004","90","","90","","90","","930.14","0.06","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H8 F N O3 S -","- C8 H8 F N O3 S -","- C32 H32 F4 N4 O12 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","0.71073","MoKα","","0.083","0.059","","","0.1356","0.153","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519467","9.3133","0.0003","15.4441","0.0004","9.8424","0.0003","90","","90","","90","","1415.69","0.07","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.","(5,2'-Dimethyl-5'-oxo-octahydro-[2, 2']bifuranyl-5-yl)-hydroxy-acetic acid ethyl ester","Crystal Structure Report Archive","2002","","","27","","","","","0.71073","MoKα","","0.0435","0.034","","","0.0767","0.081","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519608","25.809","0.005","11.899","0.005","17.357","0.005","90","","90","","90","","5330","3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H46 Cl4 N16 Ni2 O21 -","- C44 H36 Cl4 N16 Ni2 O21 -","- C176 H144 Cl16 N64 Ni8 O84 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H46Cl4N16Ni2O21","Crystal Structure Report Archive","2004","","","989","","","","","0.71073","MoKα","","0.1288","0.081","","","0.172","0.1905","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519649","13.7778","0.0004","7.2709","0.0002","11.5488","0.0003","90","","90","","90","","1156.92","0.06","300.1","1","300.1","","","","","","","","","5","P n a 21","P 2c -2n","33","","","geschieberite","- H2 K2 O12 S2 U -","- K2 O12 S2 U -","- K8 O48 S8 U4 -","4","1","","Plášil, J.; Hloušek, J.; Kasatkin, A. V.; Škoda, R.; Novák, M.; Čejka, J.","Geschieberite, K~2~(UO~2~)(SO~4~)~2~(H~2~O)~2~, a new uranyl sulfate mineral from Jáchymov","Mineralogical Magazine","2015","79","1","205","216","10.1180/minmag.2015.079.1.16","","x-ray","0.7107","MoKα","","0.0346","0.0282","","","0.0648","0.0681","","","","1.53","1.53","1.46","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"1519692","14.8632","0.0005","7.9124","0.0002","18.9392","0.0004","90","","90","","90","","2227.32","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Kiang, Y.-H.; Bercot, Eric A.; Wu, Qiong; Liu, Jodi; Milburn, Robert R.; Cohen, Dawn E.; Borths, Christopher J.; Saw, Robert E.; Staples, Richard J.; Davis, Carl; Thiel, Oliver R.","Selection of a Suitable Physical Form and Development of a Crystallization Process for a PDE10A Inhibitor Exhibiting Enantiotropic Polymorphism","Organic Process Research & Development","2015","19","12","1849","","10.1021/acs.oprd.5b00031","","","0.71073","MoKα","","0.0466","0.0413","","","0.1006","0.106","","","","","","1.071","","","","has coordinates","173603","2020-10-21","18:00:00",""
"1519738","25.808","0.005","11.9889","0.0008","17.384","0.003","90","","90","","90","","5378.8","1.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H46 Cl4 Co2 N16 O21 -","- C44 H36 Cl4 Co2 N16 O21 -","- C176 H144 Cl16 Co8 N64 O84 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H46Cl4Co2N16O21","Crystal Structure Report Archive","2004","","","992","","","","","0.71073","MoKα","","0.0827","0.0568","","","0.1381","0.1512","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519752","14.7387","0.0012","10.7713","0.0009","23.365","0.002","90","","90","","90","","3709.3","0.5","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H12 Br F6 Fe N -","- C21 H12 Br F6 Fe N -","- C168 H96 Br8 F48 Fe8 N8 -","8","2","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C21H12BrF6FeN","Crystal Structure Report Archive","2005","","","1105","","","","","0.71073","MoKα","","0.0745","0.0523","","","0.1296","0.1409","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519792","7.8484","0.0006","8.3983","0.0007","24.1255","0.0018","90","","90","","90","","1590.2","0.2","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Huth, Susanne L.; Hursthouse, Michael B.","2,3-Dihydro-1,4-benzodioxin-5-ylmethanol","Crystal Structure Report Archive","2007","","","375","","","","","0.71073","MoKα","","0.1106","0.0938","","","0.2549","0.2736","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519793","9.8821","0.0004","10.9251","0.0005","7.1627","0.0003","90","","90","","90","","773.31","0.06","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C36 H40 N8 -","4","1","","Huth, Susanne L.; Hursthouse, Michael B.","1-Methyl-1H-indole-5-amine","Crystal Structure Report Archive","2007","","","376","","","","","0.71073","MoKα","","0.0414","0.0371","","","0.0982","0.1028","","","","","","0.931","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519823","15.4076","0.0003","12.9924","0.0004","9.38","0.0003","90","","90","","90","","1877.7","0.09","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 Cl N O2 S -","- C19 H28 Cl N O2 S -","- C76 H112 Cl4 N4 O8 S4 -","4","1","","Fry, F. H.; Male, Louise; Hursthouse, Michael B.","C19H28ClNO2S","Crystal Structure Report Archive","2007","","","332","","","","","0.71073","MoKα","","0.0743","0.0699","","","0.1726","0.1761","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519839","13.3686","0.0005","10.4704","0.0004","8.7799","0.0003","90","","90","","90","","1228.96","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","1","","Uslu, A.; Odlyha, M.; Kilic, A.; Shaw, R.A.; Davies, David B.; Light, Mark E.; Huth, Susanne. L.; Coles, Simon J.; Rutherford, J.S.; Hursthouse, Michael B.","2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene","Crystal Structure Report Archive","2007","","","299","","","","","0.71073","MoKα","","0.0286","0.0253","","","0.0567","0.0579","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519840","13.4804","0.0014","10.6442","0.0009","8.8479","0.0007","90","","90","","90","","1269.6","0.2","274","2","274","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","1","","Kilic, A.; Odlyha, M.; Uslu, A.; Davies, David B.; Shaw, R.A.; Light, Mark E.; Coles, Simon J.; Huth, Susanne. L.; Hursthouse, Michael B.; Rutherford, J.S.","2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene","Crystal Structure Report Archive","2007","","","300","","","","","0.71073","MoKα","","0.038","0.0334","","","0.0871","0.0905","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519921","10.0265","0.0003","4.5597","0.0002","29.0659","0.0011","90","","90","","90","","1328.83","0.09","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-bis(3-Methoxyphenyl)urea","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis(3-Methoxyphenyl)urea","Crystal Structure Report Archive","2008","","","684","","","","","0.71073","MoKα","","0.0548","0.0433","","","0.1081","0.1155","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519970","23.756","0.0012","7.1036","0.0004","5.6944","0.0002","90","","90","","90","","960.95","0.08","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methylammonium toluene-4-sulphonate","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C32 H52 N4 O12 S4 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Methylammonium toluene-4-sulphonate","Crystal Structure Report Archive","2008","","","568","","","","","0.71073","MoKα","","0.0856","0.0516","","","0.0996","0.113","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519991","23.2125","0.0007","9.1684","0.0002","7.6006","0.0002","90","","90","","90","","1617.57","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl4 N3 O2 P3 -","- C9 H10 Cl4 N3 O2 P3 -","- C36 H40 Cl16 N12 O8 P12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C9H10Cl4N3O2P3","Crystal Structure Report Archive","2008","","","486","","","","","0.71073","MoKα","","0.0373","0.0309","","","0.0657","0.0684","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519993","11.5504","0.0007","22.2264","0.001","6.6309","0.0004","90","","90","","90","","1702.31","0.16","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Pimelic acid & 1,1,3,3-tetramethylbutylamine","","- C15 H31 N O4 -","- C15 H31 N O4 -","- C60 H124 N4 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,1,3,3-Tetramethylbutylammonium pimelate","Crystal Structure Report Archive","2008","","","508","","","","","0.71073","MoKα","","0.0883","0.0635","","","0.1191","0.1345","","","","","","1.111","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519995","11.4966","0.0019","18.702","0.003","3.9535","0.0005","90","","90","","90","","850","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Malonic Acid and 2-Methylimidazole","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","2-Methylimidazolium malonate","Crystal Structure Report Archive","2008","","","515","","","","","0.71073","MoKα","","0.1277","0.0802","","","0.1212","0.1429","","","","","","1.163","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520178","9.0662","0.0003","10.342","0.0004","11.738","0.0004","90","","90","","90","","1100.59","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-bis-Phenylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N,N'-bis-Phenylurea","Crystal Structure Report Archive","2008","","","681","","","","","0.71073","MoKα","","0.0691","0.05","","","0.0976","0.1075","","","","","","1.08","","","","has coordinates","137625","2020-10-21","18:00:00",""
"1520183","10.5129","0.0004","17.0435","0.0004","4.0675","0.0001","90","","90","","90","","728.8","0.04","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(3-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-hydroxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","1375","","","","","0.71073","MoKα","","0.0322","0.0306","","","0.0694","0.0708","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520187","10.5957","0.0003","7.6655","0.0003","9.2544","0.0002","90","","90","","90","","751.65","0.04","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(4-methoxyphenyl)formamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-methoxyphenyl)formamide","Crystal Structure Report Archive","2008","","","540","","","","","0.71073","MoKα","","0.0313","0.0287","","","0.0692","0.0705","","","","","","1.053","","","","has coordinates","137634","2020-10-21","18:00:00",""
"1520188","10.5129","0.0004","17.0435","0.0004","4.0675","0.0001","90","","90","","90","","728.8","0.04","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(3-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-hydroxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","542","","","","","0.71073","MoKα","","0.0322","0.0306","","","0.0701","0.0715","","","","","","1.05","","","","has coordinates","137635","2020-10-21","18:00:00",""
"1520192","10.4056","0.0016","22.888","0.004","4.6392","0.0009","90","","90","","90","","1104.9","0.3","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Glutaric acid & 1,2-dimethylimidazole","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","1,2-Dimethylimidazolium glutarate","Crystal Structure Report Archive","2008","","","471","","","","","0.71073","MoKα","","0.1527","0.0793","","","0.1898","0.2225","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520205","14.7643","0.0007","13.349","0.0006","10.3953","0.0003","90","","90","","90","","2048.8","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H28 Cl N O2 S -","- C22 H28 Cl N O2 S -","- C88 H112 Cl4 N4 O8 S4 -","4","1","","Dobbs, Adrian; Stephenson, Richard; Hursthouse, Michael B.","C22H28ClNO2S","Crystal Structure Report Archive","2008","","","445","","","","","0.71073","MoKα","","0.0832","0.0504","","","0.1017","0.1143","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520242","9.6978","0.0004","12.3874","0.0004","6.5757","0.0002","90","","90","","90","","789.94","0.05","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(4-chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-chlorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1387","","","","","0.71073","MoKα","","0.0407","0.0315","","","0.0721","0.0771","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520261","22.318","0.004","10.108","0.003","9.029","0.007","90","","90","","90","","2036.9","1.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Cl F N4 O3 -","- C20 H20 Cl F N4 O3 -","- C80 H80 Cl4 F4 N16 O12 -","4","1","","Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C.","A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors","RSC Advances","2015","5","64","51717","51721","10.1039/C5RA07783D","","","0.71069","MoKα","","0.0974","0.0812","","","0.2212","0.2366","","","","","","1.059","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520563","35.9931","0.0011","12.0648","0.0004","11.369","0.0004","90","","90","","90","","4937","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48.75 H55.04 Cl2.25 F3 O12 S -","- C48.747 H54.93 Cl2.252 F3 O12 S -","- C194.988 H219.72 Cl9.008 F12 O48 S4 -","4","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","","","1.54178","CuKα","","0.0752","0.075","","","0.2026","0.2029","","","","","","1.156","","","","has coordinates,has disorder","140261","2020-10-21","18:00:00",""
"1520604","18.676","0.002","6.9445","0.0013","11.4529","0.0015","90","","90","","90","","1485.4","0.4","","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H22 Mo O6 -","","","4","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","","","0.03","","","0.065","","","","","","","","","","","","176429","2020-10-21","18:00:00",""
"1520684","28.508","0.002","5.4891","0.0004","8.1976","0.0007","90","","90","","90","","1282.79","0.17","147","2","147","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 Cl O3 -","- C13 H17 Cl O3 -","- C52 H68 Cl4 O12 -","4","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","","0.0594","0.0445","","","0.0831","0.0885","","","","","","1.039","","","","has coordinates","154783","2020-10-21","18:00:00",""
"1520911","5.27078","","6.46916","","4.98401","","90","","90","","90","","169.942","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Mg Si N2","","- Mg N2 Si -","- Mg N2 Si -","- Mg4 N8 Si4 -","4","1","","Bruls, R.J.; Loong, C.-K.; Metselaar, R.; Hintzen, H.T.","Anisotropic thermal expansion of Mg Si N2 from 10 to 300 K as measured by neutron diffraction","Journal of Physics and Chemistry of Solids","2000","61","","1285","1293","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521062","24.47559","","6.7516","","5.4572","","90","","90","","90","","901.799","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","Fun, H.-K.; Yang, P.; Sasaki, M.; Inoue, M.; Kadomatsu, H.","Rietveld refinement of the crystal structure of gamma-(Mo4 O11)","Powder Diffraction","1999","14","","284","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521639","14.709","","8.436","","11.461","","90","","90","","90","","1422.14","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Gd (Re O4)3 (H2 O)3","","- Gd H6 O15 Re3 -","- Gd O15 Re3 -","- Gd4 O60 Re12 -","4","1","","Mujica, C.; Llanos, J.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Synthesis, crystal structure, magnetic properties and thermal stability of Gd (Re O4)3 (H2 O)3","Boletin de la Sociedad Chilena de Quimica","2000","45","","329","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521869","6.052","","5.936","","8.512","","90","","90","","90","","305.791","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","La Y O3","","- La O3 Y -","- La O3 Y -","- La4 O12 Y4 -","4","1","","Ruiz-Trejo, E.; Islam, M.S.; Kilner, J.A.","Atomistic simulation of defects and ion migration in La Y O3","Solid State Ionics","1999","123","","121","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522133","8.7305","","9.1651","","5.3539","","90","","90","","90","","428.397","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","K Zn (P O4)","","- K O4 P Zn -","- K O4 P Zn -","- K4 O16 P4 Zn4 -","4","1","","Wallez, G.; Lucas, F.; Souron, J.P.; Quarton, M.","Potassium-zinc monophosphate: an original polymorphic tridymite derivate","Materials Research Bulletin","1999","34","","1251","1261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523945","18.1083","0.0007","17.6737","0.0009","7.671","0.0003","90","","90","","90","","2455.03","0.18","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 N4 O4 Si -","- C24 H40 N4 O4 Si -","- C96 H160 N16 O16 Si4 -","4","1","","Kaßner, L.; Nagel, K.; Grützner, R.-E.; Korb, M.; Rüffer, T.; Lang, H.; Spange, S.","Polyamide 6/silica hybrid materials by a coupled polymerization reaction","Polym. Chem.","2015","6","35","6297","","10.1039/C5PY00815H","","","0.71073","MoKα","","0.0705","0.0562","","","0.1307","0.1384","","","","","","1.044","","","","has coordinates","155249","2020-10-21","18:00:00",""
"1525606","15.431","","4.606","","11.208","","90","","90","","90","","796.611","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na2 (Pd (N O2)4)","","- N4 Na2 O8 Pd -","- N4 Na2 O8 Pd -","- N16 Na8 O32 Pd4 -","4","1","","Baidina, I.A.; Gromilov, S.A.; Khranenko, S.P.; Vasil'ev, A.D.; Belyaev, A.V.","Synthesis and crystal structure of trans-(Rb2 (Pd (N O2)2 Cl2)). Structure refinement of Na2 (Pd (N O2)4)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","145","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525738","5.768","","6.806","","5.396","","90","","90","","90","","211.831","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(Cd0.8 Ge0.87) (O0.9 N1.1)","","- Cd0.8 Ge0.87 N1.1 O0.9 -","- Cd0.8 Ge0.87 N1.1 O0.9 -","- Cd3.2 Ge3.48 N4.4 O3.6 -","4","1","","Capitan, M.J.; Laurent, Y.; Louis dit Picard, C.; Odriozola, J.A.","The crystalline structure of germanium oxynitrides within the Cd Zn Ge O N family","Materials Science Forum","2000","325","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","146783","2020-10-21","18:00:00",""
"1525850","12.814","","6.408","","10.587","","90","","90","","90","","869.321","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K0.96 Ti0.96 Nb0.04 O (P O4)","","- K0.896 Nb0.04 O5 P Ti0.96 -","- K0.896 Nb0.04 O5 P Ti0.96 -","- K7.168 Nb0.32 O40 P8 Ti7.68 -","8","2","","Losevskaya, T.Yu.; Alekseeva, O.A.; Yanovskii, V.K.; Ivanov, S.A.; Sorokina, N.I.; Simonov, V.I.; Voronkova, V.I.; Stefanovich, S.Yu.; Eriksson, S.; Zver'kov, S.A.","Structure and properties of potassium titanyl phosphate crystals with niobium impurities","Kristallografiya","2000","45","","809","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525932","22.99","","10.293","","9.323","","90","","90","","90","","2206.16","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(N H3)2 B12 H10 (H2 O)0.5","","- B12 H17 N2 O0.5 -","- B12 N2 O0.5 -","- B96 N16 O4 -","8","2","","Dudenkov, I.V.; Zhizhin, K.Yu.; Goeva, L.V.; Chernyavskii, A.S.; Katser, S.B.; Sergienko, V.S.; Solntsev, K.A.; Kuznetsov, N.T.","Synthesis and crystal structure of 1,7-(N H3)2 B12 H10 * 0.5(H2 O)","Zhurnal Neorganicheskoi Khimii","2000","45","","2016","2019","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525975","13.151","","6.852","","10.361","","90","","90","","90","","933.636","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(Ru (N O) (N H3)3 Cl (H2 O)) Cl2","","- Cl3 H11 N4 O2 Ru -","- Cl3 H11 N4 O2 Ru -","- Cl12 H44 N16 O8 Ru4 -","4","1","","Emel'yanov, V.A.; Vasil'ev, A.D.; Baidina, I.A.; Gromilov, S.A.; Belyaev, A.V.","Synthesis and crystal structure of nitrosoruthenium triammino complex (Ru N O (N H3)3 Cl (H2 O)) Cl2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2000","41","","1242","1247","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1526180","5.514","","4.8761","","11.7961","","90","","90","","90","","317.16","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sb (Sb0.5 Nb0.5) O4","","- Nb0.5 O4 Sb1.5 -","- Nb0.5 O4 Sb1.5 -","- Nb2 O16 Sb6 -","4","1","","Ok, K.M.; Bhuvanesh, N.S.P.; Halasyamani, P.S.","Sb Sbx M1-x O4 (M = Nb(V) or Ta(V)): solid solution behavior and second-harmonic generating properties","Journal of Solid State Chemistry","2001","161","","57","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","147310","2020-10-21","18:00:00",""
"1526182","5.5019","","4.8762","","11.8038","","90","","90","","90","","316.677","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sb (Sb0.5 Ta0.5) O4","","- O4 Sb1.5 Ta0.5 -","- O4 Sb1.5 Ta0.5 -","- O16 Sb6 Ta2 -","4","1","","Ok, K.M.; Bhuvanesh, N.S.P.; Halasyamani, P.S.","Sb Sbx M1-x O4 (M = Nb(V) or Ta(V)): solid solution behavior and second-harmonic generating properties","Journal of Solid State Chemistry","2001","161","","57","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","147312","2020-10-21","18:00:00",""
"1526299","16.29059","","15.0494","","5.17904","","90","","90","","90","","1269.71","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Na2 K (Al3 Si3 O12) (D2 O)0.59","","- Al3 D1.18 K Na2 O12.59 Si3 -","- Al3 D1.18 K Na2 O12.59 Si3 -","- Al12 D4.72 K4 Na8 O50.36 Si12 -","4","1","","Healey, A.M.; Weller, M.T.; Johnson, G.M.","The synthesis and characterisation of JBW-type zeolites. Part A: sodium/potassium aluminosilicate, Na2 K (Al3 Si3 O12) * 0.5(H2 O)","Microporous and Mesoporous Materials","2000","37","","153","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526802","5.395","","6.367","","5.005","","90","","90","","90","","171.922","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Li (Ga O2)","","- Ga Li O2 -","- Ga Li O2 -","- Ga4 Li4 O8 -","4","1","","Kuz'micheva, G.M.; Gaister, A.V.; Rybakov, V.B.; Zharikov, E.V.","Structure and properties of Li Ga O2 crystals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","2001","37","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526804","5.3956","","6.3675","","5.0024","","90","","90","","90","","171.865","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li (Ga0.9 Cr0.1) O1.97","","- Cr0.1 Ga0.9 Li O1.97 -","- Cr0.1 Ga0.9 Li O1.97 -","- Cr0.4 Ga3.6 Li4 O7.88 -","4","1","","Kuz'micheva, G.M.; Rybakov, V.B.; Gaister, A.V.; Zharikov, E.V.","Structure and properties of Li Ga O2 crystals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","2001","37","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526806","5.3995","","6.3996","","5.006","","90","","90","","90","","172.981","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li (Ga0.967 V0.033) O2","","- Ga0.967 Li O2 V0.033 -","- Ga0.967 Li O2 V0.033 -","- Ga3.868 Li4 O8 V0.132 -","4","1","","Kuz'micheva, G.M.; Gaister, A.V.; Rybakov, V.B.; Zharikov, E.V.","Structure and properties of Li Ga O2 crystals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","2001","37","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526808","5.395","","6.367","","5.0039","","90","","90","","90","","171.884","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li (Ga0.82 V0.18) O1.94","","- Ga0.82 Li O1.94 V0.18 -","- Ga0.82 Li O1.94 V0.18 -","- Ga3.28 Li4 O7.76 V0.72 -","4","1","","Kuz'micheva, G.M.; Zharikov, E.V.; Rybakov, V.B.; Gaister, A.V.","Structure and properties of Li Ga O2 crystals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","2001","37","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526819","25.773","","7.832","","5.541","","90","","90","","90","","1118.47","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","La4 (Ti3 Ga0.5 Nb0.5) O14","","- Ga0.5 La4 Nb0.5 O14 Ti3 -","- Ga0.5 La4 Nb0.5 O14 Ti3 -","- Ga2 La16 Nb2 O56 Ti12 -","4","1","","Titov, Yu.O.; Belyavina, N.M.; Markiv, V.Ya.; Sich, A.M.; Slobodyanik, N.S.; Kapshuk, A.O.","Layered perovskite-like structure of La4 Ti4-x Gax/2 Nbx/2 O14 phases","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","148068","2020-10-21","18:00:00",""
"1526821","25.839","","7.85","","5.5565","","90","","90","","90","","1127.06","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","La4 (Ti2 Ga Nb) O14","","- Ga La4 Nb O14 Ti2 -","- Ga La4 Nb O14 Ti2 -","- Ga4 La16 Nb4 O56 Ti8 -","4","1","","Titov, Yu.O.; Sich, A.M.; Slobodyanik, N.S.; Belyavina, N.M.; Markiv, V.Ya.; Kapshuk, A.O.","Layered perovskite-like structure of La4 Ti4-x Gax/2 Nbx/2 O14 phases","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526823","25.891","","7.861","","5.5697","","90","","90","","90","","1133.6","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","La4 Ti2 (Ti0.5 Sc0.5) (Ti0.5 Nb0.5) O14","","- La4 Nb0.5 O14 Sc0.5 Ti3 -","- La4 Nb0.5 O14 Sc0.5 Ti3 -","- La16 Nb2 O56 Sc2 Ti12 -","4","1","","Titov, Yu.A.; Sych, A.M.; Kapshuk, A.A.; Markiv, V.Ya.; Belyavina, N.M.","Interdependence of composition-structure properties for ferroelectrics of the type La4 Ti4-x Scx/2 Nbx/2 O14 with layered perovskite-like structure","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","158","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","148072","2020-10-21","18:00:00",""
"1526825","26.074","","7.905","","5.594","","90","","90","","90","","1153.01","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","La4 (Ti Sc) (Ti Nb) O14","","- La4 Nb O14 Sc Ti2 -","- La4 Nb O14 Sc Ti2 -","- La16 Nb4 O56 Sc4 Ti8 -","4","1","","Titov, Yu.A.; Sych, A.M.; Kapshuk, A.A.; Markiv, V.Ya.; Belyavina, N.M.","Interdependence of composition-structure properties for ferroelectrics of the type La4 Ti4-x Scx/2 Nbx/2 O14 with layered perovskite-like structure","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","158","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526845","10.61","","8.3","","5.097","","90","","90","","90","","448.857","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li (Al Ge O4) (H2 O)","","- Al Ge H2 Li O5 -","- Al Ge Li O5 -","- Al4 Ge4 Li4 O20 -","4","1","","Tripathi, A.; Parise, J.B.; Kim, S.-J.; Johnson, G.M.","Synthesis and single-crystal structure of a lithium aluminogermanate with the zeolite ABW topology","Microporous and Mesoporous Materials","2000","34","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526938","5.642","","9.887","","10.449","","90","","90","","90","","582.871","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ba Al2 O3 (O H)2 (H2 O)","","- Al2 Ba H4 O6 -","- Al2 Ba O6 -","- Al8 Ba4 O24 -","4","1","","Wen, F.-S.; Chen, J.-S.; Yu, Z.-T.; Chen, W.","Synthesis and characterization of a new layered barium aluminate containing six-membered rings: Ba Al2 O3 (O H)2 * (H2 O)","Journal of Solid State Chemistry","2001","161","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526939","12.831","","6.41","","10.584","","90","","90","","90","","870.499","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K (Ti0.936 Sn0.064) O (P O4)","","- K O5 P Sn0.064 Ti0.936 -","- K O5 P Sn0.0645 Ti0.9355 -","- K8 O40 P8 Sn0.516 Ti7.484 -","8","2","","Wen, L.; Sorokina, N.I.; Yanovskii, V.K.; Vigdorchik, A.G.; Verin, I.A.; Voronkova, V.I.; Simonov, V.I.","Atomic structure of K Ti0.93 Sn0.07 O P O4 single crystals","Kristallografiya","2000","45","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527385","7.27","","12.06","","6.85","","90","","90","","90","","600.582","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","H3 P O3","","- H3 O3 P -","- O3 P -","- O24 P8 -","8","2","","Furberg, S.; Landmark, P.","The crystal structure of phosphorous acid","Acta Chemica Scandinavica (1-27,1973-42,1988)","1957","11","","1505","1511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527509","7.542","","7.617","","4.6009","","90","","90","","90","","264.31","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ce Ni Sn -","- Ce Ni Sn -","- Ce4 Ni4 Sn4 -","4","1","","Higashi, I.; Takabatake, T.; Kobayashi, K.; Kasaya, M.","The crystal structures of Ce T Sn (T= Ni, Pd and Pt)","Journal of Alloys Compd.","1993","193","","300","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527510","7.5356","","7.9648","","4.7045","","90","","90","","90","","282.362","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ce Pd Sn -","- Ce Pd Sn -","- Ce4 Pd4 Sn4 -","4","1","","Higashi, I.; Kobayashi, K.; Takabatake, T.; Kasaya, M.","The crystal structures of Ce T Sn (T= Ni, Pd and Pt)","Journal of Alloys Compd.","1993","193","","300","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527511","7.463","","8.0159","","4.6283","","90","","90","","90","","276.877","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ce Pt Sn -","- Ce Pt Sn -","- Ce4 Pt4 Sn4 -","4","1","","Higashi, I.; Kobayashi, K.; Kasaya, M.; Takabatake, T.","The crystal structures of Ce T Sn (T= Ni, Pd and Pt)","Journal of Alloys Compd.","1993","193","","300","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527771","14.61","","8.35","","11.38","","90","","90","","90","","1388.29","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dy (Re O4)3 (H2 O)4","","- Dy H8 O16 Re3 -","- Dy O16 Re3 -","- Dy4 O64 Re12 -","4","1","","Mashonkin, V.P.; Ilyukhin, V.V.; Varfolomeev, M.B.","Structure of the orthorhombic rare-earth perrhenate tetrahydrates Tr (Re O4)3 (H2 O)4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1014","1019","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527793","11.831","","11.406","","9.167","","90","","90","","90","","1237.04","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs2 (Mo O (S2)2 (C O S C O2))","","- C2 Cs2 Mo O4 S5 -","- C2 Cs2 Mo O4 S5 -","- C8 Cs8 Mo4 O16 S20 -","4","1","","Mennemann, K.; Mattes, R.","Ein monothiooxalato-O,S-Komplex des Molybdaens mit zwei (S2)(2-)-Liganden","Angewandte Chemie (German Edition)","1977","89","","269","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527891","8.6252","","9.3445","","11.5008","","90","","90","","90","","926.944","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K Hg I3 H2 O","","- H2 Hg I3 K O -","- Hg I3 K O -","- Hg4 I12 K4 O4 -","4","1","","Nyqvist, L.; Johansson, G.","The crystal structure of potassium triiodidomercurate(II) monohydrate, K Hg I3 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1615","1629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528058","5.193","","5.792","","3.099","","90","","90","","90","","93.211","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Fe P -","- Fe P -","- Fe4 P4 -","4","1","","Selte, K.; Kjekshus, A.","Structural and magnetic properties of Fe P","Acta Chemica Scandinavica (1-27,1973-42,1988)","1972","26","","1276","1277","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528105","17.823","","7.359","","12.613","","90","","90","","90","","1654.31","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sn Ba2 S4","","- Ba2 S4 Sn -","- Ba2 S4 Sn -","- Ba16 S32 Sn8 -","8","2","","Susa, K.; Steinfink, H.","Ternary sulfide compounds A B2 S4: the crystal structures of Ge Pb2 S4 and Sn Ba2 S4","Journal of Solid State Chemistry","1971","3","","75","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528213","5.454","","6.441","","5.194","","90","","90","","90","","182.461","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Zn Ge N2","","- Ge N2 Zn -","- Ge N2 Zn -","- Ge4 N8 Zn4 -","4","1","","Wintenberger, M.; Laurent, Y.; Maunaye, M.","Groupe spatial et ordre des atomes de zinc et de germanium dans Zn Ge N2","Materials Research Bulletin","1973","8","","1049","1054","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528341","17.413","","4.7856","","5.6638","","90","","90","","90","","471.974","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Co ((C H3) P O3) (H2 O)","","- C H3 Co O4 P -","- C H3 Co O4 P -","- C4 H12 Co4 O16 P4 -","4","1","","Bauer, E.M.; Bellitto, C.; Mahmoud, M.R.; Portalone, G.; Ibrahim, S.A.; Colapietro, M.; Righini, G.","Layered hybrid organic-inorganic Co(II) alkylphosphonates. Synthesis, crystal structure and magnetism of the first two members of the series: Co [(C H3 P O3) (H2 O)] and Co [(C2 H5 P O3) (H2 O)]","Journal of Solid State Chemistry","2006","179","","389","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528498","24.082","","12.7912","","11.9559","","90","","90","","90","","3682.87","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H48 Cl4 Mo2 N12 P4 -","- C24 H48 Cl4 Mo2 N12 P4 -","- C96 H192 Cl16 Mo8 N48 P16 -","4","1","","Frost, B.J.; Miller, S.B.; Rove, K.O.; Pearson, D.M.; Mebi, C.A.; Korinek, J.D.; Harkreader, J.L.; Shearer, J.","Synthesis, characterization, and crystal structure of a quadruply bonded dimolybdenum(II) complex containing the water-soluble phosphine 1,3,5-triaza-7-phophaadamantane (PTA)","Inorganica Chimica Acta","2006","359","","283","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528537","8.87","","13.27","","5.39","","90","","90","","90","","634.429","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sr2 (P2 O7)","","- O7 P2 Sr2 -","- O7 P2 Sr2 -","- O28 P8 Sr8 -","4","1","","Grenier, J.C.; Masse, R.","Mise au point sur la structure cristallographique de alpha-Sr2 P2 O7","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","285","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","150930","2020-10-21","18:00:00",""
"1528541","7.313","","8.747","","7.887","","90","","90","","90","","504.506","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Tl Te V O5","","- O5 Te Tl V -","- O5 Te Tl V -","- O20 Te4 Tl4 V4 -","4","1","","Grzechnik, A.; Halasyamani, P.S.; Friese, K.; Chang Hongyoung","Twinned crystal structure and compressibility of Tl Te V O4","Journal of Solid State Chemistry","2009","182","","1570","1574","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528835","6.65","","11.37","","16.32","","90","","90","","90","","1233.96","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Pb (N3)2","","- N6 Pb -","- N6 Pb -","- N72 Pb12 -","12","3","","Saha, P.","The Crystal Structure of alpha-Lead Azide, alpha-Pb (N3)2","Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science","1965","39","","494","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529250","7.9657","0.0002","14.5166","0.0003","12.0126","0.0003","90","","90","","90","","1389.08","0.06","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Diaba, Faïza; Montiel, Juan A.; Serban, Georgeta; Bonjoch, Josep","Synthesis of Normorphans through an Efficient Intramolecular Carbamoylation of Ketones.","Organic letters","2015","17","15","3860","3863","10.1021/acs.orglett.5b01832","","","0.71073","MoKα","","0.0493","0.0467","","","0.1283","0.137","","","","","","1.098","","","","has coordinates","154771","2020-10-21","18:00:00",""
"1529282","29.2958","0.0017","6.1415","0.0003","15.5413","0.0009","90","","90","","90","","2796.2","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 Br O2 -","- C17 H13 Br O2 -","- C136 H104 Br8 O16 -","8","2","","Kuppusamy, Ramajayam; Gandeepan, Parthasarathy; Cheng, Chien-Hong","Rh(III)-Catalyzed [4 + 1] Annulations of 2-Hydroxy- and 2-Aminobenzaldehydes with Allenes: A Simple Method toward 3-Coumaranones and 3-Indolinones.","Organic letters","2015","17","15","3846","3849","10.1021/acs.orglett.5b01825","","","0.71073","MoKα","","0.0492","0.0384","","","0.091","0.1152","","","","","","1.086","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1529392","30.3531","0.001","5.0918","0.0002","16.0639","0.0005","90","","90","","90","","2482.71","0.15","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","LadderA","","","- C32 H36 N2 O2 -","- C32 H36 N2 O2 -","- C128 H144 N8 O8 -","4","1","","Takagi, K.; Kato, R.; Yamamoto, S.; Masu, H.","Amide-bridged ladder poly(p-phenylene): synthesis by direct arylation and π-stacked assembly","Polym. Chem.","2015","6","38","6792","","10.1039/C5PY01154J","","","1.54178","CuKα","","0.0862","0.0706","","","0.1849","0.1994","","","","","","1.054","","","","has coordinates","162238","2020-10-21","18:00:00",""
"1529585","9.49","","12.23","","7.1","","90","","90","","90","","824.045","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Fe3 (Be Si3 O9) (O H)2","","- Be Fe3 H2 O11 Si3 -","- Be Fe3 O11 Si3 -","- Be4 Fe12 O44 Si12 -","4","1","","Bakakin, V.V.; Solov'eva, L.P.","The crystal structure of Fe3 Be Si3 O9 (F, O H)2 the example of the wollastonitelike silicate chain on the basis of Fe","Kristallografiya","1970","15","","1144","1151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529643","10.8","","6.62","","7.51","","90","","90","","90","","536.935","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","K2 Sm F5","","- F5 K2 Sm -","- F5 K2 Sm -","- F20 K8 Sm4 -","4","1","","Bochkova, R.I.; Belov, N.V.; Saf'yanov, Yu.N.; Kuz'min, E.A.","The interpretation of the crystal structure of K2 Sm F5 by the rhombpeak method","Doklady Akademii Nauk SSSR","1973","212","","357","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529762","20","","9.28","","5.45","","90","","90","","90","","1011.52","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na Nd Si O4","","- Na Nd O4 Si -","- Na Nd O4 Si -","- Na12 Nd12 O48 Si12 -","12","3","","Chichagov, A.V.; Belov, N.V.","The crystal structure of Na Nd Si O4","Geokhimiya","1968","1968","","1456","1461","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529776","16.579","","24","","4.09","","90","","90","","90","","1627.4","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sr3 Sb4 S9","","- S9 Sb4 Sr3 -","- S9 Sb4 Sr3 -","- S36 Sb16 Sr12 -","4","1","","Cordier, G.; Schwidetzky, C.; Schaefer, H.","Sb S3-Tetraederketten und Sb S5-Oktaederketten im Sr3 Sb4 S9","Revue de Chimie Minerale","1982","19","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","154397","2020-10-21","18:00:00",""
"1529780","9.4039","","5.8539","","5.2915","","90","","90","","90","","291.294","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I4 Li4 O12 -","4","1","","Crettez, J.M.; Coquet, E.; Pannetier, J.; Bouillot, J.; Durand-Le Floch, M.","Neutron structure refinement of gamma- and beta-lithium: Comparison between alpha, gamma, and beta phases","Journal of Solid State Chemistry","1985","56","","133","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529852","19.3661","0.0007","14.8237","0.0006","28.5913","0.0013","90","","90","","90","","8207.9","0.6","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C43 H37 Br2 Cl Cu N3 O4 P2 -","- C43 H37 Br2 Cl Cu N3 O4 P2 -","- C344 H296 Br16 Cl8 Cu8 N24 O32 P16 -","8","2","","Ramakrishna, Kankanala; Murali, Mani; Sivasankar, Chinnappan","Chemoselective Carbene insertion into the N-H Bond over O-H Bond Using a Well-Defined Single Site (P-P)Cu(I) Catalyst.","Organic letters","2015","17","15","3814","3817","10.1021/acs.orglett.5b01776","","","0.7107","MoKα","","0.1201","0.0728","","","0.1676","0.1992","","","","","","1.021","","","","has coordinates","154511","2020-10-21","18:00:00",""
"1529900","7.969","","18.591","","4.926","","90","","90","","90","","729.795","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li Pb (P O4)","","- Li O4 P Pb -","- Li O4 P Pb -","- Li8 O32 P8 Pb8 -","8","2","","Elammari, L.; Elouadi, B.; Depmeier, W.","Crystal structure of Li Pb P O4 with ""Li4 O13"" cluster","Journal of Solid State Chemistry","1988","76","","266","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530018","5.468","","27.32","","5.468","","90","","90","","90","","816.841","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Bi2 (C O3) O2","","- C Bi2 O5 -","- C Bi2 O5 -","- C8 Bi16 O40 -","8","2","","Greaves, C.; Blower, S.K.","Structural relationships between Bi2 O2 C O3 and beta-Bi2 O3","Materials Research Bulletin","1988","23","","1001","1008","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530065","7.924","","10.526","","5.953","","90","","90","","90","","496.528","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(N H4)2 (S O4)","","- H8 N2 O4 S -","- H8 N2 O4 S -","- H32 N8 O16 S4 -","4","1","","Hasebe, K.","Studies of the crystal structure of ammonium sulfate in connection with its ferroelectric phase transition","Journal of the Physical Society of Japan","1981","50","","1266","1274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530241","16.899","","8.821","","11.754","","90","","90","","90","","1752.12","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","K4 Nb (C N)8 (H2 O)2","","- C8 H4 K4 N8 Nb O2 -","- C8 K4 N8 Nb O2 -","- C32 K16 N32 Nb4 O8 -","4","1","","Laing, M.; Kiernan, P.M.; Gafner, G.; Griffith, W.P.","The X-Ray crystal structure of an eight co-ordinate cyanide complex of niobium, K4 Nb (C N)8 (H2 O)2","Inorganica Chimica Acta","1979","33","","119","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530299","13.259","","8.127","","6.973","","90","","90","","90","","751.382","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na2 U O2 P2 O7","","- Na2 O9 P2 U -","- Na2 O9 P2 U -","- Na8 O36 P8 U4 -","4","1","","Linde, S.A.; Gorbunova, Yu.E.; Pobedina, A.B.; Lavrov, A.V.","The synthesis and structure of crystals of sodium uranyl pyrophosphate Na2 U O2 P2 O7","Zhurnal Neorganicheskoi Khimii","1984","29","","1533","1537","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530305","8.64","","9.28","","4.93","","90","","90","","90","","395.283","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","K Ni (P O4)","","- K Ni O4 P -","- K Ni O4 P -","- K4 Ni4 O16 P4 -","4","1","","Ljutin, V.I.; Ilyukhin, V.V.; Tutov, A.G.; Belov, N.B.","Crystal structure of antiferromagnetic K, Ni-phosphate K Ni P O4","Doklady Akademii Nauk SSSR","1973","208","","346","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530343","14.442","","5.288","","14.219","","90","","90","","90","","1085.9","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na4 Sc2 (Si4 O13)","","- Na4 O13 Sc2 Si4 -","- Na4 O13 Sc2 Si4 -","- Na16 O52 Sc8 Si16 -","4","1","","Maksimov, B.A.; Belov, N.V.; Mel'nikov, O.K.; Zhdanova, T.A.; Ilyukhin, V.V.","Crystal structure of Na4 Sc2 Si4 O13","Doklady Akademii Nauk SSSR","1980","251","","98","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","155423","2020-10-21","18:00:00",""
"1530418","6.431","","14.031","","4.82","","90","","90","","90","","434.925","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cs H Se O3","","- Cs H O3 Se -","- Cs O3 Se -","- Cs4 O12 Se4 -","4","1","","Micka, Z.; Danek, M.; Podlahova, J.; Loub, J.; Strauch, B.; Hasek, J.","Molecular spectra and X-ray study of the alkali hydrogen selenites M H Se O3","Journal of Solid State Chemistry","1988","77","","306","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530527","7.81","","13.71","","8.8","","90","","90","","90","","942.261","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","K3 (B3 O4 (O H)4) (H2 O)2","","- B3 H8 K3 O10 -","- B3 K3 O10 -","- B12 K12 O40 -","4","1","","Ozols, J.","Crystal structure of potassium triborate K3 (B3 O4 (O H)4 ) * (H2 O)2 = 3 K B O2 (H2 O)1.33","Latvijas PSR Zinatnu Akademijas Vestis, Khimijas Serija","1977","1977","","356","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530606","5.557","","4.932","","11.795","","90","","90","","90","","323.267","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sb (Nb O4)","","- Nb O4 Sb -","- Nb O4 Sb -","- Nb4 O16 Sb4 -","4","1","","Ponomarev, V.I.; Filipenko, O.S.; Venevtsev, Yu.N.; Ivanov, S.A.; Atovmyan, L.O.; Rannev, N.V.","Structure and lattice dynamics of Sb Nb O4 crystals at 300-1000 K","Kristallografiya","1981","26","","341","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530627","26.74","","12.399","","7.252","","90","","90","","90","","2404.4","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","K2 (Zn Cl4)","","- Cl3.33333 K2 Zn -","- Cl3.33333 K2 Zn -","- Cl40 K24 Zn12 -","12","3","","Quilichini, M.; Schweiss, P.; Heger, G.","Neutron structural study of the ferroelectric phase of K2 Zn Cl4","Ferroelectrics","1988","79","","117","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530798","25.623","","10.577","","8.632","","90","","90","","90","","2339.4","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","K1.33 (N H4)1.67 (Pr ((P O2 N H)3)2) (H2 O)4","","- H20.68 K1.33 N7.67 O16 P6 Pr -","- K1.3333 N7.6667 O16 P6 Pr -","- K5.3332 N30.6668 O64 P24 Pr4 -","4","1","","Sokol, V.I.; Porai-Koshits, M.A.; Butman, L.A.; Rozanov, I.A.; Berdnikov, V.R.","Crystal structure of potassium ammonium bis(trimetaphosphimato)- praseodymate, K1.3 (N H4)1.7 (Pr ((P O2 N H)3)2) (H2 O)8","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","1093","1102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530815","14.997","","11.952","","10.489","","90","","90","","90","","1880.09","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(N H3)4 Rh (O H) (O2) Rh (N H3)3 (H2 O) (N O3)4","","- H24 N11 O16 Rh2 -","- H24 N11 O16 Rh2 -","- H96 N44 O64 Rh8 -","4","1","","Springborg, J.; Zehnder, M.","Synthesis and crystal structure of a peroxo-bridged binuclear Rhodium(III) complex and its superoxo-bridged analogue","Helvetica Chimica Acta","1984","67","","2218","2225","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530973","11.174","","6.55","","5.228","","90","","90","","90","","382.636","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","W P O5","","- O5 P W -","- O5 P W -","- O20 P4 W4 -","4","1","","Wang, S.-L.; Wang, C.-C.; Lii, K.-H.","Crystal Structure of W P O5, the Second Member of the Monophosphate Tungsten Bronze Series (W O3)2m (P O2)4","Journal of Solid State Chemistry","1989","82","","298","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531000","5.248","","6.511","","5.07","","90","","90","","90","","173.241","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Mn Si N2","","- Mn N2 Si -","- Mn N2 Si -","- Mn4 N8 Si4 -","4","1","","Wintenberger, M.; Marchand, R.; Maunaye, M.","Etude cristallographique et magnetique de Mn Si N2 par diffraction des neutrons","Solid State Communications","1977","21","","733","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531005","22.716","","10.339","","5.967","","90","","90","","90","","1401.41","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","K2 (Se O4)","","- K2 O4 Se -","- K2 O4 Se -","- K24 O48 Se12 -","12","3","","Yamada, N.; Ono, Y.; Ikeda, T.","A Structural Study of the Incommensurate-to-Ferroelectric Phase Transition in K2 Se O4","Journal of the Physical Society of Japan","1984","53","","2565","2574","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531042","14.7897","0.0004","13.1867","0.0003","7.8841","0.0002","90","","90","","90","","1537.62","0.07","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N O4 V -","- C15 H22 N O4 V -","- C60 H88 N4 O16 V4 -","4","1","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0317","0.0289","","","0.0725","0.074","","","","","","1.072","","","","has coordinates","170976","2020-10-21","18:00:00",""
"1531265","12.9716","","6.5069","","10.574","","90","","90","","90","","892.497","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Rb (Ti0.927 Nb0.056 Er0.017) O P O4","","- Er0.017 Nb0.056 O5 P Rb Ti0.927 -","- Er0.017 Nb0.0555 O5 P Rb Ti0.927 -","- Er0.136 Nb0.444 O40 P8 Rb8 Ti7.416 -","8","2","","Carvajal, J.J.; Aguilo, M.; Garcia-Munoz, J.L.; Sole, R.; Gavalda, J.; Massons, J.; Diaz, F.","Selective dstribution of dopants among M O6 octahedra in Rb Ti0.927 Nb0.056 Er0.017 O P O4 : a neutron diffraction study","Journal of Solid State Chemistry","2003","171","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531577","16.344","","9.424","","7.968","","90","","90","","90","","1227.28","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(Co (N H3)5 Cl) (Pd Cl4)","","- Cl5 Co H15 N5 Pd -","- Cl5 Co H15 N5 Pd -","- Cl20 Co4 H60 N20 Pd4 -","4","1","","Koz'min, P.A.; Surazhskaya, M.D.; Bol'shakova, M.D.; Bol'shakov, A.M.","Structure of pentaamminechlorocobalt(III) tetrachloropalladate(II) (Co (N H3)5 Cl) (Pd Cl4)","Zhurnal Neorganicheskoi Khimii","2001","46","","1639","1641","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531588","6.5133","","7.8629","","6.2175","","90","","90","","90","","318.419","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Li Ga S2","","- Ga Li S2 -","- Ga Li S2 -","- Ga4 Li4 S8 -","4","1","","Isaenko, L.; Yelisseyev, A.; Lobanov, S.; Titov, A.; Petrov, V.; Smirnova, J.; Vedenyapin, V.; Merkulov, A.; Zondy, J.J.; Krinitsin, P.","Growth and properties of Li Ga X2 (X = S, Se, Te) single crystals for nonlinear optical applications in the mid-IR","Crystal Research and Technology","2003","38","","379","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531591","6.832","","8.237","","6.535","","90","","90","","90","","367.758","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Li Ga Se2","","- Ga Li Se2 -","- Ga Li Se2 -","- Ga4 Li4 Se8 -","4","1","","Isaenko, L.; Yelisseyev, A.; Smirnova, J.; Petrov, V.; Titov, A.; Lobanov, S.; Zondy, J.J.; Vedenyapin, V.; Merkulov, A.; Krinitsin, P.","Growth and properties of Li Ga X2 (X = S, Se, Te) single crystals for nonlinear optical applications in the mid-IR","Crystal Research and Technology","2003","38","","379","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531797","11.8083","","5.3529","","6.8603","","90","","90","","90","","433.63","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","La Ca Ga O4","","- Ca Ga La O4 -","- Ca Ga La O4 -","- Ca4 Ga4 La4 O16 -","4","1","","Li, Z.-F.; Li, G.-B.; Lin, J.-H.; Liao, F.-H.","On the synthesis and structure of La Ca Ga O4","Journal of Solid State Chemistry","2003","172","","59","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531887","14.367","","11.682","","7.826","","90","","90","","90","","1313.48","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs2 (U O2 (Se O4)2 (H2 O)) (H2 O)","","- Cs2 H4 O12 Se2 U -","- Cs2 O12 Se2 U -","- Cs8 O48 Se8 U4 -","4","1","","Mikhailov, Yu.N.; Gorbunova, Yu.E.; Shishkina, O.V.; Serezhkin, V.N.; Serezhkina, L.B.","Crystal structure of Cs2 ((U O2 (Se O4)2) * (H2 O)) * (H2 O)","Zhurnal Neorganicheskoi Khimii","2001","46","","1828","1832","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532252","25.772","","7.834","","5.545","","90","","90","","90","","1119.52","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","La4 Ti3 Nb0.5 Fe0.5 O14","","- Fe0.5 La4 Nb0.5 O14 Ti3 -","- Fe0.5 La4 Nb0.5 O14 Ti3 -","- Fe2 La16 Nb2 O56 Ti12 -","4","1","","Titov, Yu.O.; Sych, A.M.; Belyavina, N.M.; Kapshuk, A.O.; Markiv, V.Ya.","Localization of heteroatoms Fe and Nb in the layered structure of ferroelectric La4 Ti4 O14","Dopov. Nats. Akad. Nauk. Ukr.","2002","2002","","162","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","157934","2020-10-21","18:00:00",""
"1532414","7.21707","","8.39695","","4.35618","","90","","90","","90","","263.991","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Nd Ni Sn D","","- D Nd Ni Sn -","- D Nd Ni Sn -","- D4 Nd4 Ni4 Sn4 -","4","1","","Yartys', V.A.; Olavesen, T.; Hauback, B.C.; Fjellvag, H.","Orthorhombic Nd Ni Sn D with filled (Ti Ni Si)-type structure","Journal of Alloys Compd.","2002","336","","181","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532447","5.557","","4.932","","11.808","","90","","90","","90","","323.623","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sb (Nb0.67 Ta0.33) O4","","- Nb0.67 O4 Sb Ta0.33 -","- Nb0.67 O4 Sb Ta0.33 -","- Nb2.68 O16 Sb4 Ta1.32 -","4","1","","Zubkova, N.V.; Tillmanns, E.; Pushcharovskii, D.Yu.; Giester, G.; Smolin, A.S.; Kashaev, A.A.; Peretyazhko, I.S.; Brandstaetter, F.; Sapozhnikov, A.N.; Hammer, V.","Bismutocolumbite, Bi (Nb0.79 Ta0.21) O4, stibiocolumbite, Sb (Nb0.67 Ta0.33) O4 and their structural relation to the other A B O4 minerals with stibiotantalite (Sb Ta O4) structure","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","2002","2002","","145","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532572","11.707","","7.047","","5.315","","90","","90","","90","","438.483","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Bi (Se O3) Cl","","- Bi Cl O3 Se -","- Bi Cl O3 Se -","- Bi4 Cl4 O12 Se4 -","4","1","","Ibragimov, S.A.; Berdonosov, P.S.; Dolgikh, V.A.; Huong, D.Q.; Oppermann, H.","Crystal structure and SHG characterization of gamma-(Bi Se O3 Cl)","Neorganicheskie Materialy","2002","38","","1514","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532954","14.776","","8.468","","11.505","","90","","90","","90","","1439.54","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sm ((Re O4)3 (H2 O)3)","","- H6 O15 Re3 Sm -","- O15 Re3 Sm -","- O60 Re12 Sm4 -","4","1","","Mujica, C.; Cardoso-Gil, R.; Sanchez, V.; Llanos, J.; Schnelle, W.","Crystal structure and thermal stability of Sm (Re O4)3 (H2 O)3","Journal of Alloys Compd.","2004","364","","89","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532993","12.878","","6.406","","10.641","","90","","90","","90","","877.845","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(K0.981 Cr0.019) (Ti O) (P O4)","","- Cr0.019 K0.981 O5 P Ti -","- Cr0.0185 K0.9815 O5 P Ti -","- Cr0.148 K7.852 O40 P8 Ti8 -","8","2","","Kannan, C.V.; Righi, L.; Ganesamoorthy, S.; Ramasamy, P.; Bocelli, G.","Growth, structural and optical studies of chromium doped K Ti O P O4 single crystals","Journal of Crystal Growth","2003","252","","328","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533267","7.238","","8.446","","4.398","","90","","90","","90","","268.859","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ce Ni Sn D","","- Ce D Ni Sn -","- Ce D Ni Sn -","- Ce4 D4 Ni4 Sn4 -","4","1","","Yartys', V.A.; Ouladdiaf, B.; Isnard, O.; Khyzhun, O.Yu.; Buschow, K.H.J.","Hydrogen induced antiferromagnetism in the Kondo semimetal Ce Ni Sn","Journal of Alloys Compd.","2003","359","","62","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533304","9.22","","7.458","","5.814","","90","","90","","90","","399.787","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(N H4) (Cl O4)","","- Cl H4 N O4 -","- Cl H4 N O4 -","- Cl4 H16 N4 O16 -","4","1","","Zhang Jianguo; Zhang Tonglai; Yang Li","A study of crystal structure and explosive properties of ammonium perchlorate","Huozhayao Xuebao","2002","25","","33","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533305","9.938","","6.569","","4.948","","90","","90","","90","","323.019","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li (Al Si O4)","","- Al Li O4 Si -","- Al Li O4 Si -","- Al4 Li4 O16 Si4 -","4","1","","Ceriani, C.; Fois, E.; Gamba, A.","The role of extra-framework cations on the structure of dehydrated Li-ABW. A computer simulation study","Microporous and Mesoporous Materials","2003","57","","73","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533378","27.32","","15.4","","8.241","","90","","90","","90","","3467.22","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na (Si2 O4 (O H))","","- H Na O5 Si2 -","- H Na O5 Si2 -","- H32 Na32 O160 Si64 -","32","8","","Sassi, M.; Gramlich, V.; Josien, L.; Miehe-Brendle, J.; Paillaud, J.-L.; Benggedach, A.; Patarin, J.","Synthesis and characterization of a new one-dimensional sodium silicate named Mu-29","Microporous and Mesoporous Materials","2003","64","","51","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533454","12.4524","","9.6339","","16.5636","","90","","90","","90","","1987.06","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","K4 Ag (Ag Ge3 S9) (H2 O)","","- Ag2 Ge3 H2 K4 O S9 -","- Ag2 Ge3 K4 O S9 -","- Ag8 Ge12 K16 O4 S36 -","4","1","","An Yonglin; Menghe Baiyin; Ye Ling; Ji Min; Jia Cuiying; Liu Xin","A solvothermal synthesis and characterization of a new open-framework K4 Ag2 Ge3 Se9 * (H2 O)","Journal of Solid State Chemistry","2004","177","","2506","2510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533700","19.0766","","9.1657","","14.1806","","90","","90","","90","","2479.48","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","(C (N H2)3)2 ((V O)3 (H2 O)3 (H P O3)4) (H2 O)3","","- C2 H28 N6 O21 P4 V3 -","- C2 N6 O21 P4 V3 -","- C8 N24 O84 P16 V12 -","4","1","","Harrison, W.T.A.","(C N3 H6)2 * (V O)3 (H2 O)3 (H P O3)4 * 3(H2 O), a guanidinium vanadium phosphite hydrate based on a (3,4) connected net: an ""orthogonal templating"" effect?","Solid State Sciences","2003","5","","297","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","159969","2020-10-21","18:00:00",""
"1534147","12.815","","6.415","","10.591","","90","","90","","90","","870.667","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K0.89 ((Ti0.89 Nb0.11) O) (P O4)","","- K0.89 Nb0.11 O5 P Ti0.89 -","- K0.8745 Nb0.1055 O5 P Ti0.8945 -","- K6.996 Nb0.844 O40 P8 Ti7.156 -","8","2","","Alekseeva, O.A.; Sorokina, N.I.; Verin, I.A.; Yanovskii, V.K.; Lozevskaya, T.Yu.; Voronkova, V.I.; Simonov, V.I.","Structure and properties of potassium titanyl phosphate single crystals with 7 and 11 at.% Nb","Kristallografiya","2003","48","","238","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534502","11.8","","6","","8.125","","90","","90","","90","","575.25","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na K (Sn F6)","","- F6 K Na Sn -","- F6 K Na Sn -","- F24 K4 Na4 Sn4 -","4","1","","Gerasimenko, A.V.; Sergienko, V.I.; Ivanov, S.B.; Antokhina, T.F.","Crystal structure of NaKSnF6","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","129","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534588","9.422","","5.861","","5.301","","90","","90","","90","","292.734","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I4 Li4 O12 -","4","1","","Liminga, R.; Svensson, C.; Albertsson, J.; Abrahams, S.C.","gamma-lithium iodate at 515 K and the alpha-Li I O3 to gamma-Li I O3, gamma-Li I O3 to beta-Li I O3 phase transitions","Journal of Chemical Physics","1982","77","","4222","4226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534596","17.549","","9.9173","","12.858","","90","","90","","90","","2237.79","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sb8 (Ga Cl4)2","","- Cl8 Ga2 Sb8 -","- Cl8 Ga2 Sb8 -","- Cl32 Ga8 Sb32 -","4","1","","Lindsjoe, M.; Fischer, A.; Kloo, L.","Sb8 (Ga Cl4)2: Isolation of a homopolyatomic antimony cation","Angew. Chem. Int. ed.","2004","43","","2540","2543","","","","","","","","","","","","","","","","","","","","","","has coordinates","161452","2020-10-21","18:00:00",""
"1534821","8.746","","7.48","","5.013","","90","","90","","90","","327.951","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Shepelev, Yu.F.; Filatov, S.K.; Bubnova, R.S.; Sennova, N.A.; Pilneva, N.A.","Li B3 O5 crystal structure at 20, 227, and 377 degree C","Journal of Solid State Chemistry","2005","178","","2987","2997","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534938","9.605","","10.183","","14.393","","90","","90","","90","","1407.75","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Cs2 (B12 H11 (S C N))","","- C H11 B12 Cs2 N S -","- C H11 B12 Cs2 N S -","- C4 H44 B48 Cs8 N4 S4 -","4","1","","Sivaev, I.B.; Katser, S.B.; Solntsev, K.A.; Kuznetsov, N.T.","Some features of (B12 H11 S C N)2- anion. Crystal structure of cesium (thiocyanato)undecahydro(Ih-(1551)-delta20-closo)-dodeca borate Cs2 (B12 H11 S C N)","Zhurnal Neorganicheskoi Khimii","1995","40","","807","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534976","10.579","","13.416","","4.829","","90","","90","","90","","685.37","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Ba (N H2 S O3)2","","- Ba H4 N2 O6 S2 -","- Ba H4 N2 O6 S2 -","- Ba4 H16 N8 O24 S8 -","4","1","","Manickkavachagam, R.; Chandrasekaran, K. S.; Rajaram, R. K.","Crystal Structure of Barium Sulphamate","Current Science","1983","52","","420","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","189186","2020-10-21","18:00:00",""
"1535069","13.224","","6.597","","10.759","","90","","90","","90","","938.601","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","K Sb O (Ge O4)","","- Ge K O5 Sb -","- Ge K O5 Sb -","- Ge8 K8 O40 Sb8 -","8","2","","Belokoneva, E.L.; Mill', B.V.; Butashin, A.V.","Synthesis of germanates and silicates with the structure K Ti O P O4 and crystalline structure of K Sb O Ge O4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1708","1713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535087","12.7633","","6.3992","","10.4988","","90","","90","","90","","857.489","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K (Ge0.063 Ti0.937 O) (P O4)","","- Ge0.063 K O5 P Ti0.937 -","- Ge0.0635 K O5 P Ti0.9365 -","- Ge0.508 K8 O40 P8 Ti7.492 -","8","2","","Sorokina, N.I.; Simonov, V.I.; Voronkova, V.I.; Verin, I.A.; Yanovskii, V.K.","Crystal structure and electrophysical characteristics of K Ge0.06 Ti0.94 O P O4 single crystals","Kristallografiya","1995","40","","688","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535091","12.7788","","6.4002","","10.5268","","90","","90","","90","","860.954","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K (Ge0.042 Ti0.958 O) (P O4)","","- Ge0.042 K O5 P Ti0.958 -","- Ge0.0415 K O5 P Ti0.9585 -","- Ge0.332 K8 O40 P8 Ti7.668 -","8","2","","Sorokina, N.I.; Voronkova, V.I.; Verin, I.A.; Yanovskii, V.K.; Simonov, V.I.","Crystal structures of compounds in the K Ti O P O4 K Ge O P O4 system.","Kristallografiya","1996","41","","457","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535095","12.7252","","6.3944","","10.4212","","90","","90","","90","","847.973","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K (Ge0.184 Ti0.816 O) (P O4)","","- Ge0.184 K O5 P Ti0.816 -","- Ge0.184 K O5 P Ti0.816 -","- Ge1.472 K8 O40 P8 Ti6.528 -","8","2","","Sorokina, N.I.; Voronkova, V.I.; Simonov, V.I.; Yanovskii, V.K.; Verin, I.A.","Crystal structures of compounds in the K Ti O P O4 K Ge O P O4 system.","Kristallografiya","1996","41","","457","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535096","13.386","","6.658","","10.997","","90","","90","","90","","980.096","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","K Ta O (Ge O4)","","- Ge K O5 Ta -","- Ge K O5 Ta -","- Ge8 K8 O40 Ta8 -","8","2","","Belokoneva, E.L.; Mill', B.V.","Crystal structures of K Ta O Ge O4 and Rb Sb O Ge O4.","Zhurnal Neorganicheskoi Khimii","1992","37","","998","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535099","13.382","","6.708","","10.746","","90","","90","","90","","964.63","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Rb Sb O (Ge O4)","","- Ge O5 Rb Sb -","- Ge O5 Rb Sb -","- Ge8 O40 Rb8 Sb8 -","8","2","","Belokoneva, E.L.; Mill', B.V.","Crystal structures of K Ta O Ge O4 and Rb Sb O Ge O4.","Zhurnal Neorganicheskoi Khimii","1992","37","","998","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535112","13.358","","6.664","","10.762","","90","","90","","90","","958.009","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Tl Sb O (Ge O4)","","- Ge O5 Sb Tl -","- Ge O5 Sb Tl -","- Ge8 O40 Sb8 Tl8 -","8","2","","Belokoneva, E.L.; Dolgushin, F.M.; Antipin, M.Yu.; Mill', B.V.; Struchkov, Yu.T.","Study of phase transition in Tl Sb O Ge O4 crystals in the temperature range 123-293 K","Zhurnal Neorganicheskoi Khimii","1993","38","","631","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535120","13.008","","6.433","","10.736","","90","","90","","90","","898.393","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na Sb O (Ge O4)","","- Ge Na O5 Sb -","- Ge Na O5 Sb -","- Ge8 Na8 O40 Sb8 -","8","2","","Belokoneva, E.L.; Mill', B.V.","Crystal structures of beta-NaSbOGeO4 and AgSbOSiO4 and migration paths of ions in structures of KTiOPO4 type","Zhurnal Neorganicheskoi Khimii","1994","39","","355","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535222","14.294","","7.304","","10.677","","90","","90","","90","","1114.71","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K2 (Os (C O) Br5)","","- C Br5 K2 O Os -","- C Br5 K2 O Os -","- C4 Br20 K8 O4 Os4 -","4","1","","Berngardt, E.A.; Buslaev, Yu.A.; Gorbunova, Yu.E.; Mikhailov, Yu.N.; Kanishcheva, A.S.; Sinitsyn, N.M.","Synthesis and crystal structure of potassium monocarbonylpentabromoosmate K2 (Os C O Br5)","Zhurnal Neorganicheskoi Khimii","1995","40","","92","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535523","7.1748","","8.3356","","6.9855","","90","","90","","90","","417.777","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cu Hg S I","","- Cu Hg I S -","- Cu Hg I S -","- Cu4 Hg4 I4 S4 -","4","1","","Moro'oka, M.; Ohki, H.; Yamada, K.; Okuda, T.","The crystal structure, phase transition and electric conductivity of new quaternary chalcogenide halide Cu Hg S I","Journal of Solid State Chemistry","2004","177","","1401","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535609","9.055","","4.635","","11.908","","90","","90","","90","","499.778","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Rb (H2 P O4) (H F)","","- F H3 O4 P Rb -","- F H3 O4 P Rb -","- F4 H12 O16 P4 Rb4 -","4","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",""
"1535667","5.498","","7.206","","5.298","","90","","90","","90","","209.899","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Na Ga O2","","- Ga Na O2 -","- Ga Na O2 -","- Ga4 Na4 O8 -","4","1","","Mueller, H.; Hoppe, R.","Zur Kristallstruktur von KGaO2 und NaGaO2(II)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","611","","73","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535729","7.982","","18.626","","4.938","","90","","90","","90","","734.146","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li Pb (P O4)","","- Li O4 P Pb -","- Li O4 P Pb -","- Li8 O32 P8 Pb8 -","8","2","","Trunov, V.K.; Makarevich, L.G.; Oboznenko, Yu.V.; Tskhelashvili, N.B.; Sirotkin, S.P.","Crystal structure of Li Pb P O4","Kristallografiya","1990","35","","205","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535781","20.863","","9.5","","5.6005","","90","","90","","90","","1110.01","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ca0.84 Sr1.16 Si O4","","- Ca0.603333 O4 Si Sr1.39667 -","- Ca0.603333 O4 Si Sr1.39667 -","- Ca7.24 O48 Si12 Sr16.76 -","12","3","","Il'inets, A.M.; Bikbau, M.Ya.","Structural mechanism of polymorphic transformations of dicalcium silicate-Ca2SiO4.Part II. Refinement of crystal structure of high-temperature alpha'modification of dicalcium silicate Ca2SiO4.","Kristallografiya","1990","35","","91","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535872","27.47","","5.657","","8.989","","90","","90","","90","","1396.87","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","K Dy (Se O4)2","","- Dy K O8 Se2 -","- Dy K O8 Se2 -","- Dy8 K8 O64 Se16 -","8","2","","Ishakova, L.D.; Trunov, V.K.; Ovanisyan, S.M.","Crystal structure of K Dy (Se O4)2","Kristallografiya","1990","35","","1099","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535904","4.977","","5.747","","4.674","","90","","90","","90","","133.69","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Be Si N2","","- Be N2 Si -","- Be N2 Si -","- Be4 N8 Si4 -","4","1","","Eckerlin, P.","Die Kristallstruktur von Be Si N2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1967","353","","225","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536119","4.753","","14.208","","8.203","","90","","90","","90","","553.954","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Li5.88 H4.5 (P12 O2 N22) Cl2.556","","- Cl2.556 H4.5 Li5.88 N22 O2 P12 -","- Cl2.556 Li5.88 N22.008 O1.992 P12 -","- Cl2.556 Li5.88 N22.008 O1.992 P12 -","1","0.25","","Correll, S.; Oeckler, O.; Stock, N.; Schnick, W.","Li(x) H(12-x-y+z) (P12 O(y) N(24-y)) Cl(z) - An oxonitridophosphate with a zeolitelike framework structure composed of 3-rings","Angewandte Chemie (Edition international)","2003","42","","3549","3552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536128","12.6013","","6.3051","","10.0031","","90","","90","","90","","794.771","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","K Ge O P O4","","- Ge K O5 P -","- Ge K O5 P -","- Ge8 K8 O40 P8 -","8","2","","Voronkova, V.I.; Yanovskii, V.K.; Sorokina, N.I.; Verin, I.A.; Simonov, V.I.","Ferroelectric phase transition and crystal structure of KGeOPO4","Kristallografiya","1993","38","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536133","12.879","","6.434","","10.588","","90","","90","","90","","877.359","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(K0.59 Tl0.41) Ti O (P O4)","","- K0.59 O5 P Ti Tl0.41 -","- K0.589 O5 P Ti Tl0.411 -","- K4.712 O40 P8 Ti8 Tl3.288 -","8","2","","Voronkova, V.I.; Sorokina, N.I.; Li, D.Y.; Yanovskii, V.K.; Simonov, V.I.; Furmanova, N.G.; Verin, I.A.","Atomic structure and electrophysical characteristics of K0.59Tl0.41TiOPO4 single crystals","Kristallografiya","1994","39","","430","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536144","4.766","","14.263","","8.235","","90","","90","","90","","559.794","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li6.48 H9.2 P12 N24 Cl3.68","","- Cl3.68 H9.2 Li6.48 N24 P12 -","- Cl3.68 Li6.48 N24 P12 -","- Cl3.68 Li6.48 N24 P12 -","1","0.25","","Correll, S.; Stock, N.; Schnick, W.; Nilges, T.; Oeckler, O.; Senker, J.","Li(x) H(12-x-y+z) (P12 O(y) N(24-y))X(z) (X = Cl, Br) - Oxonitridophosphate mit NPO-Zeolithstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2205","2217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536369","7.3462","","5.8635","","9.969","","90","","90","","90","","429.409","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Hg2 Te O5","","- Hg2 O5 Te -","- Hg2 O5 Te -","- Hg8 O20 Te4 -","4","1","","Weil, M.","Preparation, Thermal Behaviour and Crystal Structure of the Basic Mercury(II) Tetraoxotellurate(VI), Hg2TeO5, and Redetermination of the Crystal Structure of Mercury(II) Orthotellurate(VI), Hg3TeO6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","653","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536446","7.183","","8.343","","6.989","","90","","90","","90","","418.835","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cu Hg S I","","- Cu Hg I S -","- Cu Hg I S -","- Cu4 Hg4 I4 S4 -","4","1","","Keller, H.L.; Wimbert, L.","Ueber Muenzmetall - Quecksilber - Chalkogenidhalogenide. IV. Hydrothermalsynthese und Kristallstruktur von Cu Hg S I und Cu Hg2 S2 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536652","14.828","","9.599","","7.289","","90","","90","","90","","1037.47","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(Co (N H3)5 N O2) Cl (N O3)","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","1","","Podberezskaya, N.V.; Virovets, A.V.; Boldyreva, E.V.","Comparative study of crystal structures in (M (N H3)5 N O2) X Y and(M (N H3)5 O N O) X Y series. Crystal structure of (Co (N H3)5 N O2) Cl * (N O3)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","89","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536697","12.621","","9.477","","14.3122","","90","","90","","90","","1711.87","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Na3 (P O S3) (H2 O)11","","- H22 Na3 O12 P S3 -","- H22 Na3 O12 P S3 -","- H88 Na12 O48 P4 S12 -","4","1","","Pompetzki, M.; Jansen, M.","Crystal structures of Na3 P O2 S2 * 11(H2 O) and Na3 P O S3 * 11(H2 O)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2002","133","","975","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536754","9.128","","9.575","","5.595","","90","","90","","90","","489.006","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cs Mn P O4","","- Cs Mn O4 P -","- Cs Mn O4 P -","- Cs4 Mn4 O16 P4 -","4","1","","Yakubovich, O.V.; Simonov, M.A.; Mel'nikov, O.K.","Crystal structure of CsMnPO4","Kristallografiya","1990","35","","42","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537257","21.169","","4.176","","8.496","","90","","90","","90","","751.061","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C Br2 Se4 -","- C Br2 Se4 -","- C4 Br8 Se16 -","4","1","","Larsen, S.; Henriksen, L.","1,2,3-triselenetan-4-(Se,Se-dibromoselone); C Br2 Se4, crystal structure and mechanism of formation","Acta Chemica Scandinavica, Series A: (28,1974-)","1984","38","","289","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537521","11.338","","9.981","","15.675","","90","","90","","90","","1773.85","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","((C H3)2 N H2)2 Cu Cl4 ((C H3)2 N H2) Cl","","- C6 H24 Cl5 Cu N3 -","- C6 H24 Cl5 Cu N3 -","- C24 H96 Cl20 Cu4 N12 -","4","1","","Kirpichnikova, L.F.; Pietraszko, A.; Bednarski, W.; Sheleg, A.U.; Waplak, S.","Crystal structure and phase transitions in the new crystals of ((C H3)2 N H2)2 Cu Cl4 ((C H3)2 N H2) Cl","Kristallografiya","2004","49","","92","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537557","12.993","","6.471","","10.661","","90","","90","","90","","896.352","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K ((Ti0.47 Sn0.53) O) (P O4)","","- K O5 P Sn0.53 Ti0.47 -","- K O5 P Sn0.5255 Ti0.4745 -","- K8 O40 P8 Sn4.204 Ti3.796 -","8","2","","Krotova, O.D.; Sorokina, N.I.; Verin, I.A.; Voronkova, V.I.; Yanovskii, V.K.; Simonov, V.I.","Structure and properties of single crystals of tin-doped potassium titanyl phosphate","Kristallografiya","2003","48","","992","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537558","13.076","","6.504","","10.69","","90","","90","","90","","909.145","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K ((Ti0.25 Sn0.75) O) (P O4)","","- K O5 P Sn0.75 Ti0.25 -","- K O5 P Sn0.747 Ti0.253 -","- K8 O40 P8 Sn5.976 Ti2.024 -","8","2","","Krotova, O.D.; Sorokina, N.I.; Verin, I.A.; Voronkova, V.I.; Yanovskii, V.K.; Simonov, V.I.","Structure and properties of single crystals of tin-doped potassium titanyl phosphate","Kristallografiya","2003","48","","992","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539599","10.805","","3.4955","","12.4605","","90","","90","","90","","470.619","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Y2 Cu2 O5","","- Cu2 O5 Y2 -","- Cu2 O5 Y2 -","- Cu8 O20 Y8 -","4","1","","Aride, J.; Flandrois, S.","New investigations on magnetic and neutron diffraction properties of Y2Cu2 O5 and related oxides","Solid State Communications","1989","72","","459","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","168552","2020-10-21","18:00:00",""
"1539607","24.49","","6.752","","5.457","","90","","90","","90","","902.35","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","Asbrink, S.; Kihlborg, L.","A study of the crystal symmetry and structure of orthorhombic Mo4 O11 by least-squares techniques","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1571","1573","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539958","14.182","","5.788","","10.1","","90","","90","","90","","829.063","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sr2 (Cr O4)","","- Cr O4 Sr2 -","- Cr O4 Sr2 -","- Cr8 O32 Sr16 -","8","2","","Wilhelmi, K.A.","The crystal structure of strontium chromate(IV), Sr2 Cr O4","Arkiv foer Kemi","1967","26","","157","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540330","8.297","","9.417","","5.413","","90","","90","","90","","422.933","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Tl1.1 (Al Si O4)","","- Al O4 Si Tl1.1 -","- Al O4 Si Tl1.1 -","- Al4 O16 Si4 Tl4.4 -","4","1","","Krogh Andersen, I.G.; Krogh Andersen, E.; Norby, P.; Colella, C.; de'Gennaro, M.","Synthesis and structure of an ABW type thallium alumosilicate","Zeolites","1991","11","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540601","7.5747","0.0003","10.8659","0.0005","20.7341","0.0009","90","","90","","90","","1706.54","0.13","300","2","300","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Karmakar, Raju; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K.","Ni(II)-Catalyzed Highly Stereo- and Regioselective Syntheses of Isoindolinones and Isoquinolinones from in Situ Prepared Aldimines Triggered by Homoallylation/Lactamization Cascade.","Organic letters","2015","17","22","5650","5653","10.1021/acs.orglett.5b02932","","","0.71073","MoKα","","0.0734","0.0464","","","0.1273","0.1463","","","","","","1.039","","","","has coordinates","170751","2020-10-21","18:00:00",""
"1540651","16.3535","0.0018","12.5257","0.0013","7.6117","0.0008","90","","90","","90","","1559.2","0.3","113","","113","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H24 Br2 Fe N4 -","- C11 H24 Br2 Fe N4 -","- C44 H96 Br8 Fe4 N16 -","4","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","","","0.0643","","","","0.1631","","","","","","0.886","","","","has coordinates","176208","2020-10-21","18:00:00",""
"1540735","10.2721","0.0015","12.99","0.0019","9.383","0.0014","90","","90","","90","","1252","0.3","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Piechowicz, Marek; Abney, Carter W.; Zhou, Xin; Thacker, Nathan C.; Li, Zhong; Lin, Wenbin","Design, Synthesis, and Characterization of a Bifunctional Chelator with Ultrahigh Capacity for Uranium Uptake from Seawater Simulant","Industrial & Engineering Chemistry Research","2016","55","15","4170","","10.1021/acs.iecr.5b03304","","","0.41328","","","0.1045","0.0602","","","0.126","0.1437","","","","","","1.015","","","","has coordinates","182491","2020-10-21","18:00:00",""
"1540872","10.439","","6.584","","6.545","","90","","90","","90","","449.84","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Li P5 -","- Li P5 -","- Li4 P20 -","4","1","","von Schnering, H.G.; Wichelhaus, W.","Die Lithiumphosphide Li P5 und Li P7","Naturwissenschaften","1972","59","","78","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541006","11.786","","17.9719","","7.9336","","90","","90","","90","","1680.47","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ba Zn (O H)4 (H2 O)","","- Ba H6 O5 Zn -","- Ba H6 O5 Zn -","- Ba12 H72 O60 Zn12 -","12","3","","Stahl, R.; Jacobs, H.","Synthese und Kristallstruktur von Ba Zn (O H)4 . (H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","","21","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1541071","12.799","","6.324","","10.606","","90","","90","","90","","858.459","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na (Sb O) (Si O4)","","- Na O5 Sb Si -","- Na O5 Sb Si -","- Na8 O40 Sb8 Si8 -","8","2","","Pagnoux, C.; Favard, J.F.; Piffard, Y.; Verbaere, A.; Tournoux, M.","Crystal structure of Na Sb O Si O4","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1992","314","","151","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541296","10.5659","","8.2053","","5.0247","","90","","90","","90","","435.623","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li Ga (Si O4) (D2 O).9","","- D1.8 Ga Li O4.9 Si -","- D0.29 Ga Li O4.9 Si0.98 -","- D1.16 Ga4 Li4 O19.6 Si3.92 -","4","1","","Newsam, J.M.","Synthesis and structural characterization of a lithium gallosilicate with the zeolite abw framework","Journal of Physical Chemistry","1988","92","","445","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541297","10.465","","8.2113","","5.0268","","90","","90","","90","","431.959","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li Ga (Si O4) (D2 O)","","- D2 Ga Li O5 Si -","- D0.26 Ga Li O5 Si0.97 -","- D1.04 Ga4 Li4 O20 Si3.88 -","4","1","","Newsam, J.M.","Synthesis and structural characterization of a lithium gallosilicate with the zeolite abw framework","Journal of Physical Chemistry","1988","92","","445","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541424","17.738","","15.596","","10.357","","90","","90","","90","","2865.18","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(Ru (C O)4)4 (Pt (C O))2","","- C18 O18 Pt2 Ru4 -","- C18 O18 Pt2 Ru4 -","- C72 O72 Pt8 Ru16 -","4","1","","Antonucci, V.; Arico, A.S.; Marchetti, F.; Calderazzo, F.; Labella, L.","A new polymorph of the heteronuclear cluster Ru4 Pt2 (C O)18","Journal of Cluster Science","2001","12","","293","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","172752","2020-10-21","18:00:00",""
"1541510","28.325","","10.812","","11.047","","90","","90","","90","","3383.14","","","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","Na Cs ((C H3 (S O2))2 N)2 (H2 O)1.5","","- C4 H15 Cs N2 Na O9.5 S4 -","- C4 H15 Cs N2 Na O9.5 S4 -","- C32 H120 Cs8 N16 Na8 O76 S32 -","8","2","","Moers, O.; Blaschette, A.; Jones, P.G.","Polysulfonylamine.CLXII.Kristallstrukturen von Metall-di(sulfonyl)amiden. Das orthorhombische Doppelsalz Na2 Cs2 ((C H3 S O2)2 N)4 . 3(H2 O): ein dreidimensionales Koordinationspolymer aus (Caesium-Anion-Wasser)-Schichten und intercalierten Natriumionen.","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","989","997","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1541800","13.504","","7.4447","","8.2059","","90","","90","","90","","824.966","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(N H2 (C H3)2) (Cu2 (C N)3)","","- C5 H8 Cu2 N4 -","- C5 H8 Cu2 N4 -","- C20 H32 Cu8 N16 -","4","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","173299","2020-10-21","18:00:00",""
"1541848","13.47","","8.5292","","9.7818","","90","","90","","90","","1123.81","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K3 (V O (C N)5)","","- C5 K3 N5 O V -","- C5 K3 N5 O V -","- C20 K12 N20 O4 V4 -","4","1","","Jagner, S.; Vannerberg, N.G.","The crystal structure of potassium oxopentacyanovanadate(IV), K3 (V O (C N)5)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","3482","3498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541973","12.331","","8.379","","9.293","","90","","90","","90","","960.166","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(N H4)2 Sn Cl3 Cl (H2 O)","","- Cl4 H10 N2 O Sn -","- Cl4 H10 N2 O Sn -","- Cl16 H40 N8 O4 Sn4 -","4","1","","Harrison, P.G.; Haylett, B.J.; King, T.J.","The Crystal and Molecular Structure of Di-Ammonium Trichlorostannate(II) Chloride Monohydrate. Structural Correlations for Chlorotin(II) Derivatives","Inorganica Chimica Acta","1983","75","","265","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1541984","12.37","","12.144","","6.433","","90","","90","","90","","966.373","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Co (N H3)5 C O3 Br H2 O","","- C H17 Br Co N5 O4 -","- C H17 Br Co N5 O4 -","- C4 H68 Br4 Co4 N20 O16 -","4","1","","Freeman, H.C.; Robinson, G.","The Crystal Structure of Carbonatopenta-ammine-cobalt(III) Bromide Hydrate","Journal of the Chemical Society","1965","1965","","3194","3200","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542323","18.9411","0.001","8.6917","0.0004","33.5158","0.0017","90","","90","","90","","5517.7","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0796","0.0507","","","0.1083","0.1243","","","","","","1.01","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542324","19.087","0.007","8.742","0.003","33.634","0.012","90","","90","","90","","5612","3","150","2","150.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0838","0.045","","","0.0713","0.0817","","","","","","0.864","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542325","18.969","0.006","8.681","0.003","33.397","0.01","90","","90","","90","","5499","3","180.15","","180.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.1258","0.0508","","","0.0868","0.124","","","","","","0.845","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542326","19.2853","0.0015","8.727","0.0007","33.589","0.003","90","","90","","90","","5653.1","0.8","300","2","300","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0757","0.0482","","","0.1173","0.1483","","","","","","1.046","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542327","18.967","0.003","8.6864","0.0012","33.532","0.005","90","","90","","90","","5524.6","1.4","130.15","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0854","0.0451","","","0.0783","0.0888","","","","","","0.872","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542328","19.074","0.006","8.705","0.003","33.611","0.01","90","","90","","90","","5581","3","190","","190","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0799","0.0475","","","0.071","0.0829","","","","","","1.018","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542373","10.8282","0.0006","8.7931","0.0004","19.9988","0.001","90","","90","","90","","1904.15","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","","Thikekar, Tushar Ulhas; Selvaraju, Manikandan; Sun, Chung-Ming","Skeletally Diverse Synthesis of Indole-Fused Diazocine and Diazepine Frameworks by One-Pot, Two-Component Cascade Reaction.","Organic letters","2016","18","2","316","319","10.1021/acs.orglett.5b03481","","","0.71073","MoKα","","0.0413","0.0346","","","0.0747","0.0777","","","","","","1.022","","","","has coordinates","175734","2020-10-21","18:00:00",""
"1542396","8.233","0.003","5.5792","0.0018","34.637","0.011","90","","90","","90","","1591","0.9","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","","Laha, Radha M.; Khamarui, Saikat; Manna, Saikat K.; Maiti, Dilip K.","In Situ Generated Ag(II)-Catalyzed Selective Oxo-Esterification of Alkyne with Alcohol to α-Ketoester: Photophysical Study.","Organic letters","2016","18","1","144","147","10.1021/acs.orglett.5b03484","","","0.71073","MoKα","","0.0532","0.0511","","","0.1424","0.1439","","","","","","1.087","","","","has coordinates","175756","2020-10-21","18:00:00",""
"1542519","25.1411","0.0018","5.6851","0.0004","5.1593","0.0003","90","","90","","90","","737.42","0.09","120","2","120.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Bromo-1<i>H</i>-indole-2,3-dione","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","FF4002","Gurung, Sita; Golen, James A.; Manke, David R.","5-Bromo-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160177","","10.1107/S2414314616001772","","","0.71073","MoKα","","0.0297","0.025","","","0.053","0.0543","","","","","","1.121","","","","has coordinates,has Fobs","177497","2020-10-21","18:00:00",""
"1542643","16.262","0.003","8.2789","0.0017","15.194","0.003","90","","90","","90","","2045.6","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H21 B F2 N2 -","- C24 H21 B F2 N2 -","- C96 H84 B4 F8 N8 -","4","1","","Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization.","Organic letters","2016","18","4","736","739","10.1021/acs.orglett.5b03706","","","0.71073","MoKα","","0.099","0.049","","","0.1086","0.1349","","","","","","1.006","","","","has coordinates","177299","2020-10-21","18:00:00",""
"1542644","17.9538","0.0017","8.2467","0.0008","14.4494","0.0014","90","","90","","90","","2139.4","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","1e","","","- C25 H23 B F2 N2 O -","- C25 H23 B F2 N2 O -","- C100 H92 B4 F8 N8 O4 -","4","1","","Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization.","Organic letters","2016","18","4","736","739","10.1021/acs.orglett.5b03706","","","0.71073","MoKα","","0.0372","0.0322","","","0.0848","0.0884","","","","","","1.038","","","","has coordinates","177299","2020-10-21","18:00:00",""
"1542730","22.283","0.003","10.1485","0.0015","6.7864","0.0011","90","","90","","90","","1534.7","0.4","293","2","293","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.049","0.0455","","","0.1115","0.1144","","","","","","1.077","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542986","54.734","0.011","27.619","0.006","35.243","0.007","90","","90","","90","","53277","19","223","2","223","1","","","","","","","","7","P n a 21","P 2c -2n","33","","Cd-Nd-cluster","","- C342 H428 Cd24 Cl7 N24 Nd8 O128 -","- C342 H428 Cd24 Cl7 N24 Nd8 O128 -","- C1368 H1712 Cd96 Cl28 N96 Nd32 O512 -","4","1","","Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming","Anisotropic lanthanide-based nano-clusters for imaging applications.","Faraday discussions","2016","191","","465","","10.1039/c6fd00018e","","","0.710747","MoKα","","0.1213","0.1018","","","0.2608","0.2844","","","","","","1.047","","","","has coordinates","187152","2020-10-21","18:00:00",""
"1542987","54.106","0.011","27.127","0.005","34.876","0.007","90","","90","","90","","51189","17","223","2","223","1","","","","","","","","7","P n a 21","P 2c -2n","33","","Cd-Tb-cluster","","- C342 H428 Cd24 Cl7 N24 O128 Tb8 -","- C342 H428 Cd24 Cl7 N24 O128 Tb8 -","- C1368 H1712 Cd96 Cl28 N96 O512 Tb32 -","4","1","","Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming","Anisotropic lanthanide-based nano-clusters for imaging applications.","Faraday discussions","2016","191","","465","","10.1039/c6fd00018e","","","0.710747","MoKα","","0.2224","0.1038","","","0.2098","0.2575","","","","","","0.94","","","","has coordinates","187152","2020-10-21","18:00:00",""
"1543017","13.7574","0.0006","8.8592","0.0003","18.0333","0.0006","90","","90","","90","","2197.89","0.14","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H7 B F15 N -","- C24 H7 B F15 N -","- C96 H28 B4 F60 N4 -","4","1","","Zhang, Zhenbei; Miao, Chengxia; Xia, Chungu; Sun, Wei","Synergistic Acid-Catalyzed Synthesis of N-Aryl-Substituted Azacycles from Anilines and Cyclic Ethers.","Organic letters","2016","18","7","1522","1525","10.1021/acs.orglett.6b00157","","x-ray","0.71073","MoKα","","0.0539","0.0409","","","0.0765","0.0855","","","","","","1.058","","","","has coordinates","181408","2020-10-21","18:00:00",""
"1543038","14.824","0.003","8.2946","0.0017","16.924","0.003","90","","90","","90","","2081","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one","","- C27 H19 Cl N2 O -","- C27 H19 Cl N2 O -","- C108 H76 Cl4 N8 O4 -","4","1","BH4004","Raja, Rajamani; Kandhasamy, Subramani; Narayanan, Uma Maheswari; Perumal, Paramasivam T.; Dhanapal, Ramu","1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one","IUCrData","2016","1","4","x160529","","10.1107/S2414314616005290","","","0.71073","MoKα","","0.0517","0.0344","","","0.0819","0.0934","","","","","","1.055","","","","has coordinates,has Fobs","181831","2020-10-21","18:00:00",""
"1543044","16.7707","0.0005","12.8886","0.0003","24.1907","0.0006","90","","90","","90","","5228.8","0.2","180","2","180.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H39 Cl10 N7 O8 Ru -","- C50 H39 Cl10 N7 O8 Ru -","- C200 H156 Cl40 N28 O32 Ru4 -","4","1","","Zhu, Ben-Zhan; Chao, Xi-Juan; Huang, Chun-Hua; Li, Yan","Delivering the cell-impermeable DNA ‘light-switching’ Ru(ii) complexes preferentially into live-cell nucleus via an unprecedented ion-pairing method","Chem. Sci.","2016","7","7","4016","","10.1039/C5SC03796D","","","0.71073","MoKα","","0.0353","0.0314","","","0.0755","0.0783","","","","","","1.088","","","","has coordinates","185118","2020-10-21","18:00:00",""
"1543107","8.6706","0.0002","7.72008","0.00019","11.4872","0.0003","90","","90","","90","","768.93","0.03","123","3","123","3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0299","0.0233","","","0.0512","0.0541","","","","","","1.059","","","","has coordinates","185163","2020-10-21","18:00:00",""
"1543108","8.61779","0.00012","7.73073","0.0001","11.50052","0.00016","90","","90","","90","","766.185","0.018","119.8","0.6","119.8","0.6","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7.5 N1.5 O6.5 Zn -","- C3 H7.5 N1.5 O6.5 Zn -","- C12 H30 N6 O26 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0393","0.0264","","","0.0537","0.0581","","","","","","1.028","","","","has coordinates,has disorder","185163","2020-10-21","18:00:00",""
"1543192","20.259","","10.585","","9.94","","90","","90","","90","","2131.55","","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","p-P4A2","","- C28 H20 O2 -","- C28 H20 O2 -","- C112 H80 O8 -","4","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.047","0.0445","","","0.1009","0.1035","","","","","","1.096","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543455","18.2964","0.0014","7.1388","0.0006","10.3574","0.0006","90","","90","","90","","1352.82","0.17","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Piperazin-1-ium 4-aminobenzoate monohydrate","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C44 H76 N12 O12 -","4","1","SJ4036","Sivakumar, P.; Mani, A.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.","Piperazin-1-ium 4-aminobenzoate monohydrate","IUCrData","2016","1","5","x160819","","10.1107/S2414314616008191","","","0.71073","MoKα","","0.0654","0.0378","","","0.0794","0.0911","","","","","","1.058","","","","has coordinates,has Fobs","183620","2020-10-21","18:00:00",""
"1543515","7.1624","0.0011","7.4352","0.0013","33.215","0.005","90","","90","","90","","1768.8","0.5","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H10 F4 I N3 -","- C20 H10 F4 I N3 -","- C80 H40 F16 I4 N12 -","4","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0234","0.0219","","","0.0517","0.052","","","","","","1.011","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543619","11.374","0.002","14.363","0.003","5.05","0.002","90","","90","","90","","825","0.4","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","Veratraldehyde","3,4-Dimethoxybenzaldehyde","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","HB4058","de Ronde, Erik; Brugman, Sander J.T.; Koning, Niels; Tinnemans, Paul; Vlieg, Elias","3,4-Dimethoxybenzaldehyde","IUCrData","2016","1","7","x161008","","10.1107/S2414314616010087","","","0.71073","MoKα","","0.0467","0.035","","","0.0899","0.0969","","","","","","1.028","","","","has coordinates,has Fobs","184292","2020-10-21","18:00:00",""
"1543723","11.8036","0.0009","21.3495","0.0016","7.9601","0.0006","90","","90","","90","","2006","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C92 H96 Br4 N4 O4 -","4","1","","Li, Yang; Pan, Gao-Hui; Hu, Ming; Liu, Bang; Song, Ren-Jie; Li, Jin-Heng","Intermolecular Oxidative Decarbonylative [2+2+2] Carbocyclization of N-(2-Ethynylaryl)acrylamides with Tertiary Alkyl Aldehydes involving C(sp3)-H Functionalization","Chem. Sci.","2016","","","","","10.1039/C6SC02451C","","","0.71073","MoKα","","0.0496","0.0318","","","0.0656","0.0707","","","","","","1.004","","","","has coordinates","184594","2020-10-21","18:00:00",""
"1543805","18.3425","0.0003","10.4967","0.0002","52.3489","0.0011","90","","90","","90","","10079","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H23 N O4 S -","- C30 H23 N O4 S -","- C480 H368 N16 O64 S16 -","16","4","","Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K.","Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones.","Organic letters","2016","18","13","3066","3069","10.1021/acs.orglett.6b01149","","","1.54184","CuKα","","0.0713","0.0578","","","0.1295","0.1383","","","","","","1.071","","","","has coordinates","184888","2020-10-21","18:00:00",""
"1543806","11.9577","0.0013","33.256","0.003","8.9182","0.0007","90","","90","","90","","3546.5","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C184 H136 N8 O16 -","8","2","","Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K.","Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones.","Organic letters","2016","18","13","3066","3069","10.1021/acs.orglett.6b01149","","","0.71073","MoKα","","0.209","0.0908","","","0.1106","0.1372","","","","","","1.046","","","","has coordinates","184889","2020-10-21","18:00:00",""
"1543810","17.8024","0.0009","7.7552","0.0004","17.7401","0.0012","90","","90","","90","","2449.2","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","2","","Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie","""One-Pot"" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides.","Organic letters","2016","18","10","2411","2414","10.1021/acs.orglett.6b00923","","x-ray","0.71073","MoKα","","0.0969","0.0506","","","0.0903","0.1113","","","","","","1.023","","","","has coordinates","184893","2020-10-21","18:00:00",""
"1543811","7.0519","0.0003","23.5069","0.0009","7.5339","0.0003","90","","90","","90","","1248.88","0.09","291","2","291.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie","""One-Pot"" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides.","Organic letters","2016","18","10","2411","2414","10.1021/acs.orglett.6b00923","","x-ray","1.54184","CuKα","","0.0467","0.0391","","","0.0961","0.1018","","","","","","1.039","","","","has coordinates","184894","2020-10-21","18:00:00",""
"1543817","23.544","0.002","6.96","0.0005","24.234","0.002","90","","90","","90","","3971.1","0.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H22 Br N O3 S -","- C21 H22 Br N O3 S -","- C168 H176 Br8 N8 O24 S8 -","8","2","","Yeh, Ming-Chang P; Shiue, Yuan-Shin; Lin, Hsin-Hui; Yu, Tzu-Yu; Hu, Ting-Chia; Hong, Jia-Jyun","Iron(II) Halide Promoted Cyclization of Cyclic 2-Enynamides: Stereoselective Synthesis of Halogenated Bicyclic γ-Lactams.","Organic letters","2016","18","10","2407","2410","10.1021/acs.orglett.6b00916","","","0.71073","MoKα","","0.0795","0.0554","","","0.1228","0.1334","","","","","","0.955","","","","has coordinates","184900","2020-10-21","18:00:00",""
"1543875","19.7608","0.0006","12.4156","0.0004","5.0776","0.0002","90","","90","","90","","1245.75","0.07","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide","","- C12 H9 Br F N O2 S -","- C12 H9 Br F N O2 S -","- C48 H36 Br4 F4 N4 O8 S4 -","4","1","LH4010","Rodrigues, Vinola Z.; Suchetan, P. A.; Saritha, L.; Lokanath, N. K.; Naveen, S.","4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide","IUCrData","2016","1","8","x161256","","10.1107/S2414314616012566","","","1.54178","CuKα","","0.0346","0.0334","","","0.0823","0.0833","","","","","","1.034","","","","has coordinates,has Fobs","185717","2020-10-21","18:00:00",""
"1544062","16.7541","0.0018","11.0261","0.0011","7.2064","0.0007","90","","90","","90","","1331.3","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Amino-4-methylpyridinium 4-methylbenzoate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","HB4078","Sivakumar, P.; Anzline, C.; Israel, S.; Chakkaravarthi, G.","2-Amino-4-methylpyridinium 4-methylbenzoate","IUCrData","2016","1","9","x161411","","10.1107/S2414314616014115","","","0.71073","MoKα","","0.0584","0.0386","","","0.0867","0.1018","","","","","","1.108","","","","has coordinates,has Fobs","186499","2020-10-21","18:00:00",""
"1544274","6.2844","0.0002","11.7141","0.0005","21.6006","0.001","90","","90","","90","","1590.15","0.11","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one","","- C18 H16 Cl F2 N O -","- C18 H16 Cl F2 N O -","- C72 H64 Cl4 F8 N4 O4 -","4","1","BV4004","Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Kaur, Manpreet; Jasinski, Jerry P.","3-Chloro-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one","IUCrData","2016","1","10","x161580","","10.1107/S2414314616015807","","","1.54184","CuKα","","0.0512","0.0488","","","0.1198","0.1224","","","","","","1.075","","","","has coordinates,has Fobs","187281","2020-10-21","18:00:00",""
"1544302","17.7436","0.0016","10.851","0.0011","7.5217","0.0007","90","","90","","90","","1448.2","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.1506","0.0685","","","0.1328","0.1629","","","","","","1.011","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544305","21.105","0.004","6.5848","0.0011","11.241","0.002","90","","90","","90","","1562.2","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H20 N2 O0 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1286","0.0745","","","0.1295","0.1467","","","","","","1.065","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544400","14.3387","0.0016","25.331","0.003","9.8536","0.0012","90","","90","","90","","3579","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate","","- C40 H42 N2 O11 -","- C40 H42 N2 O11 -","- C160 H168 N8 O44 -","4","1","BH4016","Kim, Jong Sik; Lee, Jai Young; Lee, So Yeon; Lee, Tae Yeon; Sim, Wonbo","5,31-Diaza-2,8,15,18,21,28,34,41,44,47-decaoxaheptacyclo[46.4.0.0^4,32^.0^6,30^.0^9,14^.0^22,27^.0^35,40^]dopentaconta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-pentadecaene monohydrate","IUCrData","2016","1","10","x161698","","10.1107/S2414314616016989","","","0.71073","MoKα","","0.1199","0.0473","","","0.0756","0.1055","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","187670","2020-10-21","18:00:00",""
"1544401","8.9099","0.0012","24.55","0.003","7.2359","0.0011","90","","90","","90","","1582.8","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","SU4083","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Mahendra, M.","6-<i>tert</i>-Butyl-4-[(4-hydroxymethyl-2<i>H</i>-1,2,3-triazol-2-yl)methyl]-2<i>H</i>-chromen-2-one","IUCrData","2016","1","10","x161618","","10.1107/S2414314616016187","","","1.54178","CuKα","","0.0301","0.0299","","","0.0797","0.0799","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","187671","2020-10-21","18:00:00",""
"1544453","10.427","0.002","3.2112","0.0005","12.069","0.002","90","","90","","90","","404.11","0.12","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","Sc2Cu1.6Co0.4O5","","","- Co0.4 Cu1.6 O5 Sc2 -","- Co0.4 Cu1.6 O5 Sc2 -","- Co1.6 Cu6.4 O20 Sc8 -","4","1","","Imanaka, N.; Shimizu, T.; Saito, F.; Kobayashi, Y.; Adachi, G.; Liu, G.; Greedan, Edward, J.","Structure and magnetic properties of quasi-one dimensional cobalt-doped scandium cuprate compounds","Journal of the Ceramic Society of Japan","1995","103","","330","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","187766","2020-10-21","18:00:00",""
"1544528","21.1951","0.0006","4.028","0.0001","11.9433","0.0003","90","","90","","90","","1019.65","0.05","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^2^<i>S</i>:<i>S</i>]","","- C2 H8 Cl2 N4 Pb S2 -","- C2 H8 Cl2 N4 Pb S2 -","- C8 H32 Cl8 N16 Pb4 S8 -","4","1","WM4030","Zouihri, Hafid; Yamni, Khalid; Messouss, Youssef; Tijani, Najib; Messaoudi, Lahcen","Redetermination of <i>catena</i>-poly[[chloridolead(II)]-μ~2~-chlorido-di-μ~2~-thiourea-κ^4^<i>S</i>:<i>S</i>] at 100K","IUCrData","2016","1","11","x161745","","10.1107/S2414314616017454","","","0.71073","MoKα","","0.0204","0.0181","","","0.0406","0.0412","","","","","","1.041","","","","has coordinates,has Fobs","188341","2020-10-21","18:00:00",""
"1544709","9.0504","0.0002","9.0612","0.0001","14.3565","0.0002","90","","90","","90","","1177.34","0.03","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C48 H56 N16 O8 -","4","1","","Bouayyadi, Abdellatif; Moussaif, Ahmed; Mesfioui, Abdelhalim; Mzibri, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","3-[2-(2-Amino-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one","IUCrData","2016","1","12","x161895","","10.1107/S2414314616018952","","","0.71073","MoKα","","0.0388","0.0354","","","0.0965","0.0995","","","","","","1.068","","","","has coordinates,has Fobs","188862","2020-10-21","18:00:00",""
"1544758","38.962","0.002","11.0406","0.0006","18.1487","0.0009","90","","90","","90","","7806.9","0.7","293","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","Compound 1'","[SiP(NMe)3]FeCl","","- C39 H51 Cl Fe N3 P3 Si -","- C39 H47 Cl Fe N3 P3 Si -","- C312 H376 Cl8 Fe8 N24 P24 Si8 -","8","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0532","0.0481","","","0.1089","0.1108","","","","","","1.158","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544870","20.522","0.003","9.339","0.004","5.558","0.002","90","","90","","90","","1065.2","0.6","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","Ca1.55Sr0.45SiO4","","alpha'L form of Ca1.55Sr0.45SiO4","- Ca1.55 O4 Si Sr0.45 -","- Ca1.55333 O4 Si Sr0.446667 -","- Ca18.64 O48 Si12 Sr5.36 -","12","3","","Itoh, H.; Nishi, F.; Kuribayashi, T.; Kudoh, Y.","Orientational ordering of three SiO4 tetrahedra in alpha'L-Ca1.5Sr0.5SiO4 that satisfies bond-valence requirements and avoids O-O replusion","Journal of Mineralogical and Petrological Sciences","2009","104","","234","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","189387","2020-10-21","18:00:00",""
"1544942","20.2861","0.0008","24.7581","0.0009","31.1511","0.0012","90","","90","","90","","15645.5","1","113","2","113.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H25 Cl N2 O3 -","- C30 H25 Cl N2 O3 -","- C720 H600 Cl24 N48 O72 -","24","6","","Zhao, Hong-Wu; Liu, Yue-Yang; Zhao, Yu-Di; Pang, Hai-Liang; Chen, Xiao-Qin; Song, Xiu-Qing; Tian, Ting; Li, Bo; Yang, Zhao; Du, Juan; Feng, Ning-Ning","[3 + 2] Cycloaddition of Oxazol-5-(4H)-ones with Nitrones for Diastereoselective Synthesis of Isoxazolidin-5-ones.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03206","","","0.71073","MoKα","","0.0437","0.0358","","","0.0856","0.0897","","","","","","1.019","","","","has coordinates","189697","2020-10-21","18:00:00",""
"1545044","31.531","0.003","4.2752","0.0004","14.108","0.0013","90","","90","","90","","1901.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C11 H8 F N O2 -","- C11 H8 F N O2 -","- C88 H64 F8 N8 O16 -","8","2","VM4020","Qachchachi, Fatim-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ouzidan, Younes; Essassi, El Mokhtar","5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","IUCrData","2017","2","1","x170028","","10.1107/S2414314617000281","","","1.54178","CuKα","","0.0796","0.0726","","","0.1771","0.1888","","","","","","1.096","","","","has coordinates,has Fobs","190500","2020-10-21","18:00:00",""
"1545200","16.6863","0.0007","4.1596","0.0002","12.8685","0.0006","90","","90","","90","","893.18","0.07","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H7 Cl O3 -","- C10 H7 Cl O3 -","- C40 H28 Cl4 O12 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0487","0.0437","","","0.1113","0.1338","","","","","","1.188","","","","has coordinates","191276","2020-10-21","18:00:00",""
"1545230","11.204","0.004","16.267","0.005","7.421","0.002","90","","90","","90","","1352.5","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H14 F N O -","- C17 H14 F N O -","- C68 H56 F4 N4 O4 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions.","Organic letters","2017","19","1","262","265","10.1021/acs.orglett.6b03558","","","0.71073","MoKα","","0.1393","0.0542","","","0.1425","0.1799","","","","","","0.985","","","","has coordinates","191322","2020-10-21","18:00:00",""
"1545281","16.693","0.006","16.565","0.006","9.888","0.004","90","","90","","90","","2734.2","1.8","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","none(PNP)Rh=CF2","(PNP)Rh=CF2","","- C27 H40 F2 N P2 Rh -","- C27 H40 F2 N P2 Rh -","- C108 H160 F8 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.053","0.0357","","","0.0751","0.0828","","","","","","1.062","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545282","20.427","0.005","19.756","0.005","11.606","0.003","90","","90","","90","","4684","2","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","[(PNP)RhCF][CHB11Cl11]","[(PNP)RhCF][CHB11Cl11]","","- C28 H41 B11 Cl11 F N P2 Rh -","- C28 H41 B11 Cl11 F N P2 Rh -","- C112 H164 B44 Cl44 F4 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.0683","0.059","","","0.1451","0.1511","","","","","","1.075","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545402","20.8281","0.0011","4.7751","0.0002","16.9177","0.0008","90","","90","","90","","1682.57","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H17 N3 O8 -","- C16 H17 N3 O8 -","- C64 H68 N12 O32 -","4","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","","0.0618","0.0432","","","0.1152","0.1427","","","","","","1.101","","","","has coordinates,has disorder","194879","2020-10-21","18:00:00",""
"1545526","12.6825","0.0002","14.4458","0.0002","13.1365","0.0002","90","","90","","90","","2406.72","0.06","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C128 H96 N8 -","4","1","","Kim, Og Soon; Jang, Jin Hyeok; Kim, Hyun Tae; Han, Su Jin; Tsui, Gavin Chit; Joo, Jung Min","Synthesis of Fluorescent Indazoles by Palladium-Catalyzed Benzannulation of Pyrazoles with Alkynes.","Organic letters","2017","19","6","1450","1453","10.1021/acs.orglett.7b00410","","","0.71073","MoKα","","0.0549","0.0447","","","0.1201","0.1263","","","","","","1.04","","","","has coordinates","194886","2020-10-21","18:00:00",""
"1545694","11.5218","0.0004","9.9089","0.0003","16.3736","0.0005","90","","90","","90","","1869.35","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","RD-1-181","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Dhungana, Roshan K.; Shrestha, Bijay; Thapa-Magar, Rajani; Basnet, Prakash; Giri, Ramesh","Pd-Catalyzed Regioselective 1,2-Dicarbofunctionalization of Unactivated Olefins by a Heck Reaction/Enolate Cyclization Cascade.","Organic letters","2017","19","8","2154","2157","10.1021/acs.orglett.7b00794","","","0.71073","MoKα","","0.0583","0.0416","","","0.0791","0.0858","","","","","","1.021","","","","has coordinates","196177","2020-10-21","18:00:00",""
"1545772","21.3916","0.0007","9.4099","0.0003","16.1292","0.0005","90","","90","","90","","3246.69","0.18","100","","100.04","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H38 Fe2 N6 O19 P2 -","- C19 H38 Fe2 N6 O19 P2 -","- C76 H152 Fe8 N24 O76 P8 -","4","1","","Du, Kang; Waters, Emily Alex; Harris, David David","Ratiometric Quantitation of Redox Status with a Molecular Fe2 Magnetic Resonance Probe","Chem. Sci.","2017","","","","","10.1039/C7SC00562H","","","0.71073","MoKα","","0.0508","0.0497","","","0.1165","0.117","","","","","","1.237","","","","has coordinates,has disorder","195607","2020-10-21","18:00:00",""
"1545968","7.1072","0.0005","23.128","0.002","10.8794","0.0011","90","","90","","90","","1788.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","cc185bc","","","- C18 H19 Br F3 N O2 S -","- C18 H19 Br F3 N O2 S -","- C72 H76 Br4 F12 N4 O8 S4 -","4","1","","Cendón, Borja; Casanova, Noelia; Comanescu, Cezar; García-Fandiño, Rebeca; Seoane, Andrés; Gulías, Moisés; Mascareñas, José L","Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.","Organic letters","2017","19","7","1674","1677","10.1021/acs.orglett.7b00467","","x-ray","0.71073","MoKα","","0.0541","0.0335","","","0.0583","0.0638","","","","","","1.021","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1546026","20.5266","","9.4963","","5.5897","","90","","90","","90","","1089.58","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","alpha1L dicalcium silicate","","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca24 O48 Si12 -","12","3","","Mumme, W.G.; Cranswick, L.; Chakoumakos, B.","Rietveld crystal structure refinement from high temperature neutron powder diffraction data for the polymorphs of dicalcium silicate","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1996","170","","171","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","196667","2020-10-21","18:00:00",""
"1546177","12.528","0.007","18.992","0.01","15.352","0.008","90","","90","","90","","3653","3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H56 Al N2 O3 Si3 Ti -","- C30 H56 Al N2 O3 Si3 Ti -","- C120 H224 Al4 N8 O12 Si12 Ti4 -","4","1","","Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John","Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity","Chem. Sci.","2017","","","","","10.1039/C7SC01835E","","","0.7749","synchrotron","","0.0325","0.0278","","","0.063","0.065","","","","","","1.037","","","","has coordinates","197118","2020-10-21","18:00:00",""
"1546216","18.3137","0.0012","12.486","0.0007","4.8092","0.0004","90","","90","","90","","1099.7","0.13","175.3","","175.3","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 F3 N O3 -","- C12 H8 F3 N O3 -","- C48 H32 F12 N4 O12 -","4","1","","Lv, Ningning; Chen, Zhengkai; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Functionalized Indenones via Rh-Catalyzed C-H Activation Cascade Reaction.","Organic letters","2017","19","10","2588","2591","10.1021/acs.orglett.7b00906","","","0.7107","MoKα","","0.0586","0.0474","","","0.1092","0.1178","","","","","","1.056","","","","has coordinates","197361","2020-10-21","18:00:00",""
"1546228","20.5163","0.001","16.682","0.0008","7.9278","0.0004","90","","90","","90","","2713.3","0.2","90","0.5","90","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H30 Cl2 N2 O3 S -","- C29 H30 Cl2 N2 O3 S -","- C116 H120 Cl8 N8 O12 S4 -","4","1","","Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy","Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.","Organic letters","2017","19","9","2414","2417","10.1021/acs.orglett.7b00962","","","0.71073","MoKα","","0.039","0.034","","","0.0841","0.0876","","","","","","1.038","","","","has coordinates","197373","2020-10-21","18:00:00",""
"1546362","11.629","0.008","12.235","0.008","5.656","0.004","90","","90","","90","","804.7","1","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C36 H48 O8 -","4","1","","Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran","A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.","Organic letters","2017","19","13","3592","3595","10.1021/acs.orglett.7b01573","","","0.71073","MoKα","","0.0834","0.0724","","","0.1755","0.184","","","","","","1.079","","","","has coordinates","200737","2020-10-21","18:00:00",""
"1546585","22.04","0.003","16.674","0.002","14.2441","0.0017","90","","90","","90","","5234.6","1.1","150","2","150.15","","","","","","","","","7","P n a 21","P 2c -2n","33","[Bis(NQMes)Au][AgCl2]","","","- C58 H52 Ag Au Cl2 N4 O4 -","- C58 H52 Ag Au Cl2 N4 O4 -","- C232 H208 Ag4 Au4 Cl8 N16 O16 -","4","1","","McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan","Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC02153D","","","0.71073","MoKα","","0.0297","0.0238","","","0.0645","0.0672","","","","","","1.037","","","","has coordinates","198905","2020-10-21","18:00:00",""
"1546591","17.429","0.011","12.471","0.008","13.016","0.008","90","","90","","90","","2829","3","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","","0.71073","MoKα","","0.0914","0.0525","","","0.1326","0.1683","","","","","","1.023","","","","has coordinates","200761","2020-10-21","18:00:00",""
"1546646","22.569","0.006","5.1097","0.0013","13.497","0.003","90","","90","","90","","1556.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","","- C15 H20 Br N3 O2 -","- C15 H20 Br N3 O2 -","- C60 H80 Br4 N12 O8 -","4","1","ZQ4022","Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione","IUCrData","2017","2","7","x170984","","10.1107/S2414314617009841","","","0.71073","MoKα","","0.0917","0.068","","","0.1472","0.156","","","","","","1.064","","","","has coordinates,has Fobs","199240","2020-10-21","18:00:00",""
"1546651","12.035","0.0005","24.5052","0.0009","4.9909","0.0002","90","","90","","90","","1471.92","0.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","SJ4112","Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T.","2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile","IUCrData","2017","2","5","x170706","","10.1107/S2414314617007064","","","1.54178","CuKα","","0.0484","0.0446","","","0.1108","0.1139","","","","","","1.075","","","","has coordinates,has Fobs","199245","2020-10-21","18:00:00",""
"1546670","20.333","0.0004","14.2764","0.0003","4.5089","0.0001","90","","90","","90","","1308.85","0.05","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","","- C13 H12 N6 O2 -","- C13 H12 N6 O2 -","- C52 H48 N24 O8 -","4","1","SJ4100","Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Gaamoussi, Issam; Ouzidan, Younes","4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole","IUCrData","2017","2","4","x170515","","10.1107/S2414314617005156","","","1.54178","CuKα","","0.0329","0.0292","","","0.0673","0.0697","","","","","","1.046","","","","has coordinates,has Fobs","199264","2020-10-21","18:00:00",""
"1546728","14.152","0.002","9.8983","0.0016","15.9939","0.0019","90","","90","","90","","2240.4","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","MeN(CH~2~CMe~2~OH)~2~","1-[(2-Hydroxy-2-methylpropyl)methylamino]-2-methylpropan-2-ol","","- C9 H21 N O2 -","- C9 H21 N O2 -","- C72 H168 N8 O16 -","8","2","BT4050","Lutter, Michael; Gock, Vinusuya; Jurkschat, Klaus","The amino alcohol MeN(CH~2~CMe~2~OH)~2~","IUCrData","2017","2","6","x170799","","10.1107/S2414314617007994","","","0.71073","MoKα","","0.1212","0.0391","","","0.0413","0.045","","","","","","0.8","","","","has coordinates,has Fobs","199324","2020-10-21","18:00:00",""
"1546842","28.9068","0.0004","7.9025","0.0001","8.9889","0.0001","90","","90","","90","","2053.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","1","","Preindl, Johannes; Chakrabarty, Shyamal; Waser, Jérôme","Dearomatization of electron poor six-membered N-heterocycles through [3 + 2] annulation with aminocyclopropanes","Chemical Science","2017","8","10","7112","7118","10.1039/C7SC03197A","","x-ray","1.54184","CuKα","","0.0243","0.0236","","","0.0639","0.0645","","","","","","1.059","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546881","8.0072","0.0002","21.2678","0.0006","7.3241","0.0002","90","","90","","90","","1247.26","0.06","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ag3 I3 Mo2 O12 -","- Ag3 I3 Mo2 O12 -","- Ag12 I12 Mo8 O48 -","4","1","","Meng, Chang-Yu; Zhang, Pei; Wang, Rong-Fang; Geng, Lei","Ag <sub>3</sub> I[(MoO <sub>3</sub> ) <sub>2</sub> (IO <sub>3</sub> ) <sub>2</sub> ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag <sup>+</sup> ) and anion (I <sup>−</sup> )","Dalton Transactions","2017","46","36","12320","12327","10.1039/C7DT02795H","","","0.71073","MoKα","","0.0186","0.018","","","0.0384","0.0387","","","","","","1.06","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546882","24.5034","0.0009","6.7673","0.0002","14.7803","0.0005","90","","90","","90","","2450.9","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B2 Cs Na4 O13 P3 -","- B2 Cs Na4 O13 P3 -","- B16 Cs8 Na32 O104 P24 -","8","2","","Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi","Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response","Dalton Transactions","2017","46","37","12605","12611","10.1039/C7DT02649H","","","0.71073","MoKα","","0.0346","0.0282","","","0.0609","0.0635","","","","","","1.098","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546883","24.0348","0.0009","6.7464","0.0002","14.9206","0.0006","90","","90","","90","","2419.35","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B2 Na4 O13 P3 Rb -","- B2 Na4 O13 P3 Rb -","- B16 Na32 O104 P24 Rb8 -","8","2","","Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi","Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response","Dalton Transactions","2017","46","37","12605","12611","10.1039/C7DT02649H","","","0.71073","MoKα","","0.0545","0.0432","","","0.1113","0.1194","","","","","","1.071","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547118","9.6628","0.0017","18.241","0.003","11.829","0.002","90","","90","","90","","2085","0.6","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H21 N2 O3 -","- C25 H21 N2 O3 -","- C100 H84 N8 O12 -","4","1","","Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J.","Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas.","Organic letters","2017","19","15","4110","4113","10.1021/acs.orglett.7b01898","","","0.71073","MoKα","","0.085","0.0647","","","0.1616","0.1762","","","","","","1.038","","","","has coordinates","200636","2020-10-21","18:00:00",""
"1547143","5.627","0.002","7.034","0.002","12.855","0.004","90","","90","","90","","508.8","0.3","","","223","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- F5 H6 N2 Sb -","- F5 N2 Sb -","- F20 N8 Sb4 -","4","1","","Barbes, H.; Mascherpa, G.; Fourcade, R.; Ducourant, B.","Correlations conductivite protonique-structures dans le difluorure et le pentafluoroantimonate III d hydrazinium: structure cristalline de N2H6SbF5","Journal of Solid State Chemistry","1985","60","","95","100","","","x-ray","0.71069","MoKα","","","0.047","","","","","","","","","","","","","","has coordinates","200821","2020-10-21","18:00:00",""
"1547180","13.3686","0.0005","10.4704","0.0004","8.7799","0.0003","90","","90","","90","","1228.96","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","1","","Simon J Coles; David B Davies; Michael B Hursthouse; Susanne L Huth; Adem Kilic; Mark E Light; Marianne Odlyha; John S Rutherford; Robert A Shaw; Aylin Uslu","Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]","Chemistry Central Journal","2007","1","","20","","10.1186/1752-153X-1-20","","","0.71073","MoKα","","0.0286","0.0253","","","0.0615","0.0631","","","","","","0.922","","","","has coordinates","200920","2020-10-21","18:00:00",""
"1547181","13.4804","0.0014","10.6442","0.0009","8.8479","0.0007","90","","90","","90","","1269.6","0.2","274","2","274","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H6 Cl4 N3 O2 P3 -","- C3 H6 Cl4 N3 O2 P3 -","- C12 H24 Cl16 N12 O8 P12 -","4","1","","Simon J Coles; David B Davies; Michael B Hursthouse; Susanne L Huth; Adem Kilic; Mark E Light; Marianne Odlyha; John S Rutherford; Robert A Shaw; Aylin Uslu","Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]","Chemistry Central Journal","2007","1","","20","","10.1186/1752-153X-1-20","","","0.71073","MoKα","","0.038","0.0334","","","0.0871","0.0905","","","","","","1.047","","","","has coordinates","200921","2020-10-21","18:00:00",""
"1547295","11.9025","0.0008","7.4111","0.0006","13.2657","0.0009","90","","90","","90","","1170.18","0.15","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Hao, Feiyue; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Direct Aziridination of Nitroalkenes Affording N-Alkyl-C-nitroaziridines and the Subsequent Lewis Acid Mediated Isomerization to β-Nitroenamines.","Organic letters","2017","19","19","5442","5445","10.1021/acs.orglett.7b02724","","","0.71075","MoKα","","0.1021","0.0567","","","0.1257","0.1591","","","","","","0.91","","","","has coordinates","202800","2020-10-21","18:00:00",""
"1547408","14.4393","0.0007","8.1764","0.0004","21.7395","0.0013","90","","90","","90","","2566.6","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0571","0.0399","","","0.0856","0.0907","","","","","","1.185","","","","has coordinates","201410","2020-10-21","18:00:00",""
"1547409","14.4687","0.0006","8.1829","0.0009","21.8084","0.0004","90","","90","","90","","2582","0.3","175","0.2","175","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0797","0.0499","","","0.0873","0.0959","","","","","","0.97","","","","has coordinates","201411","2020-10-21","18:00:00",""
"1547410","14.4829","0.0006","8.1938","0.0003","21.8441","0.0009","90","","90","","90","","2592.24","0.18","200","0.1","200","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C8 H8.72727 N2.90909 O1.45455 S0.727273 -","- C88 H96 N32 O16 S8 -","11","2.75","","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","","0.0697","0.0456","","","0.0789","0.09","","","","","","0.976","","","","has coordinates","201412","2020-10-21","18:00:00",""
"1547411","14.4899","0.0005","8.2086","0.0004","21.9106","0.0009","90","","90","","90","","2606.09","0.19","250","0.2","250","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C12.5714 H13.7143 N4.57143 O2.28571 S1.14286 -","- C88 H96 N32 O16 S8 -","7","1.75","","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","","0.0643","0.0421","","","0.0721","0.0817","","","","","","0.96","","","","has coordinates","201413","2020-10-21","18:00:00",""
"1547412","14.4902","0.0009","8.2249","0.0006","22.0106","0.0014","90","","90","","90","","2623.2","0.3","293","0.2","293","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0773","0.0487","","","0.0926","0.111","","","","","","0.95","","","","has coordinates","201414","2020-10-21","18:00:00",""
"1547413","14.4588","0.0001","8.18","0.0001","21.7664","0.0002","90","","90","","90","","2574.38","0.04","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0524","0.0433","","","0.1051","0.1141","","","","","","1.054","","","","has coordinates","201415","2020-10-21","18:00:00",""
"1547414","14.4597","0.0001","8.1802","0.0001","21.7812","0.0002","90","","90","","90","","2576.35","0.04","160","","160","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0533","0.044","","","0.107","0.1156","","","","","","1.068","","","","has coordinates","201416","2020-10-21","18:00:00",""
"1547415","14.4638","0.0001","8.1835","0.0001","21.7953","0.0002","90","","90","","90","","2579.79","0.04","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0539","0.0443","","","0.1097","0.1175","","","","","","1.071","","","","has coordinates","201417","2020-10-21","18:00:00",""
"1547416","14.4666","0.0001","8.1868","0.0001","21.8103","0.0002","90","","90","","90","","2583.11","0.04","180","","180","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0549","0.0444","","","0.1063","0.1145","","","","","","1.027","","","","has coordinates","201418","2020-10-21","18:00:00",""
"1547417","14.4701","0.0001","8.1889","0.0001","21.8216","0.0004","90","","90","","90","","2585.73","0.06","190","","190","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0626","0.0481","","","0.1118","0.1319","","","","","","1.076","","","","has coordinates","201419","2020-10-21","18:00:00",""
"1547418","14.4734","0.0001","8.1921","0.0001","21.8397","0.0003","90","","90","","90","","2589.48","0.05","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.057","0.0451","","","0.1075","0.1178","","","","","","1.032","","","","has coordinates","201420","2020-10-21","18:00:00",""
"1547419","14.4763","0.0002","8.1946","0.0001","21.8522","0.0004","90","","90","","90","","2592.27","0.07","210","","210","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0676","0.0505","","","0.1157","0.1389","","","","","","1.09","","","","has coordinates","201421","2020-10-21","18:00:00",""
"1547420","14.4795","0.0001","8.1974","0.0001","21.8693","0.0003","90","","90","","90","","2595.76","0.05","220","","220","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0595","0.0453","","","0.1081","0.1195","","","","","","1.022","","","","has coordinates","201422","2020-10-21","18:00:00",""
"1547421","14.4814","0.0001","8.1993","0.0001","21.8844","0.0003","90","","90","","90","","2598.5","0.05","230","","230","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","0.0463","","","0.1094","0.1215","","","","","","1.023","","","","has coordinates","201423","2020-10-21","18:00:00",""
"1547422","14.4852","0.0001","8.202","0.0001","21.9002","0.0003","90","","90","","90","","2601.91","0.05","240","","240","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0644","0.0473","","","0.1115","0.125","","","","","","1.035","","","","has coordinates","201424","2020-10-21","18:00:00",""
"1547423","14.4884","0.0001","8.2048","0.0001","21.9167","0.0003","90","","90","","90","","2605.34","0.05","250","","250","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.066","0.0477","","","0.1115","0.1247","","","","","","1.027","","","","has coordinates","201425","2020-10-21","18:00:00",""
"1547424","14.4914","0.0001","8.2069","0.0001","21.9332","0.0003","90","","90","","90","","2608.5","0.05","260","","260","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0674","0.0476","","","0.1103","0.1257","","","","","","1.015","","","","has coordinates","201426","2020-10-21","18:00:00",""
"1547425","14.495","0.0001","8.2094","0.0001","21.9489","0.0003","90","","90","","90","","2611.81","0.05","270","","270","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0702","0.0487","","","0.1123","0.1292","","","","","","1.031","","","","has coordinates","201427","2020-10-21","18:00:00",""
"1547426","14.4973","0.0002","8.2118","0.0001","21.9658","0.0003","90","","90","","90","","2615","0.06","280","","280","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0722","0.0493","","","0.1132","0.1301","","","","","","1.025","","","","has coordinates","201428","2020-10-21","18:00:00",""
"1547427","14.5008","0.0002","8.2141","0.0001","21.9821","0.0004","90","","90","","90","","2618.31","0.07","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0753","0.0501","","","0.1152","0.133","","","","","","1.032","","","","has coordinates","201429","2020-10-21","18:00:00",""
"1547428","14.504","0.0002","8.2162","0.0001","21.9984","0.0004","90","","90","","90","","2621.5","0.07","300","","300","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","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","","0.0774","0.0498","","","0.1382","0.1661","","","","","","0.933","","","","has coordinates","201430","2020-10-21","18:00:00",""
"1547506","21.688","0.002","9.136","0.0009","30.698","0.003","90","","90","","90","","6082.5","1","213","2","213.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H33 N O7 S -","- C34 H33 N O7 S -","- C272 H264 N8 O56 S8 -","8","2","","Chen, Junlong; Huang, You","Phosphine-Catalyzed Sequential [4 + 3] Domino Annulation/Allylic Alkylation Reaction of MBH Carbonates: Efficient Construction of Seven-Membered Heterocycles.","Organic letters","2017","19","20","5609","5612","10.1021/acs.orglett.7b02742","","","0.71073","MoKα","","0.0788","0.0749","","","0.1934","0.1995","","","","","","1.031","","","","has coordinates","202819","2020-10-21","18:00:00",""
"1547513","23.095","0.002","13.2861","0.0012","10.6916","0.001","90","","90","","90","","3280.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H44 F6 N4 O6 S2 -","- C26 H44 F6 N4 O6 S2 -","- C104 H176 F24 N16 O24 S8 -","4","1","","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","","x-ray","0.71073","MoKα","","0.0675","0.0471","","","0.0986","0.1073","","","","","","1.019","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547582","15.3885","0.0017","7.1222","0.0008","30.3","0.004","90","","90","","90","","3320.9","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H19 Br N2 O -","- C19 H19 Br N2 O -","- C152 H152 Br8 N16 O8 -","8","2","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","0.71073","MoKα","","0.0875","0.0721","","","0.1829","0.1948","","","","","","1.055","","","","has coordinates","201733","2020-10-21","18:00:00",""
"1547653","18.297","0.004","10.234","0.002","7.8231","0.0016","90","","90","","90","","1464.9","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br5 N2 -","- C4 H14 Bi Br5 N2 -","- C16 H56 Bi4 Br20 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0722","0.0492","","","0.0791","0.0851","","","","","","0.997","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547654","18.16","0.004","10.074","0.002","7.6542","0.0015","90","","90","","90","","1400.3","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C4 H14 Bi Br3.1 Cl1.9 N2 -","- C16 H56 Bi4 Br12.4 Cl7.6 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0867","0.0605","","","0.1265","0.1355","","","","","","1.06","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547655","18.109","0.004","9.998","0.002","7.5855","0.0015","90","","90","","90","","1373.4","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C4 H14 Bi Br1.8 Cl3.2 N2 -","- C16 H56 Bi4 Br7.2 Cl12.8 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0788","0.0603","","","0.1441","0.1531","","","","","","1.055","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547656","18.12","0.004","9.95","0.002","7.5357","0.0015","90","","90","","90","","1358.6","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C4 H14 Bi Br1.4 Cl3.6 N2 -","- C16 H56 Bi4 Br5.6 Cl14.4 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0627","0.0481","","","0.1135","0.1192","","","","","","1.095","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547657","18.209","0.004","9.975","0.002","7.5491","0.0015","90","","90","","90","","1371.2","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C4 H14 Bi Br1.1 Cl3.9 N2 -","- C16 H56 Bi4 Br4.4 Cl15.6 N8 -","4","1","","Wang, Ya; Shi, Chao; Han, Xiang-Bin","Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00)","The Journal of Physical Chemistry C","2017","121","41","23039","","10.1021/acs.jpcc.7b05126","","","0.71073","MoKα","","0.0571","0.0446","","","0.104","0.1094","","","","","","1.078","","","","has coordinates","202763","2020-10-21","18:00:00",""
"1547703","21.597","0.004","7.285","0.0015","16.615","0.003","90","","90","","90","","2614.1","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 Cl3 Ir N4 -","- C24 H25 Cl3 Ir N4 -","- C96 H100 Cl12 Ir4 N16 -","4","1","","Liang, Ran; Li, Shun; Wang, Rongzhou; Lu, Lei; Li, Feng","N-Methylation of Amines with Methanol Catalyzed by a Cp*Ir Complex Bearing a Functional 2,2'-Bibenzimidazole Ligand.","Organic letters","2017","19","21","5790","5793","10.1021/acs.orglett.7b02723","","","0.71073","MoKα","","0.0727","0.0497","","","0.0962","0.1065","","","","","","1.001","","","","has coordinates","202861","2020-10-21","18:00:00",""
"1547727","21.142","0.004","9.442","0.002","14.826","0.003","90","0.03","90","0.03","90","0.03","2959.6","1","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-methoxyphenyl)-2,3,6-trimethylpiperidin-1-ium chloride","","- C15 H24 Cl N O -","- C15 H24 Cl N O -","- C120 H192 Cl8 N8 O8 -","8","2","","Edwards, Peter M.; Schafer, Laurel L.","In Situ Generation of a Regio- and Diastereoselective Hydroaminoalkylation Catalyst Using Commercially Available Starting Materials.","Organic letters","2017","19","21","5720","5723","10.1021/acs.orglett.7b02149","","","0.71073","MoKα","","0.0498","0.0354","","","0.0676","0.073","","","","","","0.982","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547897","24.817","0.005","8.7512","0.0015","39.949","0.007","90","","90","","90","","8676","3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H40 Cl2 F12 Mg2 N2 O16 S4 -","- C20 H40 Cl2 F12 Mg2 N2 O16 S4 -","- C160 H320 Cl16 F96 Mg16 N16 O128 S32 -","8","2","","Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron","Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research","The Journal of Physical Chemistry C","2017","121","45","24909","","10.1021/acs.jpcc.7b05452","","","0.71073","MoKα","","0.0475","0.0363","","","0.0703","0.074","","","","","","1.015","","","","has coordinates,has disorder","203992","2020-10-21","18:00:00",""
"1547904","13.2917","0.0018","7.5342","0.001","19.659","0.003","90","","90","","90","","1968.7","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H15 O P -","- C26 H15 O P -","- C104 H60 O4 P4 -","4","1","","Rawe, Benjamin W.; Scott, Michael R.; Brown, Christopher M.; MacKenzie, Harvey K.; Gates, Derek P.","Poly(p-phenylenediethynylene phosphine)s and Related π-Conjugated Phosphine–Diyne Polymers: Synthesis, Characterization and Photophysical Properties","Macromolecules","2017","50","22","8916","","10.1021/acs.macromol.7b01933","","x-ray","0.71073","MoKα","","0.0423","0.0386","","","0.1025","0.1054","","","","","","1.0391","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1547924","13.5127","0.0008","9.4159","0.0006","25.6168","0.0017","90","","90","","90","","3259.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","68869-192","gene948","","- C21 H19 N -","- C21 H19 N -","- C168 H152 N8 -","8","2","","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","","","1.54178","CuKα","","0.052","0.0483","","","0.1322","0.1363","","","","","","1.057","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1548137","16.5","0.016","27.26","0.03","13.249","0.014","90","","90","","90","","5959","11","130","2","130","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Tp(Pr)MoO(OC6H4-4-Ph)(mu-S)Cu(Me3TACN)]","","","- C43 H64 B Cu Mo N11 O2 S -","- C43 H64 B Cu Mo N11 O2 S -","- C172 H256 B4 Cu4 Mo4 N44 O8 S4 -","4","1","","Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham","Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes","Chemical Science","2017","","","","","10.1039/C7SC04239F","","","0.71073","MoKα","","0.087","0.0395","","","0.0594","0.0642","","","","","","0.685","","","","has coordinates","203402","2020-10-21","18:00:00",""
"1548262","15.071","0.005","8.378","0.003","14.966","0.005","90","","90","","90","","1889.7","1.1","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 B2 N4 O2 -","- C21 H20 B2 N4 O2 -","- C84 H80 B8 N16 O8 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.2159","0.0847","","","0.146","0.1894","","","","","","1.013","","","","has coordinates,has disorder","203695","2020-10-21","18:00:00",""
"1548445","19.208","0.003","13.253","0.002","16.091","0.003","90","","90","","90","","4096.2","1.2","93.15","","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H64 B2 N2 O3 -","- C45 H64 B2 N2 O3 -","- C180 H256 B8 N8 O12 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0952","0.07","","","0.151","0.1669","","","","","","1.025","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548459","23.2043","0.001","30.9754","0.0012","14.803","0.0006","90","","90","","90","","10639.8","0.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C106 H66 B4 F40 O2 P2 -","- C106 H66 B4 F40 O2 P2 -","- C424 H264 B16 F160 O8 P8 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","1.54178","CuKα","","0.1371","0.1081","","","0.1951","0.2058","","","","","","1.161","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548616","15.7074","0.0008","32.8408","0.0016","13.412","0.0009","90","","90","","90","","6918.5","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 Ga O6 -","- C15 H21 Ga O6 -","- C240 H336 Ga16 O96 -","16","4","","Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.","In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells","Energy & Environmental Science","2018","11","2","286","","10.1039/C7EE03113K","","x-ray","0.71073","MoKα","","0.0799","0.0546","","","0.1302","0.1453","","","","","","1.072","","","","has coordinates","230081","2020-10-21","18:00:00",""
"1548670","32.387","0.003","9.8559","0.0015","5.0043","0.0008","90","","90","","90","","1597.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","HB4196","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate","IUCrData","2018","3","1","x171840","","10.1107/S2414314617018405","","","0.71073","MoKα","","0.0764","0.0545","","","0.1369","0.1493","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","205178","2020-10-21","18:00:00",""
"1548704","12.6724","0.0006","16.1107","0.0007","27.71","0.0014","90","","90","","90","","5657.3","0.5","123","","123","","","","","","","","see text","7","P n a 21","P 2c -2n","33","","","","- C44 H44 Ag3 F17.96 N16 O2 P3 -","- C44 H44 Ag3 F17.958 N16 O2 P2.993 -","- C176 H176 Ag12 F71.832 N64 O8 P11.972 -","4","1","","Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E","Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1857","1867","10.1039/c7dt04774f","","x-ray","0.71073","MoKα","","0.0829","0.0575","","","0.1035","0.1126","","","","","","1.085","","","","has coordinates,has disorder","229586","2020-10-21","18:00:00",""
"1548715","23.085","0.002","18.8929","0.0005","9.484","0.0004","90","","90","","90","","4136.4","0.4","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H60 Cl Fe N4 O7 -","- C44 H60 Cl Fe N4 O7 -","- C176 H240 Cl4 Fe4 N16 O28 -","4","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.1063","0.0873","","","0.2151","0.232","","","","","","1.045","","","","has coordinates,has disorder","205357","2020-10-21","18:00:00",""
"1548832","20.8533","0.0008","9.9698","0.0003","23.4151","0.0008","90","","90","","90","","4868.1","0.3","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole","","- C14 H8 N2 S Se -","- C14 H8 N2 S Se -","- C224 H128 N32 S16 Se16 -","16","4","WM4065","Schollmeyer, Dieter; Detert, Heiner","Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole","IUCrData","2018","3","1","x180070","","10.1107/S2414314618000706","","","0.71073","MoKα","","0.1285","0.08","","","0.1576","0.189","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","205884","2020-10-21","18:00:00",""
"1549148","32.54","0.04","9.129","0.01","9.286","0.012","90","","90","","90","","2758","6","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H34 B N S -","- C32 H34 B N S -","- C128 H136 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1957","0.0801","","","0.1818","0.2266","","","","","","1.004","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549358","11.0702","0.0005","26.0585","0.0013","7.7302","0.0003","90","","90","","90","","2229.95","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(4-methylbenzylammonium) tetrabromidozincate","","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","- C64 H96 Br16 N8 Zn4 -","4","1","WM4078","Aarthi, Ramkumar; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(4-methylbenzylammonium) tetrabromidozincate","IUCrData","2018","3","5","x180648","","10.1107/S241431461800648X","","","0.71073","MoKα","","0.0807","0.074","","","0.1526","0.1557","","","","","","1.356","","","","has coordinates,has Fobs","207603","2020-10-21","18:00:00",""
"1549544","25.387","0.002","27.537","0.003","21.8595","0.0019","90","","90","","90","","15282","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C59 H50 Cl2 N4 O4 S2 -","- C59 H50 Cl2 N4 O4 S2 -","- C708 H600 Cl24 N48 O48 S24 -","12","3","","Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong","Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells.","Chemical science","2018","9","27","5919","5928","10.1039/c8sc00731d","","","0.71073","MoKα","","0.1711","0.0873","","","0.1854","0.2351","","","","","","1.035","","","","has coordinates","228661","2020-10-21","18:00:00",""
"1549639","19.964","0.003","9.417","0.004","23.52","0.004","90","","90","","90","","4422","2","296.2","","296.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H50 Li2 N4 O27 P6 -","- C28 H50 Li2 N4 O27 P6 -","- C112 H200 Li8 N16 O108 P24 -","4","1","","RAOUDHA, Bel Haj Salah; LAMIA, Khedhiri; MOHAMED, Rzaigui","Crystal Structure of a Hybrid Cyclohexaphosphate: [o-C7H10NO]4Li2P6O18·5H2O","X-ray Structure Analysis Online","2010","26","","45","","10.2116/xraystruct.26.45","","","0.5608","AgKα","","0.0678","0.068","","0.068","","0.068","","","1.18","","","1.18","","","","has coordinates","208755","2020-10-21","18:00:00",""
"1549661","14.59","0.003","9.6772","0.0019","28.074","0.005","90","","90","","90","","3963.8","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H26 N2 O4 S -","- C20 H26 N2 O4 S -","- C160 H208 N16 O32 S8 -","8","2","","Mondieig, D.; Négrier, Ph.; Léger, J. M.; Massip, S.; Benali, B.; Jermoumi, C.; Lakhrissi, B.","Crystal Structure of 2-S-(1′-Deoxy-2′,3′:4′,5′-di-O-isopropylidene-D,L-xylit-1′-ylthio)-3-methylquinoxaline","X-ray Structure Analysis Online","2010","26","","1","","10.2116/xraystruct.26.1","","","1.5418","CuKα","","0.0565","0.051","","","0.1514","0.1654","","","","","","1.023","","","","has coordinates","208854","2020-10-21","18:00:00",""
"1549720","12.2836","0.0004","14.5343","0.0005","7.8596","0.0003","90","","90","","90","","1403.2","0.09","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","VM4037","Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef","2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate","IUCrData","2018","3","7","x181046","","10.1107/S2414314618010465","","","1.54178","CuKα","","0.0361","0.0346","","","0.0905","0.0929","","","","","","1.08","","","","has coordinates,has Fobs","209238","2020-10-21","18:00:00",""
"1549908","13.252","0.006","5.704","0.002","42.601","0.019","90","","90","","90","","3220","2","200","","200","","","","","","","","","3","P n a 21","P 2c -2n","33","","7aF-Me2","","- C22 H18 N2 -","- C22 H13 N2 -","- C176 H104 N16 -","8","2","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0697","","","","0.2052","","","","","","1.026","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549949","8.6825","0.0008","42.095","0.006","9.7523","0.0009","90","","90","","90","","3564.4","0.7","150.01","0.1","150.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","2-propyl-1H-benzimidazole","","","- C10 H12 N2 -","- C10 H12 N2 -","- C160 H192 N32 -","16","4","","Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose","Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole","IUCrJ","2018","5","6","","","10.1107/S2052252518011685","","x-ray","1.5418","CuKα","","0.0416","0.0405","","","0.0642","0.0645","","","","3.57","3.57","3.53","","","","has coordinates","210977","2020-10-21","18:00:00",""
"1550029","23.0581","0.0013","16.6608","0.0012","15.1185","0.001","90","","90","","90","","5808","0.7","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H22 N2 O -","- C14 H22 N2 O -","- C224 H352 N32 O16 -","16","4","","Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C.","A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure.","Soft matter","2018","14","43","8821","8827","10.1039/c8sm01682h","","x-ray","1.54184","CuKα","","0.2145","0.168","","","0.415","0.4677","","","","","","1.631","","","","has coordinates,has disorder","230975","2020-10-21","18:00:00",""
"1550140","27.0937","0.0013","11.3331","0.0006","6.7354","0.0003","90","","90","","90","","2068.14","0.17","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H21 F2 N O2 Pt -","- C25 H21 F2 N O2 Pt -","- C100 H84 F8 N4 O8 Pt4 -","4","1","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0686","0.0393","","","0.0552","0.0604","","","","","","1.011","","","","has coordinates","230970","2020-10-21","18:00:00",""
"1550141","26.595","0.006","11.416","0.003","6.7344","0.0015","90","","90","","90","","2044.6","0.8","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H23 N O2 Pt -","- C25 H23 N O2 Pt -","- C100 H92 N4 O8 Pt4 -","4","1","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0502","0.0324","","","0.0572","0.0619","","","","","","1.017","","","","has coordinates","230970","2020-10-21","18:00:00",""
"1550219","14.0648","0.0004","22.4851","0.0005","15.6445","0.0003","90","","90","","90","","4947.5","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H60 Cu2 O12 S4 -","- C44 H60 Cu2 O12 S4 -","- C176 H240 Cu8 O48 S16 -","4","1","","Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W.","M24+ paddlewheel clusters as junction points in single-chain nanoparticles","Polymer Chemistry","2019","10","1","86","","10.1039/C8PY01486H","","x-ray","0.71073","MoKα","","0.0712","0.0509","","","0.1164","0.1256","","","","","","1.021","","","","has coordinates","225336","2020-10-21","18:00:00",""
"1550309","18.4291","0.0007","13.1243","0.0004","14.5076","0.0006","90","","90","","90","","3508.9","0.2","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H47 Cl N2 O -","- C39 H47 Cl N2 O -","- C156 H188 Cl4 N8 O4 -","4","1","","Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan","Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions","Chemical Science","2019","","","","","10.1039/C8SC03581D","","","0.71073","MoKα","","0.075","0.0463","","","0.1061","0.1208","","","","","","1.013","","","","has coordinates","212266","2020-10-21","18:00:00",""
"1550345","15.8691","0.0003","12.5093","0.0003","15.8466","0.0004","90","","90","","90","","3145.73","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H23 B2 Cl9 N4 O2 -","- C23 H23 B2 Cl9 N4 O2 -","- C92 H92 B8 Cl36 N16 O8 -","4","1","","Wang, Baolin; Kinjo, Rei","Boron-based Stepwise Dioxygen Activation with 1,4,2,5-Diazadiborinine","Chemical Science","2019","","","","","10.1039/C8SC04624G","","","0.71073","MoKα","","0.1017","0.0556","","","0.0842","0.1032","","","","","","1.037","","","","has coordinates","212537","2020-10-21","18:00:00",""
"1550416","20.4627","0.0005","15.7895","0.0004","25.0638","0.0006","90","","90","","90","","8098","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C79 H106 N18 O14 P -","- C79 H103 N18 O14 P -","- C316 H412 N72 O56 P4 -","4","1","","Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao","Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence","Chemical Science","2019","","","","","10.1039/C8SC04338H","","","0.71073","MoKα","","0.1244","0.0792","","","0.1964","0.2197","","","","","","1.144","","","","has coordinates","212913","2020-10-21","18:00:00",""
"1550425","34.5017","0.0004","10.56728","0.00012","14.7887","0.0002","90","","90","","90","","5391.8","0.11","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C62 H46 Cl8 N8 O5 -","- C62 H46 Cl8 N8 O5 -","- C248 H184 Cl32 N32 O20 -","4","1","","Gozálvez, Cristian; Zafra, José L.; Saeki, Akinori; Melle-Franco, Manuel; Casado Cordón, Juan; Mateo-Alonso, Aurelio","Charge Transport Modulation in Pseudorotaxane 1D Stacks of Acene and Azaacene Derivatives","Chemical Science","2019","","","","","10.1039/C8SC04845B","","x-ray","1.54184","CuKα","","0.0416","0.0389","","","0.0939","0.0963","","","","","","1.033","","","","has coordinates","212915","2020-10-21","18:00:00",""
"1550467","14.5269","0.0018","7.3499","0.0009","12.7491","0.0018","90","","90","","90","","1361.2","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl3 Ga N4 -","- C8 H20 Cl3 Ga N4 -","- C32 H80 Cl12 Ga4 N16 -","4","1","","Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui","Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction","Chemical Science","2019","","","","","10.1039/C8SC05247F","","","0.71073","MoKα","","0.0196","0.0194","","","0.047","0.0472","","","","","","1.033","","","","has coordinates","213029","2020-10-21","18:00:00",""
"1550469","8.9227","0.0015","18.531","0.003","5.5268","0.0009","90","","90","","90","","913.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C2 H6 F3 N O6 S2 -","- C2 H6 F3 N O6 S2 -","- C8 H24 F12 N4 O24 S8 -","4","1","","D'Amato, Erica M.; Börgel, Jonas; Ritter, Tobias","Aromatic C‒H amination in hexafluoroisopropanol","Chemical Science","2019","","","","","10.1039/C8SC04966A","","","0.71073","MoKα","","0.0232","0.0228","","","0.0557","0.056","","","","","","1.08","","","","has coordinates","213030","2020-10-21","18:00:00",""
"1550512","9.7427","0.0014","13.5639","0.0019","21.658","0.003","90","","90","","90","","2862.1","0.7","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C41 H28 O2 -","- C41 H28 O2 -","- C164 H112 O8 -","4","1","","Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiao-Chun; Jiang, Gaoxi","Brønsted acid-catalyzed aromatic annulation of alkoxyallenes with naphthols: a reaction sequence to larger π-conjugated naphthopyrans with aggregation-induced emission characters","Chemical Science","2019","","","","","10.1039/C8SC03837F","","","0.71073","MoKα","","0.0533","0.0419","","","0.102","0.1106","","","","","","0.999","","","","has coordinates","213265","2020-10-21","18:00:00",""
"1550518","14.0201","0.0007","17.4488","0.0008","7.8775","0.0003","90","","90","","90","","1927.1","0.15","296","","296","2","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","","- C27 H17 Cl O -","- C27 H17 Cl O -","- C108 H68 Cl4 O4 -","4","1","","Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","IUCrData","2019","4","1","x181846","","10.1107/S2414314618018461","","","0.71073","MoKα","","0.0589","0.046","","0.0526","0.0518","0.0526","","","","","","0.6074","","","","has coordinates,has Fobs","213290","2020-10-21","18:00:00",""
"1550567","7.7143","0.0005","28.907","0.002","7.501","0.0005","90","","90","","90","","1672.7","0.19","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","LH4043","Lee, Ji Hye; Koh, Dongsoo","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2019","4","2","x190179","","10.1107/S2414314619001792","","","0.71073","MoKα","","0.0966","0.0446","","","0.0772","0.1052","","","","","","0.946","","","","has coordinates,has Fobs","213514","2020-10-21","18:00:00",""
"1550645","12.2574","0.001","7.6912","0.0008","22.821","0.003","90","","90","","90","","2151.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C22 H21 F N8 O -","- C22 H21 F N8 O -","- C88 H84 F4 N32 O4 -","4","1","ZQ4035","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","IUCrData","2019","4","2","x190261","","10.1107/S241431461900261X","","","0.71073","MoKα","","0.1054","0.0615","","","0.1527","0.1782","","","","","","1.078","","","","has coordinates,has Fobs","213812","2020-10-21","18:00:00",""
"1550661","18.9449","0.0008","9.4629","0.0004","14.4914","0.0006","90","","90","","90","","2597.93","0.19","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H26 Br0.8 Cl1.2 N2 O2 -","- C32 H26 Br0.806 Cl1.194 N2 O2 -","- C128 H104 Br3.224 Cl4.776 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","5","989","992","10.1039/c9pp00004f","","","0.71073","MoKα","","0.038","0.0303","","","0.0547","0.0566","","","","","","1.021","","","","has coordinates,has disorder","225319","2020-10-21","18:00:00",""
"1550749","12.569","0.002","22.176","0.003","3.6728","0.0006","90","","90","","90","","1023.7","0.3","295","2","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H9 N7 O -","- C9 H9 N7 O -","- C36 H36 N28 O4 -","4","1","","Wang, Chunling; Song, Chuanqqi; Shen, Wen-Hui; Qi, Yuan-Yuan; Xue, Ying; Shi, Yao-Cheng; Yu, Huaguang; Feng, Ligang","A two-dimensional Ni(II) coordination polymer based on 3,5-bis(1’,2’,4’-triazol-1’-yl) pyridine ligand for water electro-oxidation","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00191C","","","0.71073","MoKα","","0.0478","0.0366","","","0.08","0.0865","","","","","","1.061","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550913","22.596","0.003","3.8694","0.0005","22.166","0.003","90","","90","","90","","1938","0.4","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C104 H72 N8 O12 -","4","1","","Shiga, Keigo; Gridnev, Ilya D.; Terada, Masahiro; Nakamura, Itaru","Au-Catalyzed Skeletal Rearrangement of O-Propargylic Oximes via N-O Bond Cleavage with the Aid of a Brønsted Base Cocatalyst","Chemical Science","2019","","","","","10.1039/C9SC00501C","","","0.71075","MoKα","","0.0411","0.0366","","","0.083","0.0852","","","","","","1.072","","","","has coordinates","214693","2020-10-21","18:00:00",""
"1550945","24.2914","0.0017","14.3317","0.001","7.5014","0.0005","90","","90","","90","","2611.5","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","","","- C34 H24 Br2 Fe -","- C34 H24 Br2 Fe -","- C136 H96 Br8 Fe4 -","4","1","HB4292","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","IUCrData","2019","4","4","x190487","","10.1107/S2414314619004875","","","0.71073","MoKα","","0.0637","0.0461","","","0.0954","0.1033","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","214796","2020-10-21","18:00:00",""
"1551260","13.5554","0.0008","12.9227","0.0006","10.2747","0.0005","90","","90","","90","","1799.84","0.16","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-(bis(μ2-4-hydroxy-1,6-dimethyl-3-pyridinecarboxylato)-copper(II) trihydrate","","- C16 H22 Cu N2 O9 -","- C16 H22 Cu N2 O9 -","- C64 H88 Cu4 N8 O36 -","4","1","","May, Nóra V.; Gál, G. Tamás; Szentendrei, Zsolt; Korecz, László; May, Zoltán; Ferlin, Maria Grazia; Dean, Annalisa; Bombicz, Petra; Di Marco, Valerio B.","Relationship between solid state structure and solution stability of copper(ii)‒hydroxypyridinecarboxylate complexes","New Journal of Chemistry","2019","43","27","10699","","10.1039/C9NJ01469A","","","0.71073","MoKα","","0.0298","0.027","","","0.0559","0.0578","","","","","","1.093","","","","has coordinates","224716","2020-10-21","18:00:00",""
"1551537","12.595","0.004","6.2362","0.0018","11.529","0.003","90","","90","","90","","905.5","0.5","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Crystal Structure of 2-(4-Methylimidazolin-2-yl)phenol: an Another Polymorph","X-ray Structure Analysis Online","2019","35","0","9","","10.2116/xraystruct.35.9","","","0.71073","MoKα","","0.0692","0.046","","","0.093","0.0997","","","","","","1.026","","","","has coordinates,has disorder","216147","2020-10-21","18:00:00",""
"1551581","16.6818","0.0012","11.5428","0.0008","9.2234","0.0006","90","","90","","90","","1776","0.2","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H22 B N O -","- C21 H22 B N O -","- C84 H88 B4 N4 O4 -","4","1","","SAKIYAMA, Hiroshi; ICHI, Misaki; MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Crystal Structure of a Tetracoordinate Organoboron Coordination Compound, Dimethylformamide-triphenylborane Complex","X-ray Structure Analysis Online","2017","33","0","29","","10.2116/xraystruct.33.29","","","0.71073","MoKα","","0.0526","0.0429","","","0.0977","0.102","","","","","","1.022","","","","has coordinates","216191","2020-10-21","18:00:00",""
"1551764","22.9565","0.0014","6.3725","0.0004","24.6677","0.0017","90","","90","","90","","3608.6","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C168 H192 N16 O16 -","8","2","","RAJNIKANT,; KOHLI, Sabeta; SARMAL, Lovely; MEHDI, Sayed Hasan; PARVEEN, Mehtab","Crystal Structure of 4,4-Dimethyl-1-[2-phenyl-1-(phenylamino)ethyl]-piperidin-2,6-dione","X-ray Structure Analysis Online","2010","26","","17","","10.2116/xraystruct.26.17","","","0.71073","MoKα","","0.1908","0.0827","","","0.1899","0.2349","","","","","","0.92","","","","has coordinates","216376","2020-10-21","18:00:00",""
"1551817","7.5424","0.0004","11.9347","0.0006","15.2506","0.0007","90","","90","","90","","1372.8","0.12","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","POOR HERAVI, Mohammad R.; LOGHMANI-KHOUZANI, Hossein; SADEGHI, Majid M. M.; ZENDEHDEL, Mahmoud; JACKSON, Richard F. W.; ADAMS, H.","Crystal Structure of 2-(4-Methoxybenzylthio)-1-phenylethanone","X-ray Structure Analysis Online","2009","25","","43","","10.2116/xraystruct.25.43","","","0.71073","MoKα","","0.0313","0.0274","","","0.0673","0.0692","","","","","","1.035","","","","has coordinates","216430","2020-10-21","18:00:00",""
"1551862","29.442","0.004","7.3421","0.0009","7.0867","0.0007","90","","90","","90","","1531.9","0.3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","HCTHPFORMII","","","- C12 H13 Cl N4 O5 S2 -","- C12 H13 Cl N4 O5 S2 -","- C48 H52 Cl4 N16 O20 S8 -","4","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","","0.1302","0.0805","","","0.1161","0.1278","","","","","","1.09","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551955","13.313","0.002","11.317","0.002","22.471","0.004","90","","90","","90","","3385.6","1","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35.4 H34.6 B O4 -","- C35.4 H34.6 B O4 -","- C141.6 H138.4 B4 O16 -","4","1","","Ando, Naoki; Soutome, Hiroki; Yamaguchi, Shigehiro","Near-Infrared Fluorescein Dyes Containing a Tricoordinate Boron Atom","Chemical Science","2019","","","","","10.1039/C9SC02314C","","","0.71075","MoKa","","0.0801","0.0616","","","0.1602","0.1706","","","","","","1.026","","","","has coordinates","216717","2020-10-21","18:00:00",""
"1551963","16.04632","0.00014","12.55844","0.00013","20.9096","0.0002","90","","90","","90","","4213.63","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","1","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1059","0.1052","","","0.2533","0.2537","","","","","","1.302","","","","has coordinates,has disorder","216727","2020-10-21","18:00:00",""
"1552209","31.3225","0.0013","12.3379","0.0005","14.6291","0.0006","90","","90","","90","","5653.5","0.4","123","","123","","","","","","","","Patrick Zwick","5","P n a 21","P 2c -2n","33","","5,15-bis(3,5-di-tert-butylphenyl)-10,20-bis((trimethylsilyl)ethynyl)-porphyrin","","- C62 H78 N4 O Si2 -","- C62 H78 N4 O Si2 -","- C248 H312 N16 O4 Si8 -","4","1","","El Abbassi, Maria; Zwick, Patrick; Rates, Alfredo; Stefani, Davide; Prescimone, Alessandro; Mayor, Marcel; van der Zant, Herre S. J.; Dulić, Diana","Unravelling the conductance path through single-porphyrin junctions","Chemical Science","2019","","","","","10.1039/C9SC02497B","","","1.5418","CuKα","","0.073","0.0568","","0.146","0.1336","0.146","","","","","","0.9893","","","","has coordinates","217514","2020-10-21","18:00:00",""
"1552262","20.1853","0.0007","12.0295","0.0006","28.4889","0.0008","90","","90","","90","","6917.6","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H25 Cd4 N9 O25 -","- C54 H25 Cd4 N9 O25 -","- C216 H100 Cd16 N36 O100 -","4","1","","Cui, Ruixue; Wan, Yongyan; Ji, Guanfeng; Liu, Zhiliang","Highly Selective and Sensitive Fluorescent Sensor Based on Tb3+ Functionalized MOFs to Determinate Arginine in Urine: A Potential Application for Diagnosis of Cystinuria","The Analyst","2019","","","","","10.1039/C9AN01204D","","","1.54184","CuKα","","0.0806","0.0629","","","0.1473","0.1621","","","","","","0.976","","","","has coordinates","217701","2020-10-21","18:00:00",""
"1552323","10.9002","0.0003","20.0267","0.0004","7.6356","0.0001","90","","90","","90","","1666.81","0.06","293.8","0.17","293.8","0.17","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0579","0.0505","","","0.1504","0.1605","","","","","","1.027","","","","has coordinates,has disorder","218236","2020-10-21","18:00:00",""
"1552328","12.476","0.0002","21.4728","0.0005","7.00394","0.00016","90","","90","","90","","1876.32","0.07","298.15","","298.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H16 Cl2 N2 O3 Pt S -","- C16 H14 Cl2 N2 O3 Pt S -","- C64 H56 Cl8 N8 O12 Pt4 S4 -","4","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","x-ray","0.71073","MoKα","","0.0328","0.0275","","","0.0627","0.0649","","","","","","1.057","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552347","19.7515","0.0009","13.2485","0.0006","22.2689","0.001","90","","90","","90","","5827.3","0.5","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","BS-C-116","","","- C47 H94 Cl2 F3 N4 O3 P4 S W2 -","- C47 H94 Cl2 F3 N4 O3 P4 S W2 -","- C188 H376 Cl8 F12 N16 O12 P16 S4 W8 -","4","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","","0.0683","0.0513","","","0.0968","0.1029","","","","","","1.081","","","","has coordinates,has disorder","218836","2020-10-21","18:00:00",""
"1552356","14.822","0.0009","5.2416","0.0003","20.8364","0.0013","90","","90","","90","","1618.8","0.17","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","HB4318","Sung, Jiha","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","IUCrData","2019","4","9","x191281","","10.1107/S2414314619012811","","","0.71073","MoKα","","0.0634","0.0366","","","0.0696","0.0883","","","","","","1.035","","","","has coordinates,has Fobs","218919","2020-10-21","18:00:00",""
"1552472","26.5691","0.0004","10.80809","0.00017","5.9932","0.0001","90","","90","","90","","1721.01","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N P3 -","- C19 H18 N P3 -","- C76 H72 N4 P12 -","4","1","","Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.","Controlled scrambling reactions to polyphosphanes via bond metathesis reactions","Chemical Science","2019","","","","","10.1039/C9SC04501E","","x-ray","1.54184","CuKα","","0.0479","0.0479","","","0.1291","0.1291","","","","","","1.116","","","","has coordinates","219502","2020-10-21","18:00:00",""
"1552754","8.064","0.003","11.97","0.004","7.036","0.003","90","","90","","90","","679.2","0.4","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Al B3 Cs F O6 -","- Al B3 Cs F O6 -","- Al4 B12 Cs4 F4 O24 -","4","1","","Liu, Hongkun; Wang, Ying; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability","Chemical Science","2020","11","3","694","698","10.1039/C9SC04862F","","","0.71073","MoKα","","0.0502","0.0283","","","0.0567","0.0643","","","","","","1.022","","","","has coordinates","257428","2020-10-21","18:00:00",""
"1552892","15.855","0.005","13.112","0.004","4.9675","0.0014","90","","90","","90","","1032.7","0.5","123","","123","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C10 H7 B F2 N2 O S -","- C10 H7 B F2 N2 O S -","- C40 H28 B4 F8 N8 O4 S4 -","4","1","","Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki","Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00410F","","","0.71075","MoKα","","0.0449","0.039","","","0.0724","0.0758","","","","","","1.115","","","","has coordinates,has disorder","227756","2020-10-21","18:00:00",""
"1553081","18.7063","0.0012","11.4184","0.0007","13.9803","0.001","90","","90","","90","","2986.1","0.3","100.02","","100.02","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H44 Li N O3 Si -","- C33 H44 Li N O3 Si -","- C132 H176 Li4 N4 O12 Si4 -","4","1","","Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R.","A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides","Chem. Sci.","2014","5","12","4831","","10.1039/C4SC01257G","","","0.71073","MoKα","","0.0331","0.0311","","","0.082","0.0837","","","","","","1.061","","","","has coordinates,has disorder","233275","2020-10-21","18:00:00",""
"1553142","7.1573","0.0004","21.4898","0.0009","9.4975","0.0004","90","","90","","90","","1460.8","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Z)-1j","","- C14 H15 Br N2 O3 -","- C14 H15 Br N2 O3 -","- C56 H60 Br4 N8 O12 -","4","1","","Hu, Ying; Zhou, Zijun; Gong, Lei; Meggers, Eric","Asymmetric aza-Henry reaction to provide oxindoles with quaternary carbon stereocenter catalyzed by a metal-templated chiral Brønsted base","Organic Chemistry Frontiers","2015","2","8","968","","10.1039/C5QO00132C","","","0.71073","MoKα","","0.0376","0.0344","","","0.0787","0.0811","","","","","","0.999","","","","has coordinates","233633","2020-10-21","18:00:00",""
"1553150","13.093","0.003","25.621","0.005","27.14","0.005","90","","90","","90","","9104","3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H74 I2 N36 O16 -","- C72 H74 I2 N36 O16 -","- C288 H296 I8 N144 O64 -","4","1","","Zhou, Tian-You; Qi, Qiao-Yan; Zhang, Ying; Xu, Xiao-Na; Zhao, Xin","A thermally stable pH-responsive “supramolecular buckle” based on the encapsulation of 4-(4-aminophenyl)-N-methylpyridinium by cucurbit[8]uril","Organic Chemistry Frontiers","2015","2","9","1030","","10.1039/C5QO00168D","","","1.54178","CuKα","","0.0868","0.079","","","0.2324","0.2433","","","","","","1.062","","","","has coordinates","233644","2020-10-21","18:00:00",""
"1553454","16.8326","0.0017","12.2762","0.0018","20.4575","0.0012","90","","90","","90","","4227.3","0.8","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H49 Cl2 N3 O3 Ru S -","- C44 H49 Cl2 N3 O3 Ru S -","- C176 H196 Cl8 N12 O12 Ru4 S4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0556","0.0353","","","0.0837","0.0953","","","","","","1.084","","","","has coordinates,has disorder","235018","2020-10-21","18:00:00",""
"1553599","16.8864","0.0004","7.4906","0.0002","24.7447","0.0007","90","","90","","90","","3129.94","0.14","200","2","200","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C46 H32 -","- C46 H32 -","- C184 H128 -","4","1","","Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung","The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices","Organic Chemistry Frontiers","2017","4","5","675","","10.1039/C6QO00673F","","","0.71073","MoKα","","0.0692","0.0504","","","0.1175","0.1276","","","","","","1.019","","","","has coordinates","235187","2020-10-21","18:00:00",""
"1553614","9.077","0.004","10.4","0.004","11.75","0.005","90","","90","","90","","1109.2","0.8","173.15","","173.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming","A copper-catalyzed arylation/nucleophilic addition/fragmentation/C‒S bond formation cascade: synthesis of bis(arylthio)imines","Organic Chemistry Frontiers","2017","4","4","510","","10.1039/C6QO00739B","","","0.71073","MoKα","","0.0383","0.0374","","","0.1194","0.1208","","","","","","1.013","","","","has coordinates","235209","2020-10-21","18:00:00",""
"1553737","21.489","0.004","10.179","0.002","22.215","0.004","90","","90","","90","","4859.2","1.6","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C76 H39 N O9 -","- C76 H39 N O9 -","- C304 H156 N4 O36 -","4","1","","Xu, Dan; Li, Yanbang; Lou, Ning; Gan, Liangbing","Synthesis of homoazafullerene [C59N(CH2)]R and azahomoazafullerene [C59N(NH)]R","Organic Chemistry Frontiers","2017","4","5","750","","10.1039/C7QO00098G","","","0.71073","MoKα","","0.0804","0.0656","","","0.1822","0.1998","","","","","","1.054","","","","has coordinates,has disorder","235956","2020-10-21","18:00:00",""
"1553782","12.326","0.004","11.032","0.004","13.445","0.005","90","","90","","90","","1828.3","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H18 F2 O4 -","- C21 H18 F2 O4 -","- C84 H72 F8 O16 -","4","1","","Li, Yuewen; Lu, Yiye; Mao, Runyu; Li, Zhiming; Wu, Jie","A photoinduced reaction of perfluoroalkyl halides with 1,3-diarylprop-2-yn-1-ones catalyzed by DABSO","Organic Chemistry Frontiers","2017","4","9","1745","","10.1039/C7QO00279C","","","0.71073","MoKα","","0.0343","0.0325","","","0.0913","0.0937","","","","","","1.076","","","","has coordinates","236025","2020-10-21","18:00:00",""
"1553925","24.106","0.003","8.4201","0.001","20.584","0.002","90","","90","","90","","4178","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 H12 Cl Cu N4 O4 -","- C96 H144 Cl12 Cu12 N48 O48 -","12","3","","Cao, Bo; Wei, Yin; Shi, Min","Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons","Organic Chemistry Frontiers","2018","5","3","423","","10.1039/C7QO00882A","","","0.71073","MoKα","","0.1417","0.0743","","","0.1769","0.2014","","","","","","0.846","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1553961","24.447","0.006","12.95","0.003","7.9","0.0019","90","","90","","90","","2501.1","1","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H28 Cl F6 N4 P Ru -","- C22 H28 Cl F6 N4 P Ru -","- C88 H112 Cl4 F24 N16 P4 Ru4 -","4","1","","Roy, Bivas Chandra; Debnath, Subhankar; Chakrabarti, Kaushik; Paul, Bhaskar; Maji, Milan; Kundu, Sabuj","ortho-Amino group functionalized 2,2′-bipyridine based Ru(ii) complex catalysed alkylation of secondary alcohols, nitriles and amines using alcohols","Organic Chemistry Frontiers","2018","5","6","1008","","10.1039/C7QO01061C","","","0.71073","MoKα","","0.0411","0.0357","","","0.082","0.0865","","","","","","1.041","","","","has coordinates","236206","2020-10-21","18:00:00",""
"1554005","13.7193","0.0003","16.2571","0.0004","11.2574","0.0004","90","","90","","90","","2510.81","0.12","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan","Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.","The journal of physical chemistry. A","2016","120","28","5474","5480","10.1021/acs.jpca.6b02127","","","0.71073","MoKα","","0.0411","0.0389","","","0.1109","0.1127","","","","","","0.999","","","","has coordinates","236415","2020-10-21","18:00:00",""
"1554006","12.1659","0.0005","21.9295","0.0012","7.1708","0.0003","90","","90","","90","","1913.11","0.15","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan","Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.","The journal of physical chemistry. A","2016","120","28","5474","5480","10.1021/acs.jpca.6b02127","","","0.71073","MoKα","","0.059","0.0442","","","0.0837","0.0873","","","","","","1.08","","","","has coordinates","236416","2020-10-21","18:00:00",""
"1554088","31.455","0.005","5.6198","0.0008","23.722","0.003","90","","90","","90","","4193.4","1","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N3 S2 -","- C16 H11 N3 S2 -","- C192 H132 N36 S24 -","12","3","","Price, Jacquelyn T.; Li, Michelle S. M.; Brazeau, Allison L.; Tao, Danlei; Xiang, Guiming; Chen, Yanhua; McDonald, Robert; Jones, Nathan D.; Ding, Zhifeng","Structural Insight into Electrogenerated Chemiluminescence of Para-Substituted Aryl‒Triazole‒Thienyl Compounds","The Journal of Physical Chemistry C","2016","120","38","21778","","10.1021/acs.jpcc.6b06904","","","0.71073","MoKα","","0.0505","0.0403","","","0.0877","0.0929","","","","","","1.028","","","","has coordinates,has disorder","236551","2020-10-21","18:00:00",""
"1554383","21.9804","0.0013","19.3508","0.0011","11.283","0.0007","90","","90","","90","","4799.1","0.5","140","2","140","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H33 Mg N2 -","- C25 H33 Mg N2 -","- C200 H264 Mg8 N16 -","8","2","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.1069","0.0662","","","0.0993","0.1125","","","","","","1.157","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554419","15.853","0.003","12.375","0.002","7.3639","0.0012","90","","90","","90","","1444.7","0.4","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","","Muthuramalingam, Somasundaram; Garg, Jai Anand; Karthick, R.; Fox, Thomas; Blacque, Olivier; Venkatesan, Koushik; Ramanathan, Saiganesh; Kabilan, Senthamaraikannan; Balasubramanian, K. K.","Nickel catalyzed synthesis of 4,4′-bichromenes/4,4′-bithiochromenes and their Atropisomerism","Organic Chemistry Frontiers","2019","6","1","134","","10.1039/C8QO00820E","","","0.71073","MoKα","","0.0757","0.0456","","","0.0892","0.1032","","","","","","1.011","","","","has coordinates","237221","2020-10-21","18:00:00",""
"1554445","16.6717","0.0015","10.051","0.002","14.516","0.006","90","","90","","90","","2432.4","1.1","172.99","0.1","172.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H29 Br Co P S -","- C28 H29 Br Co P S -","- C112 H116 Br4 Co4 P4 S4 -","4","1","","Liu, Xiangyu; Wu, Chengjuan; Zhang, Jing; Shi, Yihan; Zhang, Shengnan; Geng, Yan; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed radical cyclization of isocyanides forming phenanthridine derivatives","Organic Chemistry Frontiers","2018","5","20","2997","","10.1039/C8QO00887F","","x-ray","0.71073","MoKα","","0.0588","0.048","","","0.0977","0.1016","","","","","","1.044","","","","has coordinates","237239","2020-10-21","18:00:00",""
"1554480","27.2048","0.0018","18.3507","0.0012","12.2694","0.0008","90","","90","","90","","6125.2","0.7","90","","90","","","","","","","","","6","P n a 21","P 2c -2n","33","","2-(5-hydroxy-2,3-dimethyl-1-phenyl-1H-pyrazol-2-ium-4-yl)- 1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C15 H14 F6 N2 O5 S2 -","- C15 H14 F6 N2 O5 S2 -","- C180 H168 F72 N24 O60 S24 -","12","3","","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","","0.0291","0.0264","","","0.0653","0.0671","","","","","","1.008","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554525","15.1627","0.0005","6.4915","0.0004","29.4057","0.0009","90","","90","","90","","2894.4","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H38 N6 O9 S2 -","- C26 H38 N6 O9 S2 -","- C104 H152 N24 O36 S8 -","4","1","","Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel","Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water","Organic Chemistry Frontiers","2019","6","1","75","","10.1039/C8QO01152D","","","1.54184","CuKα","","0.0311","0.0287","","","0.0741","0.0755","","","","","","0.973","","","","has coordinates","237310","2020-10-21","18:00:00",""
"1554530","11.4331","0.0011","5.7212","0.0006","11.2434","0.0011","90","","90","","90","","735.44","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H3 F N6 O4 -","- C3 H3 F N6 O4 -","- C12 H12 F4 N24 O16 -","4","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","","0.033","0.0289","","","0.0628","0.0648","","","","","","1.045","","","","has coordinates","237313","2020-10-21","18:00:00",""
"1554562","25.795","0.004","9.144","0.0015","21.256","0.004","90","","90","","90","","5013.6","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25.5 H28 Cl N4 O2.5 Pd -","- C25.5 H25 Cl N4 O2.5 Pd -","- C204 H200 Cl8 N32 O20 Pd8 -","8","2","","Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Practical synthesis of polysubstituted unsymmetric 1,10-phenanthrolines by palladium catalyzed intramolecular oxidative cross coupling of C(sp2)–H and C(sp3)–H bonds of carboxamides","Organic Chemistry Frontiers","2019","6","4","544","","10.1039/C8QO01290C","","","0.71073","MoKα","","0.0827","0.072","","","0.2088","0.2181","","","","","","1.088","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1554624","20.2817","0.0011","17.2944","0.0009","12.4241","0.0007","90","","90","","90","","4357.9","0.4","243","2","243","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H58 B Co Fe S3 -","- C48 H58 B Co Fe S3 -","- C192 H232 B4 Co4 Fe4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0419","0.0331","","","0.0817","0.0862","","","","","","1.015","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554625","20.576","0.002","16.9755","0.0019","12.0227","0.0014","90","","90","","90","","4199.4","0.8","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H56 B Co Fe S3 -","- C47 H56 B Co Fe S3 -","- C188 H224 B4 Co4 Fe4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0589","0.0487","","","0.1108","0.1155","","","","","","1.099","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554719","19.9633","0.0007","12.2859","0.0004","13.3676","0.0005","90","","90","","90","","3278.6","0.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H44 F4 N2 S2 Si2 -","- C30 H44 F4 N2 S2 Si2 -","- C120 H176 F16 N8 S8 Si8 -","4","1","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0235","0.0222","","","0.0557","0.0563","","","","","","1.068","","","","has coordinates","238072","2020-10-21","18:00:00",""
"1554864","8.6933","0.0005","19.9383","0.0012","7.6281","0.0004","90","","90","","90","","1322.18","0.13","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N O7 -","- C14 H11 N O7 -","- C56 H44 N4 O28 -","4","1","","Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Substituted quinoline quinones as surrogates for the PQQ cofactor: an electrochemical and computational study.","Organic letters","2015","17","8","1850","1853","10.1021/acs.orglett.5b00486","","","0.71073","MoKα","","0.0229","0.0222","","","0.0602","0.0607","","","","","","1.039","","","","has coordinates","238161","2020-10-21","18:00:00",""
"1554922","21.4324","0.0012","13.5256","0.0008","8.8733","0.0005","90","","90","","90","","2572.2","0.3","292.94","0.1","292.94","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H28 N2 O5 -","- C31 H28 N2 O5 -","- C124 H112 N8 O20 -","4","1","","Zhang, Si-Chen; Lei, Xin-Xin; Yang, Yong-jian; Luo, Yong-Chun; Zhang, Huan-Huan; Xu, Peng-Fei","Palladium catalysed [3 + 2]-annulation reaction of vinylcyclopropanes with pentafulvenes: synthesis of polysubstituted spiro[4,4]nona-6,8-dienes","Organic Chemistry Frontiers","2019","6","14","2415","","10.1039/C9QO00467J","","","0.71073","MoKα","","0.0811","0.0502","","","0.0894","0.1086","","","","","","1.055","","","","has coordinates","238211","2020-10-21","18:00:00",""
"1554933","15.971","0.004","4.2214","0.0011","13.319","0.003","90","","90","","90","","898","0.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","1","","Peng, Yingyuan; He, Qian; Zhang, Xiaofei; Yang, Chunhao","Pd-Catalyzed intramolecular C‒H activation and C‒S formation to synthesize pyrazolo[5,1-b]benzothiazoles without an additional oxidant","Organic Chemistry Frontiers","2019","6","18","3234","","10.1039/C9QO00484J","","","0.71073","MoKα","","0.0485","0.0387","","","0.0807","0.0848","","","","","","0.991","","","","has coordinates","238219","2020-10-21","18:00:00",""
"1555021","12.91","0.005","9.664","0.005","12.157","0.006","90","","90","","90","","1516.7","1.2","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","6-((2-hydroxyphenyl)(phenyl)methyl)cyclohex-2-enone","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Lewis, Robert S.; Garza, Christopher J.; Dang, Ann T.; Pedro, Te Kie A.; Chain, William J.","Michael Additions of Highly Basic Enolates to ortho-Quinone Methides.","Organic letters","2015","17","9","2278","2281","10.1021/acs.orglett.5b00972","","x-ray","0.71075","MoKα","","","0.0567","","","","0.1731","","","","","","0.845","","","","has coordinates","238275","2020-10-21","18:00:00",""
"1555180","32.9549","0.0008","12.7486","0.0002","24.5123","0.0006","90","","90","","90","","10298.3","0.4","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H28 N2 O6 -","- C31.4775 H25.2 N2 O6 -","- C503.64 H403.2 N32 O96 -","16","4","","Chen, Meng-Ting; Zhang, Yang; Vysotsky, Myroslav O.; Lindner, Joachim O.; Li, Meng-Hua; Lin, Mei-Jin; Würthner, Frank","1,1′-Bi(2-naphthol-4,5-dicarboximide)s: blue emissive axially chiral scaffolds with aggregation-enhanced emission properties","Organic Chemistry Frontiers","2019","6","22","3731","","10.1039/C9QO01090D","","x-ray","1.54184","CuKα","","0.1779","0.1534","","","0.3425","0.3669","","","","","","1.351","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555199","28.7181","0.0008","16.094","0.0004","7.4702","0.0002","90","","90","","90","","3452.65","0.16","100","2","99.98","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","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","","","0.71073","MoKα","","0.0623","0.047","","","0.0946","0.1004","","","","","","1.037","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555230","24.1416","0.0007","10.1959","0.0003","20.5376","0.0006","90","","90","","90","","5055.2","0.3","293.78","0.1","293.78","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H25 F2 I N2 O4 S -","- C23 H25 F2 I N2 O4 S -","- C184 H200 F16 I8 N16 O32 S8 -","8","2","","Wang, Yu-Qi; He, Yu-Tao; Zhang, Lu-Lu; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Palladium-Catalyzed Radical Cascade Iododifluoromethylation/Cyclization of 1,6-Enynes with Ethyl Difluoroiodoacetate.","Organic letters","2015","17","17","4280","4283","10.1021/acs.orglett.5b02068","","x-ray","0.71","MoKα","","0.0663","0.0424","","","0.0717","0.0853","","","","","","1.047","","","","has coordinates","238410","2020-10-21","18:00:00",""
"1555294","8.9685","0.0001","11.8374","0.0001","12.3725","0.0001","90","","90","","90","","1313.51","0.02","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","","Liu, Wei; Li, Hou-Jin; Xu, Meng-Yang; Ju, Ying-Chen; Wang, Lai-You; Xu, Jun; Yang, De-Po; Lan, Wen-Jian","Pseudellones A-C, Three Alkaloids from the Marine-Derived Fungus Pseudallescheria ellipsoidea F42-3.","Organic letters","2015","17","21","5156","5159","10.1021/acs.orglett.5b02311","","","0.71073","MoKα","","0.0327","0.0323","","","0.0846","0.0849","","","","","","1.086","","","","has coordinates","238441","2020-10-21","18:00:00",""
"1555386","8.7914","0.0004","22.2498","0.0011","11.9566","0.0005","90","","90","","90","","2338.79","0.19","105","","105","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Chingle, Ramesh; Lubell, William D.","Azopeptides: Synthesis and Pericyclic Chemistry.","Organic letters","2015","17","21","5400","5403","10.1021/acs.orglett.5b02723","","x-ray","1.34139","GaKα","","0.049","0.0388","","","0.0922","0.0979","","","","","","1.05","","","","has coordinates","238593","2020-10-21","18:00:00",""
"1555435","23.0883","0.001","8.2485","0.0004","17.6035","0.0008","90","","90","","90","","3352.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C176 H128 O32 -","8","2","","Shyam Sundar, M.; Bedekar, Ashutosh V.","Synthesis and Study of 7,12,17-Trioxa[11]helicene.","Organic letters","2015","17","23","5808","5811","10.1021/acs.orglett.5b02948","","","0.71073","MoKα","","0.0788","0.0533","","","0.1055","0.1179","","","","","","1.034","","","","has coordinates","238668","2020-10-21","18:00:00",""
"1555465","9.2786","0.0015","23.641","0.004","7.5289","0.0011","90","","90","","90","","1651.5","0.5","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H14 O4 -","- C21 H14 O4 -","- C84 H56 O16 -","4","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","","0.067","0.0409","","","0.0893","0.1006","","","","","","0.936","","","","has coordinates","238731","2020-10-21","18:00:00",""
"1555485","17.7894","0.0015","18.2676","0.0016","5.7336","0.0006","90","","90","","90","","1863.2","0.3","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H13 Cl F N3 O S -","- C22 H13 Cl F N3 O S -","- C88 H52 Cl4 F4 N12 O4 S4 -","4","1","","Fan, Wei; Li, Qun; Li, Yanrong; Sun, Hao; Jiang, Bo; Li, Guigen","I2/O2-Enabled N-S Bond Formation to Access Functionalized 1,2,3-Thiadiazoles.","Organic letters","2016","18","6","1258","1261","10.1021/acs.orglett.6b00079","","","0.71073","MoKα","","0.073","0.0442","","","0.0708","0.0776","","","","","","1.012","","","","has coordinates","238773","2020-10-21","18:00:00",""
"1555619","8.0841","0.0002","14.9751","0.0003","6.2629","0.0001","90","","90","","90","","758.19","0.03","100","","100.02","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C28 H20 I4 O12 -","4","1","","Jardim, Guilherme A. M.; Bower, John F.; da Silva Júnior, Eufrânio N","Rh-Catalyzed Reactions of 1,4-Benzoquinones with Electrophiles: C-H Iodination, Bromination, and Phenylselenation.","Organic letters","2016","18","18","4454","4457","10.1021/acs.orglett.6b01586","","","0.71073","MoKα","","0.0189","0.015","","","0.0305","0.0316","","","","","","1.033","","","","has coordinates","238951","2020-10-21","18:00:00",""
"1555639","15.3059","0.0008","12.1881","0.0006","9.628","0.0006","90","","90","","90","","1796.1","0.17","293.6","0.1","293.6","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Chen, Si; Wu, Xin-Xing; Wang, Jia; Hao, Xin-Hua; Xia, Yu; Shen, Yi; Jing, Huanwang; Liang, Yong-Min","Palladium-Catalyzed Intramolecular Dearomatization of Indoles via Decarboxylative Alkynyl Termination.","Organic letters","2016","18","16","4016","4019","10.1021/acs.orglett.6b01711","","x-ray","0.71073","MoKα","","0.0727","0.0499","","","0.105","0.122","","","","","","1.067","","","","has coordinates","238971","2020-10-21","18:00:00",""
"1555690","9.672","0.004","25.53","0.009","9.182","0.003","90","","90","","90","","2267.3","1.4","293","2","293","2","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C27 H24 F N O2 -","- C27 H24 F N O2 -","- C108 H96 F4 N4 O8 -","4","1","","Rajesh, Manda; Puri, Surendra; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of Substituted Furan/Pyrrole-3-carboxamides through a Tandem Nucleopalladation and Isocyanate Insertion.","Organic letters","2016","18","17","4332","4335","10.1021/acs.orglett.6b02077","","","0.71075","MoKα","","0.1138","0.0591","","","0.1207","0.1367","","","","","","0.839","","","","has coordinates","239020","2020-10-21","18:00:00",""
"1555708","14.58554","0.00008","8.33918","0.00005","25.4351","0.0002","90","","90","","90","","3093.71","0.03","99.95","0.16","99.95","0.16","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(2,6-Diisopropylphenyl)-2H-benzotriazole","","- C18 H21 N3 -","- C18 H21 N3 -","- C144 H168 N24 -","8","2","","Kim, Seyong; Jo, Junyong; Lee, Dongwhan","Conformationally Distorted π-Conjugation for Reaction-Based Detection of Nickel: Fluorescence Turn-on by Twist-and-Fragment.","Organic letters","2016","18","18","4530","4533","10.1021/acs.orglett.6b02140","","x-ray","1.54184","CuKα","","0.0324","0.032","","","0.0864","0.087","","","","","","1.045","","","","has coordinates","239039","2020-10-21","18:00:00",""
"1555763","15.6433","0.0002","8.7737","0.0001","31.105","0.002","90","","90","","90","","4269.1","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H26 O6 -","- C25 H26 O6 -","- C200 H208 O48 -","8","2","","Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang","Catalytic Enantioselective Total Synthesis of Hypocrolide A.","Organic letters","2016","18","19","4932","4935","10.1021/acs.orglett.6b02414","","","1.54187","CuKα","","0.0521","0.0449","","","0.1202","0.1277","","","","","","1.08","","","","has coordinates","239093","2020-10-21","18:00:00",""
"1555781","10.9219","0.0007","22.3462","0.0014","13.7789","0.0009","90","","90","","90","","3362.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H25 Br O2 -","- C15 H25 Br O2 -","- C120 H200 Br8 O16 -","8","2","","Shen, Minxing; Kretschmer, Manuel; Brill, Zachary G.; Snyder, Scott A.","Strategies for the Total Synthesis of Diverse Bromo-Chamigrenes.","Organic letters","2016","18","19","5018","5021","10.1021/acs.orglett.6b02478","","","0.71073","MoKα","","0.0848","0.0452","","","0.0983","0.1115","","","","","","1.016","","","","has coordinates","239111","2020-10-21","18:00:00",""
"1555799","14.933","0.004","5.3922","0.0015","25.637","0.007","90","","90","","90","","2064.3","1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N O -","- C15 H9 N O -","- C120 H72 N8 O8 -","8","2","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.0712","0.0476","","","0.1281","0.1456","","","","","","0.995","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555892","19.87","0.03","16.3","0.02","8.985","0.012","90","","90","","90","","2910","7","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H31 F3 N O3 P S2 -","- C31 H31 F3 N O3 P S2 -","- C124 H124 F12 N4 O12 P4 S8 -","4","1","","Unoh, Yuto; Yokoyama, Yuki; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Regioselective Synthesis of Benzo[b]phosphole Derivatives via Direct ortho-Alkenylation and Cyclization of Arylthiophosphinamides.","Organic letters","2016","18","20","5436","5439","10.1021/acs.orglett.6b02868","","","0.71075","MoKα","","0.1886","0.1115","","","0.2346","0.2773","","","","","","1.103","","","","has coordinates","239217","2020-10-21","18:00:00",""
"1555963","19.3264","0.0012","16.2685","0.001","9.8756","0.0006","90","","90","","90","","3105","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C66 H5 Co O -","- C66 H5 Co O -","- C264 H20 Co4 O4 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Co(I)-Mediated Removal of Addends on the C<sub>60</sub> Cage and Formation of the Monovalent Cobalt Complex CpCo(CO)(η<sup>2</sup>-C<sub>60</sub>).","Organic letters","2016","18","24","6348","6351","10.1021/acs.orglett.6b03238","","","0.71073","MoKα","","0.0363","0.0344","","","0.0924","0.0957","","","","","","1.051","","","","has coordinates","239284","2020-10-21","18:00:00",""
"1556021","9.9288","0.0005","26.7988","0.0015","4.7384","0.0002","90","","90","","90","","1260.79","0.11","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Yin, Kun; Zhang, Ronghua","Transition-Metal-Free Direct C-H Arylation of Quinoxalin-2(1H)-ones with Diaryliodonium Salts at Room Temperature.","Organic letters","2017","19","7","1530","1533","10.1021/acs.orglett.7b00310","","","0.71073","MoKα","","0.0547","0.0464","","","0.1077","0.1132","","","","","","1.092","","","","has coordinates","239342","2020-10-21","18:00:00",""
"1556078","10.145","0.006","26.485","0.015","4.785","0.003","90","","90","","90","","1285.7","1.3","293","2","293","2","","","","","","","see text","6","P n a 21","P 2c -2n","33","","","","- C14 H11 Br F N O -","- C14 H11 Br F N O -","- C56 H44 Br4 F4 N4 O4 -","4","1","","Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Decarbethoxylative Arylation Employing Arynes: A Metal-Free Pathway to Arylfluoroamides.","Organic letters","2017","19","21","6016","6019","10.1021/acs.orglett.7b03072","","","0.71075","MoKα","","0.147","0.0867","","","0.1874","0.2243","","","","","","0.974","","","","has coordinates","239394","2020-10-21","18:00:00",""
"1556365","28.1795","0.0007","14.8684","0.0004","8.9668","0.0002","90","","90","","90","","3756.95","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H50 Dy3 N8 O21 -","- C22 H49 Dy3 N8 O21 -","- C88 H196 Dy12 N32 O84 -","4","1","","Wang, Yu-Xia; Shi, Wei; Li, Han; Song, You; Fang, Liang; Lan, Yanhua; Powell, Annie K.; Wernsdorfer, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Shen, Mingrong; Cheng, Peng","A single-molecule magnet assembly exhibiting a dielectric transition at 470 K","Chemical Science","2012","3","12","3366","","10.1039/c2sc21023a","","","0.71073","MoKα","","0.0412","0.0404","","","0.0987","0.0993","","","","","","1.06","","","","has coordinates","244379","2020-10-21","18:00:00",""
"1556430","6.9224","0.0007","8.8551","0.0009","21.377","0.002","90","","90","","90","","1310.4","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H13 N O -","- C20 H13 N O -","- C80 H52 N4 O4 -","4","1","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.71073","MoKα","","0.028","0.0268","","","0.0709","0.0719","","","","","","1.059","","","","has coordinates","244927","2020-10-21","18:00:00",""
"1556551","20.526","0.0016","10.367","0.0006","17.0858","0.001","90","","90","","90","","3635.7","0.4","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H39 I Ni P3 -","- C41 H39 I Ni P3 -","- C164 H156 I4 Ni4 P12 -","4","1","","Iffland, L.; Petuker, A.; Van Gastel, M.; Apfel, U.-P.","Mechanistic Implications for the Ni(I)-Catalyzed Kumada Cross-Coupling Reaction","Inorganics","2017","5","","78","","10.3390/inorganics5040078","","","0.71073","MoKα","","0.2132","0.0787","","","0.1646","0.2167","","","","","","0.941","","","","has coordinates","245050","2020-10-21","18:00:00",""
"1556793","17.5616","0.001","14.8078","0.0009","6.1199","0.0003","90","","90","","90","","1591.47","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","SD-1‒8-1‒7 4-I—F4-PhCOOH, 2,3,5,6-Me4-pyrazine","","- C15 H13 F4 I N2 O2 -","- C15 H13 F4 I N2 O2 -","- C60 H52 F16 I4 N8 O8 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0727","0.0508","","","0.1326","0.1539","","","","","","1.066","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556863","14.1294","0.0009","16.6197","0.0008","15.8282","0.0008","90","","90","","90","","3716.9","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H49 F5 N3 Ni -","- C45 H49 F5 N3 Ni -","- C180 H196 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.1623","0.0792","","","0.18","0.2265","","","","","","1.037","","","","has coordinates,has disorder","257307","2020-10-21","18:00:00",""
"1556865","8.2007","0.0005","7.7793","0.0005","24.6164","0.0018","90","","90","","90","","1570.42","0.18","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 I2 N2 O7 -","- C12 H8 I2 N2 O7 -","- C48 H32 I8 N8 O28 -","4","1","","Zhang, Guangtao; Wang, Yuanxun; Xu, Jun; Sun, Jiyun; Sun, Fengxia; Zhang, Yilin; Zhang, Chenglin; Du, Yunfei","A new hypervalent iodine(iii/v) oxidant and its application to the synthesis of 2H-azirines","Chemical Science","2020","11","4","947","953","10.1039/C9SC05536C","","x-ray","1.54184","CuKα","","0.0662","0.0533","","","0.1252","0.1323","","","","","","1.098","","","","has coordinates","257317","2020-10-21","18:00:00",""
"1557199","14.003","0.004","10.958","0.002","11.801","0.002","90","","90","","90","","1810.8","0.7","","","103","","","","","","","","","6","P n a 21","P 2c -2n","33","(Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I)","","","- C6 H18 I4 N3 P Se -","- C6 I4 N3 P Se -","- C24 I16 N12 P4 Se4 -","4","1","","Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar","Three-Center, Four-Electron Bonding and Structural Characteristics of Two-Coordinate Iodine(I) Complexes with Halogen and Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I) and Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine Molecular Complex","Acta Chemica Scandinavica","1997","51","","689","708","10.3891/acta.chem.scand.51-0689","","x-ray","0.71069","MoKα","","0.0289","0.0233","","","9.0729","0.087","","","","","","0.617","","","","has coordinates","247409","2020-10-21","18:00:00",""
"1557228","27.571","0.003","19.7599","0.0018","19.1951","0.0018","90","","90","","90","","10457.5","1.8","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C101 H48 F40 N12 Ni O7 -","- C101 H48 F40 N12 Ni O7 -","- C404 H192 F160 N48 Ni4 O28 -","4","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.0953","0.0551","","","0.1074","0.1184","","","","","","1.005","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557317","19.104","0.004","10.799","0.003","5.419","0.003","90","","90","","90","","1118","0.7","","","158","","","","","","","","","4","P n a 21","P 2c -2n","33","4-Methoxy-2-(dinitromethylene)-1(2H)-naphthalenone","","","- C12 H8 N2 O6 -","- C12 N2 O6 -","- C48 N8 O24 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola; Thompson, Rewi S.; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane. Part XLI. Addition Ipso to a Methoxy Group and the Effect of Methanol in the Photochemical Reaction between 1,4-Dimethoxynaphthalene and Tetranitromethane","Acta Chemica Scandinavica","1997","51","","1066","1077","10.3891/acta.chem.scand.51-1066","","x-ray","0.71069","MoKα","","","0.0462","","","0.115","","","","","","","","","","","has coordinates","248151","2020-10-21","18:00:00",""
"1557564","7.641","0.002","11.088","0.002","14.632","0.003","90","","90","","90","","1239.7","0.5","","","138","","","","","","","","","3","P n a 21","P 2c -2n","33","(3-(N,N-Dimethylamino)-1-pheny1-2-propenylidene)propanedinitrile","","","- C14 H13 N3 -","- C14 N3 -","- C56 N12 -","4","1","","Kolsaker, Per; Karlsen, Hege; Romming, Christian","Reaction between 2-Phenyl-1,1-dicyanoallyl Anion and N-Methyl-2,2-dimethylpropionitrilium and N1,N2,N2-Trimethyl-2,2-dimethylpropionylamidinium Trifluoromethanesulfonates","Acta Chemica Scandinavica","1996","50","","623","632","10.3891/acta.chem.scand.50-0623","","x-ray","0.71069","MoKα","","","0.045","","","0.05","","","","","","","2.6","","","","has coordinates","249227","2020-10-21","18:00:00",""
"1557678","11.4263","0.0002","19.625","0.0003","15.7208","0.0004","90","","90","","90","","3525.25","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","RN5-163","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C160 H184 Br8 O16 -","8","2","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","","0.71073","MoKα","","0.071","0.0386","","","0.0685","0.0757","","","","","","0.973","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557862","18.8949","0.0006","10.1078","0.0004","23.9918","0.0007","90","","90","","90","","4582.1","0.3","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H35 Al N6 -","- C20 H35 Al N6 -","- C160 H280 Al8 N48 -","8","2","","Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates","Catalysis Science & Technology","2020","10","10","3265","3278","10.1039/D0CY00593B","","","0.71073","MoKα","","0.0751","0.0463","","","0.0949","0.1064","","","","","","1.003","","","","has coordinates","257207","2020-10-21","18:00:00",""
"1557959","7.2106","0.0008","35.399","0.004","7.0277","0.0008","90","","90","","90","","1793.8","0.3","88","2","88","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H20 N Na O10 S -","- C12 H20 N Na O10 S -","- C48 H80 N4 Na4 O40 S4 -","4","1","","Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A.","Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00143","","","0.71073","MoKα","","0.0486","0.0465","","","0.0971","0.0982","","","","","","1.049","","","","has coordinates","251307","2020-10-21","18:00:00",""
"1558095","27.1669","0.0007","18.3273","0.0004","13.8912","0.0002","90","","90","","90","","6916.4","0.3","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","[(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]","[(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]","","- C24 H54 Ag6 O46 S6 Si W12 -","- C24 H54 Ag6 O46 S6 Si W12 -","- C96 H216 Ag24 O184 S24 Si4 W48 -","4","1","","Hu, Ting; Hu, Chunli; Li, Yuhang; Meng, Lingyi; Xie, Yiming; Liao, Mingyue; Zhong, Guiming; Lu, Can-Zhong","Synthesis and characterization of a nanocluster-based silver(i) tert-butylethynide compound with a large second-harmonic generation response.","Nanoscale","2020","12","22","11847","11857","10.1039/d0nr03364b","","","0.71073","MoKα","","0.0452","0.0359","","","0.0716","0.0761","","","","","","1.048","","","","has coordinates","253931","2020-10-21","18:00:00",""
"1558458","17.229","0.002","6.41","0.002","17.161","0.004","90","","90","","90","","1895.2","0.8","","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Argay, Gyula; Sillanpaa, Reijo; Stajer, Geza; Bernath, Gabor","X-Ray Structure of a Saturated Methylene-bridged Isoindolo[1,2-b][1,3]benzoxazine","Acta Chemica Scandinavica","1994","48","","530","532","10.3891/acta.chem.scand.48-0530","","x-ray","0.71069","MoKα","","","0.038","","","0.041","","","","","","","","","","","has coordinates","253613","2020-10-21","18:00:00",""
"1558466","23.0271","0.0003","5.7175","0.0001","20.879","0.0004","90","","90","","90","","2748.88","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls","Chemical Science","2020","","","","","10.1039/D0SC03118F","","x-ray","1.54184","CuKα","","0.0596","0.0565","","","0.1278","0.1298","","","","","","1.079","","","","has coordinates","253646","2020-10-21","18:00:00",""
"1558476","25.6129","0.0011","7.265","0.0003","7.5367","0.0003","90","","90","","90","","1402.41","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0298","0.0278","","","0.0735","0.0748","","","","","","1.032","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558484","37.608","0.004","13.6961","0.0014","18.1426","0.0019","90","","90","","90","","9344.9","1.7","142","2","142","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C92 H138 Cl N2 O2 Rh Si7 -","- C92 H138 Cl N2 O2 Rh Si7 -","- C368 H552 Cl4 N8 O8 Rh4 Si28 -","4","1","","Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization","Chemical Science","2020","","","","","10.1039/D0SC02861D","","","0.71073","MoKα","","0.0566","0.0408","","","0.076","0.0807","","","","","","1.008","","","","has coordinates,has disorder","253684","2020-10-21","18:00:00",""
"1558491","16.0816","0.0008","18.5757","0.001","5.1129","0.0003","90","","90","","90","","1527.36","0.14","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C76 H56 N16 -","4","1","","Szukalski, Adam; Haupa, Karolina A.; Janczak, Jan; Przybył, Bartosz; Sznitko, Lech; Myśliwiec, Jarosław","Lasing Properties Activation by Constitutional Isomerism of an Electron-Accepting Group","The Journal of Physical Chemistry C","2020","124","25","13845","13857","10.1021/acs.jpcc.0c01054","","","0.71073","MoKα","","0.0724","0.0343","","","0.0498","0.0542","","","","","","1","","","","has coordinates","257156","2020-10-21","18:00:00",""
"1558542","16.5281","0.0006","12.2177","0.0005","15.9821","0.0006","90","","90","","90","","3227.4","0.2","173.05","0.1","173.05","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H49 Al N2 O -","- C35 H49 Al N2 O -","- C140 H196 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0502","0.0416","","","0.1023","0.1074","","","","","","1.032","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558543","16.1355","0.0005","12.4185","0.0004","15.8598","0.0005","90","","90","","90","","3177.97","0.17","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H47 Al N2 O -","- C34 H47 Al N2 O -","- C136 H188 Al4 N8 O4 -","4","1","","Hooper, Thomas; Brown, Ryan; Rekhroukh, Feriel; Garçon, Martí; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark Richard","Catalyst Control of Selectivity in the C‒O Bond Alumination of Biomass Derived Furans","Chemical Science","2020","","","","","10.1039/D0SC01918F","","x-ray","0.71073","MoKα","","0.0549","0.0444","","","0.0989","0.1056","","","","","","1.029","","","","has coordinates","254136","2020-10-21","18:00:00",""
"1558723","17.1075","0.0003","6.98646","0.0001","19.6635","0.0002","90","","90","","90","","2350.2","0.06","139.99","0.1","139.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C88 H100 N4 O16 S4 -","4","1","","Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian","Thermodynamics and kinetics of protonated merocyanine photoacids in water","Chemical Science","2020","","","","","10.1039/D0SC03152F","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0827","0.0832","","","","","","1.037","","","","has coordinates","254716","2020-10-21","18:00:00",""
"1558835","16.5576","0.0006","13.6347","0.0006","35.072","0.0016","90","","90","","90","","7917.8","0.6","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H90 Br6 N14 O10 Zn3 -","- C64 H90 Br6 N14 O10 Zn3 -","- C256 H360 Br24 N56 O40 Zn12 -","4","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","","0.064","0.0539","","","0.1291","0.1386","","","","","","1.043","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558837","15.889","0.002","13.4934","0.0013","33.29","0.008","90","","90","","90","","7137","2","100","0.6","100","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H62 Br6 N6 O8 Zn3 -","- C50 H62 Br6 N6 O8 Zn3 -","- C200 H248 Br24 N24 O32 Zn12 -","4","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","","x-ray","1.3405","GaKα","","0.1326","0.1125","","","0.2757","0.2923","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558838","15.659","0.003","13.6267","0.0018","32.01","0.002","90","","90","","90","","6830.3","1.6","99.9","0.6","99.9","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","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","","x-ray","1.3405","GaKα","","0.1333","0.1275","","","0.2571","0.26","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558840","16.3631","0.0003","13.1544","0.0002","30.779","0.0005","90","","90","","90","","6625.08","0.19","100","0.7","100","0.7","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","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","","x-ray","1.3405","GaKα","","0.1197","0.1073","","","0.2277","0.2351","","","","","","1.038","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558887","9.776","0.0009","25.127","0.002","11.0644","0.001","90","","90","","90","","2717.9","0.4","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H39 Al N4 O -","- C30 H39 Al N4 O -","- C120 H156 Al4 N16 O4 -","4","1","","Sigmund, Lukas M.; Greb, Lutz","Reversible OH-Bond Activation and Amphoterism by Metal-Ligand Cooperativity of the Calix[4]pyrrolato Aluminate","Chemical Science","2020","","","","","10.1039/D0SC03602A","","","0.71073","MoKα","","0.0471","0.0364","","","0.0792","0.0852","","","","","","1.035","","","","has coordinates","255503","2020-10-21","18:00:00",""
"1558896","17.9616","0.0007","7.6761","0.0003","21.5205","0.0009","90","","90","","90","","2967.1","0.2","110","2","109.99","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","2","","Shahni, Rahul K.; Mabin, Micah; Wang, Zhihan; Shaik, Muneer; Ugrinov, Angel; Chu, Qianli R.","Synthesis and characterization of BPA-free polyesters by incorporating a semi-rigid cyclobutanediol monomer","Polymer Chemistry","2020","11","37","6081","6090","10.1039/D0PY01098G","","","1.54178","CuKα","","0.0825","0.0782","","","0.204","0.2071","","","","","","1.082","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558921","12.0487","0.0015","7.969","0.002","10.9735","0.0011","90","","90","","90","","1053.6","0.3","","","122","","","","","","","","","5","P n a 21","P 2c -2n","33","fac-[Ir(tacn)Cl3] (tacn = 1,4,7-triazacyclononane)","","","- C6 H15 Cl3 Ir N3 -","- C6 Cl3 Ir N3 -","- C24 Cl12 Ir4 N12 -","4","1","","Gajhede, Michael; Simonsen, Kim; Skov, Lars Kobberoe","The Preparation and Crystal Structure of fac-[Ir(tacn)Cl3] (tacn = 1,4,7-triazacyclononane) and the Preparation of Cs[Ir(H2O)6](SO4)2.6H2O","Acta Chemica Scandinavica","1993","47","","271","274","10.3891/acta.chem.scand.47-0271","","x-ray","0.71069","MoKα","","","0.026","","","0.031","","","","","","","2.109","","","","has coordinates","255689","2020-10-21","18:00:00",""
"1558940","15.2108","0.0001","24.5048","0.0002","9.7034","0.0001","90","","90","","90","","3616.82","0.05","150","2","150.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H58 N O2 Sc Si -","- C37 H58 N O2 Sc Si -","- C148 H232 N4 O8 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0546","0.0522","","","0.14","0.1432","","","","","","1.044","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558954","16.905","0.002","10.157","0.001","9.097","0.001","90","","90","","90","","1562","0.3","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","3,3-Dimethyl-1,5,9-trioxacyclododecane Lithium Perchlorate","","","- C11 H22 Cl Li O7 -","- C11 Cl Li O7 -","- C44 Cl4 Li4 O28 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Fredriksen, Siw B.; Dale, Johannes","12-Crown-3 Type Li+ Complexes: Structures of 3,3-Dimethyl-1,5,9-trioxacyclododecane Lithium Perchlorate and 3-Methoxymethyl-3-methyl-1,5,9-trioxacyclododecane Lithium Perchlorate Hemihydrate","Acta Chemica Scandinavica","1993","47","","663","667","10.3891/acta.chem.scand.47-0663","","x-ray","0.71069","MoKα","","","0.08","","","0.088","","","","","","","0.58","","","","has coordinates","255801","2020-10-21","18:00:00",""
"1558955","26.614","0.005","14.711","0.004","9.033","0.002","90","","90","","90","","3536.6","1.4","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","3-Methoxymethyl-3-methyl-1,5,9-trioxacyclododecane Lithium Perchlorate Hemihydrate","","","- C12 H25 Cl Li O8.5 -","- C12 Cl Li O8.5 -","- C96 Cl8 Li8 O68 -","8","2","","Tinant, Bernard; Declercq, Jean-Paul; Fredriksen, Siw B.; Dale, Johannes","12-Crown-3 Type Li+ Complexes: Structures of 3,3-Dimethyl-1,5,9-trioxacyclododecane Lithium Perchlorate and 3-Methoxymethyl-3-methyl-1,5,9-trioxacyclododecane Lithium Perchlorate Hemihydrate","Acta Chemica Scandinavica","1993","47","","663","667","10.3891/acta.chem.scand.47-0663","","x-ray","0.71069","MoKα","","","0.057","","","0.057","","","","","","","2.07","","","","has coordinates","255802","2020-10-21","18:00:00",""
"1559116","20.6809","0.0002","18.5748","0.0002","15.7154","0.0002","90","","90","","90","","6036.97","0.12","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C65 H87 In N2 O4 P2 -","- C65 H87 In N2 O4 P2 -","- C260 H348 In4 N8 O16 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0291","0.027","","","0.0692","0.0707","","","","","","1.067","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559122","14.475","0.0004","17.9946","0.0005","8.0979","0.0002","90","","90","","90","","2109.27","0.1","90","0.2","90","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H20 Au F6 N2 P S2 -","- C18 H20 Au F6 N2 P S2 -","- C72 H80 Au4 F24 N8 P4 S8 -","4","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0164","0.0144","","","0.0345","0.0354","","","","","","1.055","","","","has coordinates","256553","2020-10-21","18:00:00",""
"1559123","14.1989","0.0004","18.1306","0.0005","8.1046","0.0002","90","","90","","90","","2086.4","0.1","90","0.2","90","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H20 Au F6 N2 P S2 -","- C17 H20 Au F6 N2 P S2 -","- C68 H80 Au4 F24 N8 P4 S8 -","4","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.026","0.0238","","","0.0517","0.0522","","","","","","1.304","","","","has coordinates,has disorder","256553","2020-10-21","18:00:00",""
"1559169","7.5919","0.0002","32.0914","0.0006","21.403","0.0005","90","","90","","90","","5214.5","0.2","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H28 N2 O2 Si -","- C26 H28 N2 O2 Si -","- C208 H224 N16 O16 Si8 -","8","2","","Numasawa, Koji; Hanaoka, Kenjiro; Ikeno, Takayuki; Echizen, Honami; Ishikawa, Tomoe; Morimoto, Masakazu; Komatsu, Toru; Ueno, Tasuku; Ikegaya, Yuji; Nagano, Tetsuo; Urano, Yasuteru","A cytosolically localized far-red to near-infrared rhodamine-based fluorescent probe for calcium ions.","The Analyst","2020","145","23","7736","7740","10.1039/d0an01739f","","","1.54178","","","0.0598","0.0591","","","0.1614","0.1621","","","","","","1.084","","","","has coordinates","259599","2020-12-06","13:06:44",""
"1559180","30.1054","0.0006","10.64028","0.00019","10.64427","0.00019","90","","90","","90","","3409.68","0.11","173","","173","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H28 B Cl6 F3 N2 O5 S -","- C29 H28 B Cl6 F3 N2 O5 S -","- C116 H112 B4 Cl24 F12 N8 O20 S4 -","4","1","","Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto","Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","11","1517","1521","10.1039/d0pp00296h","","","1.54187","CuKα","","0.0609","0.0589","","","0.1515","0.1548","","","","","","1.036","","","","has coordinates","259623","2020-12-06","14:51:17",""
"1559188","32.861","0.006","8.4446","0.0015","11.602","0.002","90","","90","","90","","3219.5","1","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","2","","Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng","A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets","The Analyst","2020","","","","","10.1039/D0AN01847C","","","0.71073","MoKα","","0.1269","0.0676","","","0.2023","0.2165","","","","","","1.259","","","","has coordinates","282214","2023-04-03","16:35:42",""
"1559271","35.83","0.002","14.292","0.009","11.057","0.006","90","","90","","90","","5662","5","194","2","194","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","","- C25 H29 Cl3 N4 Si Zr -","- C25 H29 Cl3 N4 Si Zr -","- C200 H232 Cl24 N32 Si8 Zr8 -","8","2","ZQ4018","Li, Wei; Bai, Shengdi; Su, Feng; Duan, Xine; Liu, Diansheng","[<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV)","IUCrData","2017","2","3","x170380","","10.1107/S2414314617003807","","","0.71073","MoKα","","0.1377","0.0662","","","0.1429","0.1937","","","","","","1.004","","","","has coordinates,has Fobs","257225","2020-10-21","18:00:00",""
"1559868","20.235","0.004","6.783","0.001","27.996","0.006","90","","90","","90","","3842.6","1.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Keinan-31","Pentakis(t-butylsulfido)corannulene","","- C40 H50 S5 -","- C40 H50 S5 -","- C160 H200 S20 -","4","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.127","0.0791","","","0.2085","0.2449","","","","","","1.155","","","","has coordinates","260155","2020-12-26","01:41:20",""
"1559888","12.1157","0.0004","6.1134","0.0002","9.97","0.0003","90","","90","","90","","738.46","0.04","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 D6 O6 -","- C7 H4 D6 O6 -","- C28 H16 D24 O24 -","4","1","","Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.","Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes","Chemical Science","2021","12","7","2549","2557","10.1039/D0SC06219G","","","1.54184","CuKα","","0.031","0.0309","","0.0816","0.0816","0.0816","","","","","","1.0267","","","","has coordinates","262547","2021-03-05","01:39:02",""
"1560021","8.0035","0.0007","27.389","0.002","12.6664","0.001","90","","90","","90","","2776.6","0.4","110","2","110","","","","","","","","","7","P n a 21","P 2c -2n","33","","C33H25F3NO3PS","","- C33 H25 F3 N O3 P S -","- C33 H25 F3 N O3 P S -","- C132 H100 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0512","0.0448","","","0.097","0.1003","","","","","","1.096","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560116","19.796","0.005","8.413","0.002","13.102","0.003","90","","90","","90","","2182.1","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H32 Cl5 N4 Ti2 -","- C12 H32 Cl5 N4 Ti2 -","- C48 H128 Cl20 N16 Ti8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0559","0.0507","","","0.1171","0.1223","","","","","","1.096","","","","has coordinates","263671","2021-04-05","14:16:06",""
"1560261","15.718","0.002","17.893","0.003","10.5835","0.0015","90","","90","","90","","2976.5","0.8","453","1","453","1","","","","","","","","6","P n a 21","P 2c -2n","33","2(C8 H20 N), Cl0.14 I3.86 Zn","","","- C16 H40 Cl0.14 I3.86 N2 Zn -","- Cl0.14 I3.86 Re2 Zn -","- Cl0.56 I15.44 Re8 Zn4 -","4","1","","Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil","Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system","Journal of Solid State Chemistry","2017","256","","60","66","10.1016/j.jssc.2017.08.029","powder diffraction","x-ray","1.5418","CuKα","","0.1845","0.1266","","0.1569","0.1381","","","","0.15","","","","","","","has coordinates","261396","2021-02-03","10:19:58",""
"1560301","25.3115","0.0007","44.5483","0.0014","10.235","0.0002","90","","90","","90","","11540.8","0.5","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C144 H124 N2 P8 Ru2 S -","- C144 H124 N2 P8 Ru2 S -","- C576 H496 N8 P32 Ru8 S4 -","4","1","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","x-ray","1.54184","CuKα","","0.0716","0.0518","","","0.1377","0.152","","","","","","1.038","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560572","10.035","0.004","4.967","0.002","6.716","0.002","90","","90","","90","","334.8","0.2","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","lithium cobalt phosphate","","","- Co1.03 Li0.95 O4 P -","- Co1.027 Li0.952 O4 P -","- Co4.108 Li3.808 O16 P4 -","4","1","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0213","0.0213","","0.025","0.025","","","","1.27","","","","","","","has coordinates","262156","2021-02-23","09:51:10",""
"1560573","10.0256","0.0006","4.9631","0.0003","6.7157","0.0004","90","","90","","90","","334.16","0.03","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","lithium cobalt phosphate","","","- Co0.99 Li1.01 O4 P -","- Co0.987 Li1.013 O4 P -","- Co3.948 Li4.052 O16 P4 -","4","1","","Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom","Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres","Journal of Solid State Chemistry","2017","248","","9","17","10.1016/j.jssc.2017.01.015","powder diffraction","x-ray","0.7093","MoKα1","","0.0263","0.0261","","0.0303","0.0303","","","","1.62","","","","","","","has coordinates","262156","2021-02-23","09:51:13",""
"1560782","9.36","0.0008","13.345","0.0011","13.9766","0.0012","90","","90","","90","","1745.8","0.3","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H19 N3 O4 Zn -","- C17 H19 N3 O4 Zn -","- C68 H76 N12 O16 Zn4 -","4","1","","Contejean, Zaria I.; LaDuca, Robert L.","Nitroaromatic-detecting zinc and cadmium coordination polymers with methyl-substituted aliphatic dicarboxylate and 4,4′-dipyridylamine ligands and diverse topologies","Journal of Solid State Chemistry","2018","266","","44","53","10.1016/j.jssc.2018.06.034","","","0.71073","MoKα","","0.053","0.0441","","","0.1128","0.1198","","","","","","1.048","","","","has coordinates","262388","2021-03-03","09:42:43",""
"1561019","26.145","0.015","16.869","0.009","13.608","0.007","90","","90","","90","","6002","6","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C42 H47 Cu2 I2 N9 Na O14 Sr2 -","- C42 H48 Cu2 I2 N9 Na O14 Sr2 -","- C168 H192 Cu8 I8 N36 Na4 O56 Sr8 -","4","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","","0.0795","0.0665","","","0.1572","0.1698","","","","","","1.068","","","","has coordinates,has Fobs","263041","2021-03-15","08:59:38",""
"1561027","26.6385","0.0005","12.1506","0.0002","18.5863","0.0003","90","","90","","90","","6015.9","0.18","150","2","150.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H72 Mg3 N6 O12 -","- C63 H72 Mg3 N6 O12 -","- C252 H288 Mg12 N24 O48 -","4","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","","0.0521","0.0456","","","0.1154","0.1227","","","","","","1.011","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561279","30.9518","0.0006","6.9485","0.0002","15.9226","0.0003","90","","90","","90","","3424.45","0.14","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-ethoxy-4-(4-methoxyphenyl)-3-(trimethylsilyl)pyridine","","- C17 H23 N O2 Si -","- C17 H23 N O2 Si -","- C136 H184 N8 O16 Si8 -","8","2","","Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul","Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes","Chemical Science","2021","","","","","10.1039/D1SC01208H","","","0.71073","MoKα","","0.0513","0.0406","","","0.0934","0.0995","","","","","","1.024","","","","has coordinates","263337","2021-03-26","02:09:54",""
"1561283","11.7175","0.0003","21.3103","0.0006","4.9483","0.0002","90","","90","","90","","1235.61","0.07","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","strontium europium aluminum silicon nitride","","","- Al Eu0.02 N7 Si4 Sr0.98 -","- Al Eu0.016 N7 Si4 Sr0.984 -","- Al8 Eu0.128 N56 Si32 Sr7.872 -","8","2","","Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto","Synthesis, crystal structure, and luminescence properties of a new nitride polymorph, β-Sr0.98Eu0.02AlSi4N7","Journal of Solid State Chemistry","2018","258","","664","673","10.1016/j.jssc.2017.11.037","","","0.71073","MoKα","","0.0129","0.0128","","","0.0379","0.038","","","","","","1.117","","","","has coordinates","263353","2021-03-26","09:31:53",""
"1561350","9.98301","0.00032","10.6367","0.00032","7.82665","0.00022","90","","90","","90","","831.08","0.04","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C H10 B9 Na -","- C H10 B9 Na -","- C4 H40 B36 Na4 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Tarver, Jacob D.; Stavila, Vitalie; Brown, Craig M.; Udovic, Terrence J.","The low-temperature structural behavior of sodium 1-carba-closo-decaborate: NaCB9H10","Journal of Solid State Chemistry","2016","243","","162","167","10.1016/j.jssc.2016.08.024","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.08624","","3.79","","","","","","","has coordinates","263430","2021-03-30","08:02:29",""
"1561439","17.5681","0.0015","9.664","0.0009","16.0081","0.0014","90","","90","","90","","2717.8","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H36 N4 O5 Zn -","- C26 H28 N4 O5 Zn -","- C104 H112 N16 O20 Zn4 -","4","1","","He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni","Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains","Journal of Solid State Chemistry","2016","239","","113","120","10.1016/j.jssc.2016.04.022","","","0.71073","MoKα","","0.1037","0.0657","","","0.165","0.1906","","","","","","1.033","","","","has coordinates","263531","2021-04-01","09:45:37",""
"1561459","14.1804","0.0002","10.4935","0.0001","7.1722","0.0008","90","","90","","90","","1067.24","0.12","298","","298","","","","","","","","","6","P n a 21","P 2c -2n","33","VO[Fe(CN)5NO]2H2O","","","- C5 H4 Fe N6 O4 V -","- C5 Fe N6 O4 V -","- C20 Fe4 N24 O16 V4 -","4","1","","Gil, D.M.; Osiry, H.; Pomiro, F.; Varetti, E.L.; Carbonio, R.E.; Alejandro, R.R.; Ben Altabef, A.; Reguera, E.","Layered vanadyl (IV) nitroprusside: Magnetic interaction through a network of hydrogen bonds","Journal of Solid State Chemistry","2016","239","","159","164","10.1016/j.jssc.2016.04.025","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","9.641","1.532","","","","","","","has coordinates","263548","2021-04-02","09:03:08",""
"1561587","9.8601","0.0004","9.0281","0.0004","16.8983","0.0006","90","","90","","90","","1504.25","0.1","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H20 -","- C21 H20 -","- C84 H80 -","4","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0619","0.049","","","0.1159","0.122","","","","","","1.054","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1561610","7.052","0.006","22.093","0.018","11.769","0.01","90","","90","","90","","1834","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H12 Ag N4 Nd O10 -","- C18 H12 Ag N4 Nd O10 -","- C72 H48 Ag4 N16 Nd4 O40 -","4","1","","Jin, Jing; Chen, Chong; Gao, Yan; Zhao, Ran; Wang, Xiuyan; Lü, Chunxin; Chi, Yuxian; Niu, Shuyun","Synthesis, structure, and luminescence property of a series of Ag‒Ln coordination polymers with the N-heterocyclic carboxylato ligand","Journal of Solid State Chemistry","2016","235","","193","201","10.1016/j.jssc.2016.01.001","","","0.71073","MoKα","","0.0974","0.0709","","","0.1724","0.1852","","","","","","1.075","","","","has coordinates","264011","2021-04-09","08:26:27",""
"1562113","5.56175","0.00001","7.14749","0.00001","5.46875","0.00001","90","","90","","90","","217.397","0.0006","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ag Ga O2 -","- Ag Ga O2 -","- Ag4 Ga4 O8 -","4","1","","Nagatani, Hiraku; Suzuki, Issei; Kita, Masao; Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami; Omata, Takahisa","Structure of β-AgGaO2; ternary I‒III‒VI2 oxide semiconductor with a wurtzite-derived structure","Journal of Solid State Chemistry","2015","222","","66","70","10.1016/j.jssc.2014.11.012","","","0.65273","synchrotronradiation","","","","","","","","","","","","","","","","","has coordinates","264545","2021-04-26","09:43:24",""
"1562338","9.7494","0.0018","9.693","0.002","21.815","0.004","90","","90","","90","","2061.5","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H Cu N O -","- C3.53846 H2.76923 Cu0.153846 N0.769231 O0.615385 -","- C92 H72 Cu4 N20 O16 -","26","6.5","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.1118","0.0654","","","0.1539","0.1915","","","","","","1","","","","has coordinates","264727","2021-04-30","09:41:28",""
"1562364","18.351","0.004","17.574","0.004","4.5721","0.0009","90","","90","","90","","1474.5","0.5","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","SUDA, Shintaro; ONAMI, Yuika; HARAGUCHI, Tomoyuki; AKITSU, Takashiro","Orthorhombic Polymorphism of 4-(2-Phenyldiazenyl)-2-[(phenylimino)methyl]phenol","X-ray Structure Analysis Online","2021","37","0","17","18","10.2116/xraystruct.37.17","","","0.71073","MoKα","","0.0882","0.0757","","","0.2283","0.2379","","","","","","1.079","","","","has coordinates","264971","2021-05-05","09:12:01",""
"1562396","11.74087","0.00005","32.1637","0.00014","9.77293","0.00005","90","","90","","90","","3690.55","0.03","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","2","","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","","0.026","0.0256","","","0.0675","0.0681","","","","","","1.032","","","","has coordinates","265012","2021-05-07","01:25:33",""
"1562399","23.0669","0.0004","22.8536","0.0004","15.375","0.0004","90","","90","","90","","8105.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C87.33 H78.66 B4 Cl6.66 N8 -","- C87.33 H78.66 B4 Cl6.66 N8 -","- C349.32 H314.64 B16 Cl26.64 N32 -","4","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","","0.0724","0.0605","","","0.1554","0.1723","","","","","","1.063","","","","has coordinates,has disorder","265012","2021-05-07","01:25:33",""
"1562636","8.4321","0.0014","15.064","0.003","15.064","0.003","90","","90","","90","","1913.4","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H16 N4 O7 Zn -","- C21 H14 N4 O7 Zn -","- C84 H56 N16 O28 Zn4 -","4","1","","Chen, Zhi-Hao; Zhao, Yue; Chen, Shui-Sheng; Wang, Peng; Sun, Wei-Yin","Synthesis and characterization of d10 metal complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate ligands","Journal of Solid State Chemistry","2013","202","","215","226","10.1016/j.jssc.2013.03.042","","","0.71073","MoKα","","0.0315","0.0306","","","0.0787","0.0794","","","","","","1.033","","","","has coordinates","265297","2021-05-18","08:05:14",""
"1562714","21.868","0.0013","17.7441","0.001","16.8275","0.001","90","","90","","90","","6529.5","0.7","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C40 H30 Cu4 N10 O40 Si W12 -","- C40 H30 Cu4 N10 O40 Si W12 -","- C160 H120 Cu16 N40 O160 Si4 W48 -","4","1","","Chi, Ying-Nan; Cui, Feng-Yun; Lin, Zheng-Guo; Xu, Yan; Ma, Xiao-Yu; Shen, Pan-Pan; Huang, Kun-Lin; Hu, Chang-Wen","Assembly of Cu/Ag-quinoxaline-polyoxotungstate hybrids: Influence of Keggin and Wells‒Dawson polyanions on the structure","Journal of Solid State Chemistry","2013","199","","230","239","10.1016/j.jssc.2012.12.032","","","0.71073","MoKα","","0.0631","0.0548","","","0.129","0.1333","","","","","","1.067","","","","has coordinates","265369","2021-05-20","09:04:10",""
"1562791","8.7785","0.0012","9.1297","0.0012","5.2799","0.0007","90","","90","","90","","423.16","0.1","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- H3 Li O5 S -","- H3 Li O5 S -","- H12 Li4 O20 S4 -","4","1","","Banerjee, Debasis; Plonka, Anna M.; Kim, Sun Jin; Xu, Wenqian; Parise, John B.","Synthesis, structural characterization and high pressure phase transitions of monolithium hydronium sulfate","Journal of Solid State Chemistry","2013","197","","181","185","10.1016/j.jssc.2012.08.061","","","0.71073","MoKα","","0.0487","0.0441","","","0.1168","0.1206","","","","","","1.098","","","","has coordinates","265415","2021-05-21","08:48:21",""
"1562845","10.545","0.002","11.2","0.002","7.8651","0.0016","90","","90","","90","","928.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H9 Cl N2 Ni O4 -","- C6 H6 Cl N2 Ni O4 -","- C24 H24 Cl4 N8 Ni4 O16 -","4","1","","Yang, Qian; Zhao, Jiong-Peng; Liu, Zhong-Yi","Single crystal to single crystal transition in (10, 3)-d framework with pyrazine-2-carboxylate ligand: Synthesis, structures and magnetism","Journal of Solid State Chemistry","2012","196","","52","57","10.1016/j.jssc.2012.07.050","","","0.71073","MoKα","","0.0595","0.0495","","","0.1144","0.1202","","","","","","1.053","","","","has coordinates","265482","2021-05-25","09:22:05",""
"1562846","10.63","0.002","11.543","0.002","7.1897","0.0016","90","","90","","90","","882.2","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H7 Cl N2 Ni O4 -","- C5 H7 Cl N2 Ni O4 -","- C20 H28 Cl4 N8 Ni4 O16 -","4","1","","Yang, Qian; Zhao, Jiong-Peng; Liu, Zhong-Yi","Single crystal to single crystal transition in (10, 3)-d framework with pyrazine-2-carboxylate ligand: Synthesis, structures and magnetism","Journal of Solid State Chemistry","2012","196","","52","57","10.1016/j.jssc.2012.07.050","","","0.71073","MoKα","","0.0649","0.0514","","","0.1037","0.1105","","","","","","1.025","","","","has coordinates","265482","2021-05-25","09:22:08",""
"1563175","6.832","0.0003","18.2051","0.0008","13.6361","0.0005","90","","90","","90","","1696.02","0.12","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H20 Cl2 N2 Ru -","- C17 H20 Cl2 N2 Ru -","- C68 H80 Cl8 N8 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S.","Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole","Inorganics","2021","9","5","34","","10.3390/inorganics9050034","","","0.71073","MoKα","","0.0207","0.0193","","","0.0401","0.0406","","","","","","1.073","","","","has coordinates","266196","2021-06-06","02:15:31",""
"1563214","17.842","0.002","6.9317","0.0008","27.55","0.003","90","","90","","90","","3407.3","0.7","298","2","571","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Na10 O41 S9 Th2 -","- Na10 O41 S9 Th2 -","- Na40 O164 S36 Th8 -","4","1","","Albrecht, Amanda J.; Sigmon, Ginger E.; Moore-Shay, Laura; Wei, Rebecca; Dawes, Colleen; Szymanowski, Jennifer; Burns, Peter C.","The crystal chemistry of four thorium sulfates","Journal of Solid State Chemistry","2011","184","7","1591","1597","10.1016/j.jssc.2011.04.024","","","0.71073","MoKα","","0.0873","0.0518","","","0.1017","0.1162","","","","","","1.018","","","","has coordinates","266258","2021-06-08","08:23:10",""
"1563277","17.457","0.0017","9.6129","0.001","14.4613","0.0014","90","","90","","90","","2426.8","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 Cd I3 N3 O8 -","- C18 H18 Cd I3 N3 O8 -","- C72 H72 Cd4 I12 N12 O32 -","4","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Yuan, Li-Min; Deng, Ye; Diao, Guo-Wang; Ng, Seik Weng","Synthesis, crystal structures and characterization of four coordination polymers based on 5-amino-2,4,6-triiodoisophthalic acid","Journal of Solid State Chemistry","2011","184","5","1263","1272","10.1016/j.jssc.2011.03.050","","","0.71073","MoKα","","0.0698","0.044","","","0.0797","0.0899","","","","","","1.049","","","","has coordinates","266349","2021-06-10","07:28:45",""
"1563524","22.258","0.015","11.154","0.009","10.409","0.009","90","","90","","90","","2584","4","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","[Ag(L3)](ClO4)-MeOH","","- C25 H25 Ag Cl N3 O8 -","- C25 H25 Ag Cl N3 O8 -","- C100 H100 Ag4 Cl4 N12 O32 -","4","1","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, structures and properties of silver(I) complexes with flexible 1,3,5-tris(pyridylmethoxyl)benzene ligands","Journal of Solid State Chemistry","2010","183","9","2174","2182","10.1016/j.jssc.2010.07.036","","","0.71075","MoKα","","0.065","0.0351","","","0.0636","0.066","","","","","","1","","","","has coordinates","266490","2021-06-16","09:13:19",""
"1563526","7.0461","0.0011","26.607","0.004","16.224","0.002","90","","90","","90","","3041.6","0.8","200","","200","","","","","","","","","7","P n a 21","P 2c -2n","33","","[Ag(L3)]PF6-2(CH3CN)","","- C28 H27 Ag F6 N5 O3 P -","- C28 H27 Ag F6 N5 O3 P -","- C112 H108 Ag4 F24 N20 O12 P4 -","4","1","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, structures and properties of silver(I) complexes with flexible 1,3,5-tris(pyridylmethoxyl)benzene ligands","Journal of Solid State Chemistry","2010","183","9","2174","2182","10.1016/j.jssc.2010.07.036","","","0.71075","MoKα","","0.0807","0.0422","","","0.0481","0.0516","","","","","","0.89","","","","has coordinates","266490","2021-06-16","09:13:33",""
"1563602","15.116","0.003","24.653","0.005","18.153","0.004","90","","90","","90","","6765","2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H51 N Ni P2 -","- C36 H51 N Ni P2 -","- C288 H408 N8 Ni8 P16 -","8","2","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0606","0.04","","","0.0806","0.0879","","","","","","0.999","","","","has coordinates","266584","2021-06-20","00:49:57",""
"1563618","18.955","0.003","9.7543","0.0014","17.833","0.003","90","","90","","90","","3297.2","0.9","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H24 N4 O13 P4 Sn4 -","- C24 H24 N4 O13 P4 Sn4 -","- C96 H96 N16 O52 P16 Sn16 -","4","1","","Perry, Houston; Zoń, Jerzy; Law, Justin; Clearfield, Abraham","Structural variations of SnII pyridylphosphonates influenced by an uncommon Sn‒N interaction","Journal of Solid State Chemistry","2010","183","5","1165","1173","10.1016/j.jssc.2010.03.016","","","0.71073","MoKα","","0.0423","0.03","","","0.0625","0.0692","","","","","","1.07","","","","has coordinates","266591","2021-06-21","07:37:09",""
"1563691","23.69","0.002","12.7455","0.0011","23.188","0.002","90","","90","","90","","7001.4","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H84 Al N2 O4 P -","- C51 H84 Al N2 O4 P -","- C204 H336 Al4 N8 O16 P4 -","4","1","","Ge, Fang; Li, Sun; Wang, Zhe; Zhang, Wenzhong; Wang, Xiaowu","Controlled and efficient polymerization of methyl methacrylate catalyzed by pyridinylidenaminophosphine based Lewis pairs","Polymer Chemistry","2021","12","29","4226","4234","10.1039/D1PY00579K","","","0.71073","MoKα","","0.1243","0.0583","","","0.0889","0.0942","","","","","","1.068","","","","has coordinates","268961","2021-09-06","12:39:47",""
"1563703","7.60873","0.00004","6.016846","0.000024","8.93188","0.00004","90","","90","","90","","408.906","0.003","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","Cerium thioborate","","- B Ce S3 -","- B Ce S3 -","- B4 Ce4 S12 -","4","1","","Hunger, Jens; Borna, Marija; Kniep, Rüdiger","Synthesis and crystal structure of the isotypic rare earth thioborates Ce[BS3], Pr[BS3], and Nd[BS3]","Journal of Solid State Chemistry","2010","183","3","702","706","10.1016/j.jssc.2010.01.002","powder diffraction","x-ray","1.54056","CuKalpha1","","","","","","","","0.05116","","0.92","","","","","","","has coordinates","266682","2021-06-25","09:48:17",""
"1563704","7.486917","0.00003","6.005507","0.000019","8.85815","0.00003","90","","90","","90","","398.287","0.002","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","Neodymium thioborate","","- B Nd S3 -","- B Nd S3 -","- B4 Nd4 S12 -","4","1","","Hunger, Jens; Borna, Marija; Kniep, Rüdiger","Synthesis and crystal structure of the isotypic rare earth thioborates Ce[BS3], Pr[BS3], and Nd[BS3]","Journal of Solid State Chemistry","2010","183","3","702","706","10.1016/j.jssc.2010.01.002","powder diffraction","x-ray","1.54056","CuKalpha1","","","","","","","","0.05595","","0.77","","","","","","","has coordinates","266682","2021-06-25","09:48:27",""
"1563705","7.5596","0.00005","6.006731","0.000032","8.89435","0.00005","90","","90","","90","","403.879","0.004","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","Praseodymium thioborate","","- B Pr S3 -","- B Pr S3 -","- B4 Pr4 S12 -","4","1","","Hunger, Jens; Borna, Marija; Kniep, Rüdiger","Synthesis and crystal structure of the isotypic rare earth thioborates Ce[BS3], Pr[BS3], and Nd[BS3]","Journal of Solid State Chemistry","2010","183","3","702","706","10.1016/j.jssc.2010.01.002","powder diffraction","x-ray","1.54056","CuKalpha1","","","","","","","","0.09825","","1.25","","","","","","","has coordinates","266682","2021-06-25","09:48:29",""
"1563846","14.3314","0.0014","14.7603","0.0014","12.1194","0.0012","90","","90","","90","","2563.7","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H24 N6 O4 -","- C30 H24 N6 O4 -","- C120 H96 N24 O16 -","4","1","","Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue","Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands","Inorganica Chimica Acta","2018","483","","252","257","10.1016/j.ica.2018.08.020","","","0.71073","MoKα","","0.0612","0.0439","","","0.1014","0.1088","","","","","","1.004","","","","has coordinates","266864","2021-07-01","08:51:43",""
"1563903","33.83","0.004","28.509","0.003","19.234","0.002","90","","90","","90","","18550","4","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C180 H150 Au13 Cl5 N20 -","- C180 H150 Au13 Cl5 N20 -","- C720 H600 Au52 Cl20 N80 -","4","1","","Yi, Hong; Crudden, Cathleen; Nambo, Masakazu; Aramaki, Yoshitaka; Veinot, Alex J.; Ooi, Takashi; Levchenko, Tetyana I.; Osten, Kimberly M.","Synthesis and enantioseparation of chiral Au13 nanoclusters protected by bis-N-heterocyclic carbene ligands","Chemical Science","2021","","","","","10.1039/D1SC03076K","","","0.71075","MoKα","","0.0864","0.0488","","","0.0965","0.1193","","","","","","1.095","","","","has coordinates","266919","2021-07-03","01:08:17",""
"1563996","11.901","0.002","17.67","0.004","10.903","0.002","90","","90","","90","","2292.8","0.8","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H22 Cl2 N2 Ni O7 -","- C20 H22 Cl2 N2 Ni O7 -","- C80 H88 Cl8 N8 Ni4 O28 -","4","1","","Golbedaghi, Reza; Fausto, Rui; Salehzadeh, Sadegh; Tofani, Manijeh; Safaraabadi, Soraya","Macrocyclic mononuclear Ni(II) and macroacyclic tetranuclear Cu(II) complexes: Dimerization of binuclear Cu(II) complexes with help of perchlorate anions","Inorganica Chimica Acta","2018","480","","27","32","10.1016/j.ica.2018.05.005","","","0.71073","MoKα","","0.175","0.076","","","0.1027","0.1243","","","","","","0.895","","","","has coordinates,has disorder","267321","2021-07-07","07:58:17",""
"1564214","23.8478","0.0016","9.7286","0.0008","15.1467","0.0011","90","","90","","90","","3514.1","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 Mo N2 O6 -","- C16 H16 Mo N2 O6 -","- C128 H128 Mo8 N16 O48 -","8","2","","Balapoor, Leila; Bikas, Rahman; Dargahi, Maryam","Catalytic oxidation of benzyl-alcohol with H2O2 in the presence of a dioxidomolybdenum(VI) complex","Inorganica Chimica Acta","2020","510","","119734","","10.1016/j.ica.2020.119734","","","1.54178","CuKα","","0.095","0.0821","","","0.2329","0.2519","","","","","","1.073","","","","has coordinates","267640","2021-07-19","09:16:40",""
"1564380","22.4917","0.0005","10.2847","0.0002","12.0025","0.0003","90","","90","","90","","2776.42","0.11","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H26 F3 Mn N5 O5 S -","- C26 H26 F3 Mn N5 O5 S -","- C104 H104 F12 Mn4 N20 O20 S4 -","4","1","","Opalade, Adedamola A.; Parham, Josh D.; Day, Victor W.; Jackson, Timothy A.","Characterization and Chemical Reactivity of Room-Temperature-Stable MnIII-alkylperoxo Complexes","Chemical Science","2021","","","","","10.1039/D1SC01976G","","","1.54178","CuKα","","0.0452","0.042","","","0.0987","0.1006","","","","","","1.007","","","","has coordinates","268162","2021-08-21","22:11:49",""
"1564382","22.7367","0.0009","10.226","0.0004","11.5888","0.0004","90","","90","","90","","2694.46","0.18","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H25 F3 Mn N5 O5 S -","- C26 H25 F3 Mn N5 O5 S -","- C104 H100 F12 Mn4 N20 O20 S4 -","4","1","","Opalade, Adedamola A.; Parham, Josh D.; Day, Victor W.; Jackson, Timothy A.","Characterization and Chemical Reactivity of Room-Temperature-Stable MnIII-alkylperoxo Complexes","Chemical Science","2021","","","","","10.1039/D1SC01976G","","","1.54178","CuKα","","0.0659","0.0603","","","0.1696","0.1757","","","","","","1.162","","","","has coordinates","268162","2021-08-21","22:11:50",""
"1564404","16.4515","0.0014","23.893","0.002","13.0584","0.0011","90","","90","","90","","5132.9","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H28 N4 O20 Pb4 -","- C52 H28 N4 O20 Pb4 -","- C208 H112 N16 O80 Pb16 -","4","1","","Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang","The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers","Inorganica Chimica Acta","2020","510","","119751","","10.1016/j.ica.2020.119751","","","0.71073","MoKα","","0.0392","0.0345","","","0.0729","0.0748","","","","","","1.041","","","","has coordinates","268233","2021-08-26","07:31:42",""
"1564430","7.7997","0.0016","10.537","0.002","27.732","0.005","90","","90","","90","","2279.2","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 Ca N10 O6 -","- C18 H20 Ca N10 O6 -","- C72 H80 Ca4 N40 O24 -","4","1","","Shen, Lei; Chen, Jianjiao; Zou, Zhenyuan; Ke, Zhen; Wei, Bo; Yang, Jie; Zou, Dengfeng","Synthesis and anticancer property of three new Ca (II) compounds derived from tetrazole carboxylate ligands","Inorganica Chimica Acta","2020","509","","119659","","10.1016/j.ica.2020.119659","","","0.71073","MoKα","","0.0957","0.084","","","0.2461","0.2526","","","","","","1.84","","","","has coordinates","268284","2021-08-30","07:58:12",""
"1564476","13.3741","0.0014","28.778","0.002","8.0083","0.0007","90","","90","","90","","3082.2","0.5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12.2 H0 In2.8 N3.8 S2 Se6 Sn1.2 -","- C12.2 In2.8 N3.8 S2 Se6 Sn1.2 -","- C48.8 In11.2 N15.2 S8 Se24 Sn4.8 -","4","1","","Yu, Ji-Ming; Cai, Ting; Ma, Zhong-Jie; Wang, Fei; Wang, Huan; Yu, Ji-Peng; Xiao, Lu-Lu; Cheng, Fang-Fang; Xiong, Wei-Wei","Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides","Inorganica Chimica Acta","2020","509","","119698","","10.1016/j.ica.2020.119698","","","0.71073","MoKα","","0.1656","0.0813","","","0.1383","0.1734","","","","","","1.039","","","","has coordinates","268319","2021-08-31","08:41:42",""
"1564524","23.8557","0.0017","12.6391","0.0011","6.8918","0.0006","90","","90","","90","","2078","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H24 B10 S -","- C19 H24 B10 S -","- C76 H96 B40 S4 -","4","1","","Yang, Long; Jei, Becky Bongsuiru; Scheremetjew, Alexej; Yuan, Binbin; Stückl, A Claudia; Ackermann, Lutz","Electrooxidative o-Carborane Chalcogenations Without Directing Groups: Cage Activation by Copper Catalysis at Room Temperature","Chemical Science","2021","","","","","10.1039/D1SC02905C","","","0.71073","MoKα","","0.0262","0.0254","","","0.0696","0.0703","","","","","","1.095","","","","has coordinates","268356","2021-09-01","22:18:46",""
"1564550","9.1724","0.0014","17.714","0.004","4.444","0.0009","90","","90","","90","","722.1","0.2","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C7 H6 Cl2 -","- C7 H6 Cl2 -","- C28 H24 Cl8 -","4","1","","Aitken, R. Alan; Slawin, Alexandra M. Z.","4-Chlorobenzyl Chloride","Molbank","2021","2021","3","M1265","","10.3390/M1265","","","0.71073","MoKα","","0.1195","0.0734","","","0.1874","0.2261","","","","","","0.983","","","","has coordinates","268995","2021-09-07","03:32:23",""
"1564699","7.3641","0.0005","12.7617","0.0008","22.6074","0.0014","90","","90","","90","","2124.6","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H4 Cs4 O10 S4 -","- C10 Cs4 O10 S4 -","- C40 Cs16 O40 S16 -","4","1","","Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav","Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks","Chemical Science","2021","","","","","10.1039/D1SC04338B","","","0.71073","MoKα","","0.068","0.0443","","","0.0895","0.105","","","","","","1.088","","","","has coordinates","269221","2021-09-20","22:16:18",""
"1564853","13.297","0.008","5.033","0.003","13.789","0.009","90","","90","","90","","922.8","1","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H11 Br O2 -","- C9 H11 Br O2 -","- C36 H44 Br4 O8 -","4","1","","Aitken, R. Alan; Saab, Elizabeth A.; Slawin, Alexandra M. Z.","2,6-Dimethoxybenzyl Bromide","Molbank","2021","2021","3","M1277","","10.3390/M1277","","","0.71075","MoKα","","0.0281","0.0269","","","0.0654","0.0658","","","","","","1.084","","","","has coordinates","269817","2021-10-07","04:41:56",""
"1565075","35.8606","0.0014","4.5496","0.0001","6.1929","0.0003","90","","90","","90","","1010.38","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H13 Br N O2 -","- C9 H12 Br N O2 -","- C36 H48 Br4 N4 O8 -","4","1","","Feng, Shangwei; Huang, Qiuqin; Yang, Shuming; Lin, Zhenghuan; Ling, Qidan","A metal-free 2D layered organic ammonium halide framework realizing full-color persistent room-temperature phosphorescence","Chemical Science","2021","","","","","10.1039/D1SC04806F","","","0.71","MoKα","","0.0677","0.0512","","","0.1359","0.1516","","","","","","1.122","","","","has coordinates","270111","2021-10-28","22:38:11",""
"1565142","22.885","0.005","8.4172","0.0017","9.374","0.003","90","","90","","90","","1805.7","0.8","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Struwe, Julia; Ma, Chanchan; Zhu, Gangguo; Liao, Xinyi; Xu, Min; Ackermann, Lutz","Dibenzocycloheptanones construction through a removable P-centered radical: Synthesis of allocolchicine analogues","Chemical Science","2021","","","","","10.1039/D1SC05404J","","","0.71073","MoKα","","0.0379","0.0333","","","0.0898","0.0942","","","","","","1.014","","","","has coordinates","270545","2021-11-09","23:13:51",""
"1565143","17.46","0.03","13.75","0.02","23.42","0.06","90","","90","","90","","5623","19","150","2","150.02","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H28 N2 O5 -","- C36 H28 N2 O5 -","- C288 H224 N16 O40 -","8","2","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","0.71073","MoKα","","0.1261","0.0619","","","0.1254","0.1575","","","","","","1.021","","","","has coordinates","270546","2021-11-09","23:16:57",""
"1565264","7.6825","0.0008","13.3272","0.0013","18.012","0.002","90","","90","","90","","1844.2","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","Organic","","","- C19 H16 N6 O4 -","- C19 H16 N6 O4 -","- C76 H64 N24 O16 -","4","1","","Rajamanickam, Suresh; Saraswat, Mayank; Venkataramani, Sugumar; Patel, Bhisma K.","Intermolecular CDC amination of remote and proximal unactivated Csp3–H bonds through intrinsic substrate reactivity – expanding towards a traceless directing group","Chemical Science","2021","","","","","10.1039/D1SC04365J","","","0.71073","MoKα","","0.0965","0.0455","","","0.0916","0.1088","","","","","","1.024","","","","has coordinates","270701","2021-11-16","23:19:31",""
"1565304","7.6525","0.0002","15.2519","0.0004","10.5906","0.0003","90","","90","","90","","1236.08","0.06","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","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","","0.0349","0.0341","","","0.0908","0.0917","","","","","","1.044","","","","has coordinates","270726","2021-11-17","09:42:51",""
"1565360","14.874","0.003","33.097","0.007","9.015","0.0018","90","","90","","90","","4437.9","1.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H50 Au2 Cl2 N2 O2 P2 -","- C40 H34 Au2 Cl2 N2 P2 -","- C160 H136 Au8 Cl8 N8 P8 -","4","1","","Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita","Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units","Inorganica Chimica Acta","2020","503","","119380","","10.1016/j.ica.2019.119380","","","1.54178","CuKα","","0.0311","0.0307","","","0.0803","0.0813","","","","","","0.967","","","","has coordinates","270831","2021-11-23","10:08:54",""
"1565407","23.603","0.002","6.0263","0.0007","10.4104","0.0012","90","","90","","90","","1480.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","N,N-dimethyl-1-(naphthalen-2-yl)-1-phenylethan-1-amine","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Chen, Jiahua; Lim, Jun Wei; Ong, Derek Yiren; Chiba, Shunsuke","Iterative addition of carbon nucleophiles to <i>N</i>,<i>N</i>-dialkyl carboxamides for synthesis of α-tertiary amines.","Chemical science","2021","13","1","99","104","10.1039/d1sc05876b","","","1.54178","CuKα","","0.0465","0.0453","","","0.1222","0.1237","","","","","","1.043","","","","has coordinates","272566","2022-02-04","19:08:39",""
"1565465","19.651","0.0016","10.2987","0.0008","8.2925","0.0006","90","","90","","90","","1678.2","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H25 I N2 Si Zn -","- C9 H25 I N2 Si Zn -","- C36 H100 I4 N8 Si4 Zn4 -","4","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","","0.0493","0.0392","","","0.0881","0.0938","","","","","","1.028","","","","has coordinates,has disorder","270946","2021-11-30","23:12:00",""
"1565475","28.021","0.006","24.455","0.005","13.015","0.003","90","","90","","90","","8919","3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H65 Eu N2 O6 -","- C43 H65 Eu N2 O6 -","- C344 H520 Eu8 N16 O48 -","8","2","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.80248","synchrotron","","0.0486","0.0463","","","0.1203","0.1219","","","","","","1.097","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565476","28.065","0.002","24.46","0.002","13.0005","0.0011","90","","90","","90","","8924.5","1.2","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H65 Gd N2 O6 -","- C43 H65 Gd N2 O6 -","- C344 H520 Gd8 N16 O48 -","8","2","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.71073","MoKα","","0.1669","0.082","","","0.1327","0.1643","","","","","","1.007","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565477","28.015","0.003","24.423","0.003","12.9837","0.0014","90","","90","","90","","8883.6","1.7","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H65 N2 O6 Tb -","- C43 H65 N2 O6 Tb -","- C344 H520 N16 O48 Tb8 -","8","2","","Zhuravlev, Konstantin P.; Tsaryuk, Vera I.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kudryashova, Valentina A.; Klemenkova, Zinaida S.","Structural peculiarities and luminescence of europium dipivaloylmethanates with 2,2′-bipyridine derivatives. Polymorphism of [Eu(DPM)3Bpy]","Inorganica Chimica Acta","2020","502","","119294","","10.1016/j.ica.2019.119294","","","0.71073","MoKα","","0.1153","0.0776","","","0.1052","0.1155","","","","","","1.014","","","","has coordinates,has disorder","270976","2021-12-02","08:39:47",""
"1565548","17.455","0.013","6.801","0.005","14.857","0.011","90","","90","","90","","1764","2","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","mer-CrCl3(3-Me-pzH)3","","- C12 H18 Cl3 Cr N6 -","- C12 H18 Cl3 Cr N6 -","- C48 H72 Cl12 Cr4 N24 -","4","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.036","0.0273","","","0.0598","0.0639","","","","","","1.026","","","","has coordinates","271126","2021-12-06","08:59:53",""
"1565651","28.2935","0.0017","16.0983","0.001","9.4738","0.0005","90","","90","","90","","4315.1","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Cu(2,5-pydc)(L)(ClO4)(H2O)","","","- C35 H51 Cl2 Cu2 N11 O13 -","- C35 H51 Cl2 Cu2 N11 O13 -","- C140 H204 Cl8 Cu8 N44 O52 -","4","1","","Louka, Febee R.; Haq, Sabriah J.; Guidry, Hollie R.; Williams, Bailey R.; Henary, Maher M.; Fischer, Roland C.; Torvisco, Ana; Massoud, Salah S.; Mautner, Franz A.","Polynuclear and coordination polymers of copper(II) complexes assembled by flexible polyamines and bridging rigid N-heterocyclic multicarboxylates","Inorganica Chimica Acta","2020","500","","119240","","10.1016/j.ica.2019.119240","","","0.71073","MoKα","","0.0664","0.0438","","","0.0887","0.0975","","","","","","1.022","","","","has coordinates,has disorder","271323","2021-12-10","08:55:48",""
"1565673","14.289","0.004","8.933","0.002","28.022","0.007","90","","90","","90","","3576.8","1.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cl2 Mn N3 O2 -","- C16 H21 Cl2 Mn N3 O2 -","- C128 H168 Cl16 Mn8 N24 O16 -","8","2","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.045","0.0404","","","0.1025","0.1052","","","","","","1.097","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565682","10.536","0.002","19.632","0.004","13.927","0.003","90","","90","","90","","2880.7","1","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H35 Cl Cu N4 O5 -","- C27 H35 Cl Cu N4 O5 -","- C108 H140 Cl4 Cu4 N16 O20 -","4","1","","Albobaledi, Zeinab; Hasanzadeh Esfahani, Maryam; Behzad, Mahdi; Abbasi, Alireza","Mixed ligand Cu(II) complexes of an unsymmetrical Schiff base ligand and N-donor heterocyclic co-ligands: Investigation of the effect of co-ligand on the antibacterial properties","Inorganica Chimica Acta","2020","499","","119185","","10.1016/j.ica.2019.119185","","x-ray","0.71073","MoKα","","0.0533","0.0498","","","0.1302","0.1336","","","","","","1.089","","","","has coordinates","271355","2021-12-13","09:26:13",""
"1566096","11.9864","0.0016","16.941","0.002","18.04","0.002","90","","90","","90","","3663.2","0.8","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H38 B N7 O4 S Zn -","- C39 H38 B N7 O4 S Zn -","- C156 H152 B4 N28 O16 S4 Zn4 -","4","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~","0.0681","0.0431","","","0.1068","0.1278","","","","","","0.76","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566151","16.6843","0.0011","10.1022","0.0008","17.8126","0.001","90","","90","","90","","3002.3","0.4","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H49 B Br N3 -","- C29 H49 B Br N3 -","- C116 H196 B4 Br4 N12 -","4","1","","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","","0.0412","0.0365","","","0.094","0.1008","","","","","","1.055","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566152","16.7035","0.001","10.08","0.0006","17.6907","0.0007","90","","90","","90","","2978.6","0.3","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H49 B Cl N3 -","- C29 H49 B Cl N3 -","- C116 H196 B4 Cl4 N12 -","4","1","","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","","0.0746","0.0594","","","0.1394","0.1488","","","","","","1.028","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566269","12.3592","0.0013","14.4324","0.0014","6.7939","0.0007","90","","90","","90","","1211.8","0.2","446","2","446","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ba K2 P2 S6 -","- Ba K2 P2 S6 -","- Ba4 K8 P8 S24 -","4","1","","Nguyen, Vivian; Ji, Bingheng; Wu, Kui; Zhang, Bingbing; Wang, Jian","Unprecedented Mid-Infrared Nonlinear Optical Materials Achieved by Crystal Structure Engineering, a Case Study of (KX)P2S6(X=Sb, Bi, Ba)","Chemical Science","2022","","","","","10.1039/D1SC06849K","","","0.71073","MoKα","","0.0561","0.0373","","","0.0807","0.0874","","","","","","1.071","","","","has coordinates","272433","2022-02-02","23:10:01",""
"1566320","14.6146","0.0012","15.4871","0.0008","5.3576","0.0003","90","","90","","90","","1212.63","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H5 Cl N2 O2 S3 -","- C10 H5 Cl N2 O2 S3 -","- C40 H20 Cl4 N8 O8 S12 -","4","1","","Plakas, Konstantinos; Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","Reaction of 4,5-Dichloro-1,2,3-dithiazolium Chloride with 2-(Phenylsulfonyl)acetonitrile","Molbank","2022","2022","1","M1322","","10.3390/M1322","","","1.54184","CuKα","","0.0524","0.0431","","","0.1073","0.1141","","","","","","1.211","","","","has coordinates","272805","2022-02-05","17:06:56",""
"1566621","14.5444","0.0007","19.8328","0.001","11.0256","0.0006","90","","90","","90","","3180.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C36.96 H31.91 B0.95 F2.87 I0.05 P2 Se0.95 -","- C36.9562 H31.9124 B0.9562 F2.8686 I0.0438 P2 Se0.9562 -","- C147.825 H127.65 B3.8248 F11.4744 I0.1752 P8 Se3.8248 -","4","1","","Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S.","Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity","Chemical Science","2022","","","","","10.1039/D1SC04277G","","","0.71073","MoKα","","0.0545","0.0401","","","0.0744","0.0788","","","","","","1.071","","","","has coordinates,has disorder","273743","2022-03-16","23:16:27",""
"1566666","12.912","0.0013","10.1397","0.001","15.597","0.0016","90","","90","","90","","2042","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H27 B O3 -","- C23 H27 B O3 -","- C92 H108 B4 O12 -","4","1","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic Mimicry of Formaldehyde-Induced DNA–Protein Crosslinks in the Confined Space of Metal–Organic Framework","Chemical Science","2022","","","","","10.1039/D2SC00188H","","","0.71073","MoKα","","0.0446","0.0375","","","0.0905","0.0945","","","","","","1.05","","","","has coordinates","273876","2022-03-21","23:12:24",""
"1566669","9.3374","0.0001","6.0661","0.0001","28.5106","0.0004","90","","90","","90","","1614.89","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H22 O2 S -","- C18 H22 O2 S -","- C72 H88 O8 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0326","0.0313","","","0.0791","0.0807","","","","","","1.043","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1566678","12.912","0.0013","10.1397","0.001","15.597","0.0016","90","","90","","90","","2042","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H27 B O3 -","- C23 H27 B O3 -","- C92 H108 B4 O12 -","4","1","","wu, Fu-Peng; Wu, Xiao-Feng","Catalyst-Controlled Selective Borocarbonylation of Benzylidenecyclopropanes: Regiodivergent Synthesis of γ-Vinylboryl Ketones and β-Cyclopropylboryl Ketones","Chemical Science","2022","","","","","10.1039/D2SC00840H","","","0.71073","MoKα","","0.0446","0.0375","","","0.0905","0.0945","","","","","","1.05","","","","has coordinates","273878","2022-03-21","23:15:38",""
"1566754","29.3957","0.0012","27.2297","0.0011","40.625","0.003","90","","90","","90","","32518","3","150","0.1","150","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C268 H233 F60 N8 O76 Rh8 S20 -","- C248 H233 N8 O16 Rh8 -","- C992 H932 N32 O64 Rh32 -","4","1","","Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin","Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies","Chemical Science","2022","","","","","10.1039/D2SC00437B","","x-ray","1.54178","CuKα","","0.2019","0.0973","","","0.1601","0.2025","","","","","","1.016","","","","has coordinates","274361","2022-04-05","22:25:34",""
"1566911","11.2347","0.0001","17.2771","0.0001","7.8356","0.0001","90","","90","","90","","1520.91","0.03","150.01","0.1","150.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H12 As Co O2 -","- C18 H12 As Co O2 -","- C72 H48 As4 Co4 O8 -","4","1","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","","1.54184","CuKα","","0.0401","0.0386","","","0.0925","0.0936","","","","","","1.075","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1566978","35.2188","0.0004","15.3914","0.00016","12.77462","0.00011","90","","90","","90","","6924.7","0.12","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C71 H92 Cr Mg2 N4 O6 -","- C71 H92 Cr Mg2 N4 O6 -","- C284 H368 Cr4 Mg8 N16 O24 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.0427","0.0376","","","0.0931","0.0978","","","","","","1.025","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566979","35.3464","0.0008","15.4039","0.0003","12.869","0.0003","90","","90","","90","","7006.8","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C71 H92 Mg2 N4 O6 W -","- C71 H91 Mg2 N4 O6 W -","- C284 H364 Mg8 N16 O24 W4 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.057","0.0427","","","0.1045","0.1166","","","","","","1.023","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1567001","8.5885","0.0003","7.5236","0.0002","9.3685","0.0004","90","","90","","90","","605.36","0.04","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H4 K Li O5 -","- C3 H4 K Li O5 -","- C12 H16 K4 Li4 O20 -","4","1","","Cao, Liling; Tian, Haotian; Lin, Donghong; Lin, Chensheng; Xu, Feng; Han, Yinglei; Yan, Tao; Chen, Jindong; Li, Bing-Xuan; Ye, Ning; Luo, Min","Flexible Functional Module Regulate Ultraviolet Optical Nonlinearity Achieving a Balance between Second-harmonic Generation Response and Birefringence","Chemical Science","2022","","","","","10.1039/D2SC01910H","","","0.71073","MoKα","","0.024","0.024","","","0.0655","0.0655","","","","","","1.094","","","","has coordinates","275584","2022-05-20","22:20:34",""
"1567228","6.603","0.001","6.785","0.001","8.836","0.002","90","","90","","90","","395.86","0.12","","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","Tallium dihydrogenphosphate(III)","Tallium phosphite","","- H2 O3 P Tl -","- H2 O3 P Tl -","- H8 O12 P4 Tl4 -","4","1","","Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.","Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3","Russian Journal of Coordination Chemistry","2001","27","7","458","462","10.1023/A:1011377229855","","x-ray","","MoKα","","","0.035","","","","0.153","","","","","","","","","","has coordinates","276570","2022-07-05","20:52:05",""
"1567242","13.424","0.002","16.38","0.003","41.151","0.007","90","","90","","90","","9048","3","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","(TPP)[Al(azpCl2)2]","","","- C48 H32 Al Cl4 N4 O4 P -","- C48 H32 Al Cl4 N4 O4 P -","- C384 H256 Al8 Cl32 N32 O32 P8 -","8","2","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.0746","0.046","","","0.0871","0.0961","","","","","","1.008","","","","has coordinates","276686","2022-07-06","20:19:09",""
"1567278","10.4486","0.0003","8.0259","0.0002","41.6406","0.0012","90","","90","","90","","3491.96","0.17","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C35 H52 O10 -","- C35 H52 O10 -","- C140 H208 O40 -","4","1","","Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide","Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones","Chemical Science","2022","","","","","10.1039/D2SC03083G","","x-ray","1.54184","CuKα","","0.1381","0.1315","","","0.4029","0.412","","","","","","1.083","","","","has coordinates","276798","2022-07-22","22:42:01",""
"1567285","15.194","0.003","11.576","0.002","8.9945","0.0018","90","","90","","90","","1582","0.5","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H23 N5 -","- C16 H23 N5 -","- C64 H92 N20 -","4","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","","0.0428","0.0387","","","0.0956","0.0994","","","","","","1.083","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567527","11.5971","0.0006","17.179","0.001","5.9922","0.0003","90","","90","","90","","1193.81","0.11","194","2","194","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 Br N -","- C14 H12 Br N -","- C56 H48 Br4 N4 -","4","1","","Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V.","Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA)","Chemical Science","2022","","","","","10.1039/D2SC03418B","","x-ray","1.54184","CuKα","","0.0389","0.0342","","","0.0787","0.0822","","","","","","1.07","","","","has coordinates","277414","2022-08-26","22:37:54",""
"1567530","11.6527","0.0006","16.617","0.0008","5.9865","0.0004","90","","90","","90","","1159.18","0.11","190","2","190","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C56 H48 Cl4 N4 -","4","1","","Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V.","Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA)","Chemical Science","2022","","","","","10.1039/D2SC03418B","","x-ray","1.54184","CuKα","","0.0599","0.0497","","","0.1205","0.1298","","","","","","1.05","","","","has coordinates","277414","2022-08-26","22:37:54",""
"1567584","20.9197","0.0002","14.8105","0.0002","21.4828","0.0002","90","","90","","90","","6656.04","0.13","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69 H63 F18 N8 P3 -","- C69 H57 F18 N8 P3 -","- C276 H228 F72 N32 P12 -","4","1","","La Cognata, Sonia; Armentano, Donatella; Marchesi, Nicoletta; Grisoli, Pietro; Pascale, Alessia; Kieffer, Marion; Taglietti, Angelo; Davis, Anthony P.; Amendola, Valeria","A Benzimidazolium-Based Organic Cage with Antimicrobial Activity","Chemistry","2022","4","3","855","864","10.3390/chemistry4030061","","","0.6889","Synchrotron","","0.2046","0.1627","","","0.4143","0.4433","","","","","","1.475","","","","has coordinates,has disorder","277683","2022-09-06","15:32:47",""
"1567815","27.5528","0.0014","8.4292","0.0005","22.0477","0.0012","90","","90","","90","","5120.5","0.5","297","2","297","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H68 F6 N8 O6 S2 -","- C42 H68 F6 N8 O6 S2 -","- C168 H272 F24 N32 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1046","0.0741","","","0.2041","0.2258","","","","","","1.026","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567944","14.1132","0.0001","19.7985","0.0002","5.9243","0.0001","90","","90","","90","","1655.37","0.03","99.97","0.1","99.97","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Hernandez, Jackson; Frontier, Alison","Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC04750K","","x-ray","1.54184","CuKα","","0.0319","0.0312","","","0.0777","0.0783","","","","","","1.048","","","","has coordinates","279213","2022-11-10","23:12:21",""
"1568015","23.4928","0.0003","11.58031","0.00015","13.76598","0.00019","90","","90","","90","","3745.09","0.09","220.02","0.1","220.02","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H38 Cl3 P2 Re -","- C42 H38 Cl3 P2 Re -","- C168 H152 Cl12 P8 Re4 -","4","1","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0394","0.0357","","","0.0952","0.0996","","","","","","1.002","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568053","37.0378","0.0004","11.7708","0.0001","20.1996","0.0003","90","","90","","90","","8806.31","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","[Zr(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Zr -","- C31 H69 Si8 Zr -","- C248 H552 Si64 Zr8 -","8","2","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0425","0.0398","","","0.1029","0.1045","","","","","","1.045","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568074","34.3683","0.0007","28.4432","0.0005","5.4447","0.0001","90","","90","","90","","5322.44","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C66 H58 F16 S8 -","- C48 H16 F16 S8 -","- C192 H64 F64 S32 -","4","1","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","synchrotron","","0.0777","0.0612","","","0.1794","0.1926","","","","","","1.03","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568128","18.6378","0.0006","9.1309","0.0003","10.6136","0.0003","90","","90","","90","","1806.22","0.1","303","","303","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd Rb2 S10 Si4 -","- Cd Rb2 S10 Si4 -","- Cd4 Rb8 S40 Si16 -","4","1","","Zhou, Jiazheng; Fan, Zhongxu; Zhang, Kewang; Yang, Zhihua; Pan, Shilie; Li, Junjie","Rb<sub>2</sub>CdSi<sub>4</sub>S<sub>10</sub>: novel [Si<sub>4</sub>S<sub>10</sub>] T2-supertetrahedra-contained infrared nonlinear optical material with large band gap.","Materials horizons","2023","10","2","619","624","10.1039/d2mh01200f","","","0.71073","MoKα","","0.0331","0.0265","","","0.0564","0.0638","","","","","","0.9","","","","has coordinates","281620","2023-03-04","18:50:21",""
"1568377","32.1117","0.0004","12.4315","0.0002","10.0614","0.0001","90","","90","","90","","4016.48","0.09","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H33 Cl5 Fe O2 P2 Pd -","- C45 H33 Cl5 Fe O2 P2 Pd -","- C180 H132 Cl20 Fe4 O8 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0303","0.0276","","","0.0549","0.0558","","","","","","1.066","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568550","50.1288","0.0008","10.1911","0.0002","18.7459","0.0004","90","","90","","90","","9576.7","0.3","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H32 N O2 P S -","- C41 H32 N O2 P S -","- C492 H384 N12 O24 P12 S12 -","12","3","","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","","0.0967","0.0845","","","0.2096","0.2178","","","","","","1.142","","","","has coordinates,has disorder","281227","2023-03-02","07:55:37",""
"1568641","16.0552","0.0008","10.9392","0.0005","6.204","0.0003","90","","90","","90","","1089.61","0.09","122.98","0.1","122.98","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H15 P S -","- C11 H15 P S -","- C44 H60 P4 S4 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0539","0.0514","","","0.1439","0.1467","","","","","","1.108","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568705","19.3515","0.0014","10.4522","0.0008","11.307","0.0009","90","","90","","90","","2287","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H18 Cl4 N4 Ni O2 -","- C21 H18 Cl4 N4 Ni O2 -","- C84 H72 Cl16 N16 Ni4 O8 -","4","1","","Bansal, Sadhna; Gonnade, Rajesh G.; Punji, Benudhar","Chemodivergent coupling of azoarenes with benzyl alcohols via a borrowing hydrogen strategy using a well-defined nickel catalyst","Catalysis Science & Technology","2023","13","9","2705","2713","10.1039/D3CY00090G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0575","0.061","","","","","","1.071","","","","has coordinates","284161","2023-06-05","03:21:05",""
"1568823","9.1799","0.0001","6.9065","0.0001","20.6965","0.0002","90","","90","","90","","1312.18","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N S -","- C17 H13 N S -","- C68 H52 N4 S4 -","4","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.0331","0.0317","","","0.0836","0.0855","","","","","","1.054","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1568906","11.153","0.003","9.171","0.003","18.019","0.006","90","","90","","90","","1843.1","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","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","","0.056","0.0449","","","0.1027","0.1086","","","","","","1.007","","","","has coordinates","284211","2023-06-05","03:55:19",""
"1568907","11.2274","0.0013","9.2607","0.0012","18.166","0.002","90","","90","","90","","1888.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","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","","0.1081","0.0581","","","0.1381","0.1653","","","","","","1.038","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1569107","9.6342","0.0006","21.7612","0.0013","9.6649","0.0006","90","","90","","90","","2026.3","0.2","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","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","","","1.54178","CuKα","","0.0297","0.0297","","","0.0776","0.0776","","","","","","1.072","","","","has coordinates","284911","2023-07-05","09:56:02",""
"1569346","15.4147","0.0005","10.4118","0.0004","12.7924","0.0004","90","","90","","90","","2053.11","0.12","298.37","0.1","298.37","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C92 H100 N4 O12 S4 -","4","1","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1463","0.153","","","","","","1.015","","","","has coordinates","286033","2023-09-05","19:06:57",""
"1569467","13.9073","0.0006","15.0023","0.0006","12.4269","0.0006","90","","90","","90","","2592.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca H22 O30 U6 -","- Ca H22 O30 U6 -","- Ca4 H88 O120 U24 -","4","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","","0.0452","0.0352","","","0.0762","0.0801","","","","","","1.051","","","","has coordinates","285026","2023-07-06","04:59:03",""
"1569468","13.8517","0.0005","14.9553","0.0006","12.3753","0.0005","90","","90","","90","","2563.62","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca H22 O30 U6 -","- Ca H22 O30 U6 -","- Ca4 H88 O120 U24 -","4","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","","0.055","0.0392","","","0.0762","0.0803","","","","","","1.058","","","","has coordinates","285027","2023-07-06","04:59:43",""
"1569486","21.2891","0.0004","8.1032","0.0001","36.4586","0.0007","90","","90","","90","","6289.47","0.19","173","0.1","173","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H32 F4 O8 -","- C36 H32 F4 O8 -","- C288 H256 F32 O64 -","8","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.078","0.0731","","","0.1888","0.1945","","","","","","1.06","","","","has coordinates,has disorder","286068","2023-09-05","19:20:47",""
"1569824","8.9617","0.0001","5.8243","0.0001","32.1685","0.0005","90","","90","","90","","1679.06","0.04","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H9 F4 I2 N O2 S -","- C13 H9 F4 I2 N O2 S -","- C52 H36 F16 I8 N4 O8 S4 -","4","1","","Heinen, Tobias; Merzenich, Sarah; Kwill, Angelina; Vasylyeva, Vera","Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?","Molecules (Basel, Switzerland)","2023","28","15","5910","","10.3390/molecules28155910","","","1.54184","CuKα","","0.0335","0.0328","","","0.0871","0.0876","","","","","","1.085","","","","has coordinates","286241","2023-09-06","14:01:35",""
"1569881","21.2877","0.0005","9.84","0.0002","27.3069","0.0006","90","","90","","90","","5720","0.2","123","","123","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H70 N4 O4 Rh2 -","- C72 H70 N4 O4 Rh2 -","- C288 H280 N16 O16 Rh8 -","4","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","","0.0728","0.057","","","0.1241","0.1341","","","","","","1.029","","","","has coordinates","287311","2023-11-06","06:57:03",""
"1569912","15.5976","0.0013","17.2486","0.0014","19.3869","0.0016","90","","90","","90","","5215.8","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C60 H80 Li2 O7 -","- C60 H80 Li2 O7 -","- C240 H320 Li8 O28 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0581","0.0502","","","0.1397","0.1425","","","","","","1.081","","","","has coordinates,has disorder","288757","2024-01-06","07:28:11",""
"1569993","30.6739","0.0012","9.6686","0.0004","24.285","0.0009","90","","90","","90","","7202.3","0.5","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H32 N2 O4 S2 -","- C42 H32 N2 O4 S2 -","- C336 H256 N16 O32 S16 -","8","2","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0433","0.0358","","","0.0841","0.088","","","","","","1.032","","","","has coordinates","286553","2023-09-27","02:10:27",""
"1570133","20.38188","0.00012","10.2892","0.00005","21.05443","0.00011","90","","90","","90","","4415.39","0.04","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H23 N O4 -","- C29 H23 N O4 -","- C232 H184 N8 O32 -","8","2","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0302","0.0297","","","0.0761","0.0766","","","","","","1.067","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570144","11.6629","0.0009","8.3625","0.0007","19.7736","0.0018","90","","90","","90","","1928.5","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H24 B2 N6 -","- C20 H24 B2 N6 -","- C80 H96 B8 N24 -","4","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.6889","synchrotron","","0.0692","0.054","","","0.1396","0.1483","","","","","","0.983","","","","has coordinates","288727","2024-01-06","07:17:13",""
"1570160","29.2415","0.0018","7.5874","0.0005","6.0208","0.0004","90","","90","","90","","1335.82","0.15","110","","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3-Difluoro-5-(4-phenoxyphenyl)dihydrofuran-2(3H)-one","","- C16 H12 F2 O3 -","- C16 H12 F2 O3 -","- C64 H48 F8 O12 -","4","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0374","0.0334","","","0.0804","0.082","","","","","","1.051","","","","has coordinates","288765","2024-01-06","07:38:23",""
"1570161","31.826","0.003","5.2173","0.0004","8.1338","0.0007","90","","90","","90","","1350.6","0.2","110","","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","DS-393","","- C16 H16 F2 O3 -","- C16 H16 F2 O3 -","- C64 H64 F8 O12 -","4","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0392","0.039","","","0.1057","0.1058","","","","","","1.139","","","","has coordinates","288765","2024-01-06","07:38:23",""
"1570252","27.2079","0.0009","6.0833","0.0002","7.5732","0.0002","90","","90","","90","","1253.47","0.07","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H9 Ag N2 O S -","- C13 H9 Ag N2 O S -","- C52 H36 Ag4 N8 O4 S4 -","4","1","","Altowyan, Mezna Saleh; Fathalla, Eman M.; Albering, Jörg H.; Abu-Youssef, Morsy A. M.; Kassem, Taher S.; Barakat, Assem; Haukka, Matti; Badr, Ahmed M. A.; Soliman, Saied M.","Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers","Inorganics","2023","11","10","417","","10.3390/inorganics11100417","","","0.71073","MoKα","","0.0244","0.0228","","","0.058","0.0589","","","","","","0.971","","","","has coordinates","287438","2023-11-06","19:07:54",""
"1570269","12.1965","0.0008","13.6691","0.001","7.7077","0.0007","90","","90","","90","","1284.99","0.17","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cd5P2Br4","","","- Br4 Cd5 P2 -","- Br4 Cd5 P2 -","- Br16 Cd20 P8 -","4","1","","Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>].","Chemical science","2023","14","46","13568","13573","10.1039/d3sc04818g","","","0.71073","MoKα","","0.0479","0.0451","","","0.132","0.1338","","","","","","0.999","","","","has coordinates","288739","2024-01-06","07:21:44",""
"1570474","11.7418","0.0001","34.0977","0.0004","8.4778","0.0001","90","","90","","90","","3394.24","0.06","170.01","0.1","170.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H20 O9 -","- C17 H20 O9 -","- C136 H160 O72 -","8","2","","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","1.54184","CuKα","","0.0377","0.0366","","","0.1007","0.1018","","","","","","1.027","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570601","14.7648","0.0005","11.9997","0.0005","9.965","0.0005","90","","90","","90","","1765.53","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H21 B Cl I O2 -","- C15 H21 B Cl I O2 -","- C60 H84 B4 Cl4 I4 O8 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","0.71073","MoKα","","0.0284","0.0237","","","0.0432","0.0448","","","","","","1.055","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570728","35.387","0.003","8.3595","0.0008","8.5792","0.0008","90","","90","","90","","2537.9","0.4","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-[bis[4-(trifluoromethyl)benzylammonium] bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C16 H16 F6 Ge I4 N2 -","- C16 H16 F6 Ge I4 N2 -","- C64 H64 F24 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0903","0.0582","","","0.1351","0.152","","","","","","1.025","","","","has coordinates","288963","2024-01-09","19:17:35",""
"1570729","11.9349","0.0011","6.0242","0.0006","34.381","0.003","90","","90","","90","","2471.9","0.4","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-[bis(2-(4-chlorophenyl)ethan-1-aminium) bis(m-iodo)-bis(iodo)-germanium(ii)]'","","- C16 H22 Cl2 Ge I4 N2 -","- C16 H22 Cl2 Ge I4 N2 -","- C64 H88 Cl8 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0739","0.0392","","","0.0667","0.0767","","","","","","1.005","","","","has coordinates,has disorder","288964","2024-01-09","19:17:46",""
"1570792","12.718","0.0005","8.3994","0.0003","5.375","0.0002","90","","90","","90","","574.18","0.04","281.7","0.2","281.7","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Lu Na O6 Se2 -","- Lu Na O6 Se2 -","- Lu4 Na4 O24 Se8 -","4","1","","Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","A UV non-hydrogen pure selenite nonlinear optical material for achieving balanced properties through framework-optimized structural transformation.","Materials horizons","2024","11","7","1704","1709","10.1039/d3mh01790g","","x-ray","0.71073","MoKα","","0.0214","0.02","","","0.0416","0.0419","","","","","","1","","","","has coordinates","291073","2024-04-05","00:19:10",""
"1570803","15.7172","0.0003","5.2891","0.0001","31.0413","0.0007","90","","90","","90","","2580.46","0.09","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H11 N S -","- C18 H11 N S -","- C144 H88 N8 S8 -","8","2","","Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y.","Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells.","Chemical science","2024","15","8","2778","2785","10.1039/d3sc05485c","","","1.54178","CuKα","","0.0574","0.0509","","","0.1378","0.1458","","","","","","1.066","","","","has coordinates","290115","2024-03-04","19:59:16",""
"1570831","19.7303","0.0009","11.5097","0.0005","37.3911","0.0018","90","","90","","90","","8491.1","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H69 B Dy N7 O1.5 -","- C42 H69 B Dy N7 O1.5 -","- C336 H552 B8 Dy8 N56 O12 -","8","2","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0371","0.0316","","","0.0645","0.0669","","","","","","1.04","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570914","20.9682","0.001","25.3489","0.0011","18.1699","0.0008","90","","90","","90","","9657.7","0.8","165","2","165","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C100.5 H104 Cu3 N8 O20.5 -","- C100.5 H98 Cu3 N8 O20.5 -","- C402 H392 Cu12 N32 O82 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0664","0.0526","","","0.1408","0.1503","","","","","","1.026","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570915","22.0739","0.0018","24.3392","0.0018","17.9481","0.0015","90","","90","","90","","9642.8","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C101 H101 Cu3 N9 O19 -","- C101 H99 Cu3 N9 O19 -","- C404 H396 Cu12 N36 O76 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1364","0.0571","","","0.1019","0.1244","","","","","","1.002","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570918","8.2312","0.0019","16.306","0.003","12.099","0.003","90","","90","","90","","1623.9","0.6","100","1","100","1","","","","","","","","3","P n a 21","P 2c -2n","33","Bat-intermediate-down","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","1","","Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In","Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.","Molecules (Basel, Switzerland)","2024","29","2","513","","10.3390/molecules29020513","","","0.71073","MoKa","","0.0552","0.0492","","","0.1038","0.1065","","","","","","1.087","","","","has coordinates","289672","2024-02-05","05:10:49",""
"1570942","27.5274","0.0003","9.9406","0.0001","27.6836","0.0003","90","","90","","90","","7575.31","0.14","278","2","278","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C352 H368 N16 O64 -","16","4","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0361","0.0336","","","0.089","0.0911","","","","","","1.016","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1571076","30.4484","0.0002","15.1788","0.0001","14.0258","0.0001","90","","90","","90","","6482.31","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C71 H93 N5 O2 P2 -","- C71 H93 N5 O2 P2 -","- C284 H372 N20 O8 P8 -","4","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0341","0.0331","","","0.0888","0.0895","","","","","","1.034","","","","has coordinates","291575","2024-05-05","01:51:24",""
"1571090","26.172","0.003","3.9741","0.0004","11.4267","0.0011","90","","90","","90","","1188.5","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 N4 O4 -","- C12 H10 N4 O4 -","- C48 H40 N16 O16 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.1295","0.071","","","0.152","0.1769","","","","","","1.063","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571191","14.7865","0.0005","10.4516","0.0003","13.5026","0.0003","90","","90","","90","","2086.73","0.1","99.96","0.18","99.96","0.18","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H34 Co N O P -","- C22 H34 Co N O P -","- C88 H136 Co4 N4 O4 P4 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","0.71073","MoKα","","0.0596","0.0531","","","0.1122","0.1171","","","","","","1.064","","","","has coordinates","290875","2024-04-04","23:02:12",""
"1571223","30.09","0.006","10.04","0.002","27.93","0.006","90","","90","","90","","8438","3","371.6","0.2","371.6","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.1085","0.047","","","0.128","0.1622","","","","","","0.979","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571224","29.872","0.006","9.931","0.002","27.754","0.006","90","","90","","90","","8233","3","271.59","0.02","270.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0711","0.0456","","","0.1157","0.1505","","","","","","1.082","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571225","29.62","0.006","9.84","0.002","27.53","0.006","90","","90","","90","","8024","3","99.96","0.02","99.96","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0813","0.0513","","","0.1227","0.1427","","","","","","1.029","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571227","30","0.006","9.98","0.002","27.84","0.006","90","","90","","90","","8335","3","330","0.2","330","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0696","0.0404","","","0.1105","0.128","","","","","","1.008","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571229","29.67","0.006","9.86","0.002","27.58","0.006","90","","90","","90","","8068","3","150.12","0.02","150.12","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0828","0.0482","","","0.1119","0.1289","","","","","","1.016","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571230","29.76","0.006","9.89","0.002","27.66","0.006","90","","90","","90","","8141","3","201.34","0.02","201.34","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0793","0.0478","","","0.1146","0.133","","","","","","1.011","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571473","15.4716","0.0008","10.1507","0.0008","27.2357","0.0019","90","","90","","90","","4277.3","0.5","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C54 H38 N2 O10 -","- C54 H38 N2 O10 -","- C216 H152 N8 O40 -","4","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","","","","","10.1039/D4SC00745J","","x-ray","1.54184","CuKα","","0.0792","0.0706","","","0.1815","0.1946","","","","","","1.04","","","","has coordinates","291318","2024-04-22","22:20:00",""
"1571577","17.8916","0.0006","16.8787","0.0006","13.6585","0.0005","90","","90","","90","","4124.7","0.3","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C208 H200 O8 -","4","1","","Liu, Yu; Coles, Nathan Thomas; Cajiao, Nathalia; Taylor, Laurence John; Davies, Edward Stephen; Barbour, Alistair; Morgan, Patrick; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah Lorraine","Mechanistic investigations of the Fe(II) mediated synthesis of squaraines","Chemical Science","2024","","","","","10.1039/D4SC01286K","","x-ray","1.54184","CuKα","","0.0556","0.0487","","","0.1285","0.1348","","","","","","1.034","","","","has coordinates","291757","2024-05-07","22:17:15",""
"2000010","27.668","0.007","5.2391","0.0012","10.4134","0.0015","90","","90","","90","","1509.48","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Retoux, R.; Molenkamp, J.; Bonfand, E.; Gosselin, P.; Maignan, C.","(RS)-4-p-Toluenesulfinylcyclohexa-1,4-dienecarboxylic Acid Ethyl Ester","Acta Crystallographica, Section C: Crystal Structure Communications","1996","52","9","2290","2292","10.1107/s0108270196005744","","","","","","","0.042","","","0.042","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000077","11.898","0.002","18.641","0.002","8.468","0.003","90","","90","","90","","1878.12","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H6 N O3 V -","- C H6 N O3.25 V1.25 -","- C16 H96 N16 O52 V20 -","16","4","","Averbuch-Pouchot, M.-T.; Durif, A.","Synthesis and crystal-structure of methyl ammonium polyvanadate CH~3~NH~3~VO~3~","Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie","1994","318","1","1067","1072","","","","","","","","0.028","","","0.028","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000134","10.54","0.001","10.05","0.003","14.37","0.003","90","","90","","90","","1522.17","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H17 N2 O12 P3 Zn2 -","- C6 N2 O16 P3 Zn6 -","- C24 N8 O64 P12 Zn24 -","4","1","","Ahmadi, K.; Hardy, A.; Patarin, A.; Huve, L.","Synthesis and structure of Zn~2~(HPO~4~)~3~ · H~2~N~2~C~6~H~12~","European Journal of Solid State and Inorganic Chemistry","1995","32","3","209","223","","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","182181","2020-10-21","18:00:00",""
"2000150","8.966","0.002","14.552","0.005","13.085","0.004","90","","90","","90","","1707.2","0.9","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C19 H15 N S Sn -","- C19 H15 N S Sn -","- C76 H60 N4 S4 Sn4 -","4","1","AS0502","Khoo, L. E.; Chen, X.-M.; Mak, T. C. W.","Structure of a new form of triphenyltin(IV) isothiocyanate","Acta Crystallographica Section C","1991","47","12","2647","2649","10.1107/S0108270191007710","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000220","11.467","0.001","8.756","0.001","11.9339","0.0008","90","","90","","90","","1198.22","0.19","","","","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C48 H44 N12 O24 -","4","1","CR0315","Ammon, H. L.; Paquette, L. A.","Structure of 1,5,9-trinitrobishomopentaprismane","Acta Crystallographica Section C","1991","47","10","2159","2164","10.1107/S0108270191003803","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000266","18.195","0.008","9.436","0.003","11.316","0.005","90","","90","","90","","1942.8","1.4","","","","","","","","","","","","6","P n a 21","","","","","","- C11 H23 Co Na O9 P3 -","- C11 H23 Co Na O9 P3 -","- C44 H92 Co4 Na4 O36 P12 -","4","1","MU0208","Kläui, W.; Matt, D.; Balegroune, F.; Grandjean, D.","Structure of an organometallic polymer, [Na{(η^5^-C~5~H~5~)Co[P(O)(OMe)~2~]~3~}]~<i>n~</i>","Acta Crystallographica Section C","1991","47","8","1614","1617","10.1107/S010827019100152X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000390","7.4946","0.001","13.437","0.002","10.863","0.0008","90","","90","","90","","1094","0.2","","","","","","","","","","","","3","P n a 21","","","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","ST0581","Prince, P.; Fronczek, F. R.; Gandour, R. D.","1-Acetyl-7-methoxy-2-naphthol","Acta Crystallographica Section C","1992","48","12","2225","2227","10.1107/S0108270192003287","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000453","7.983","0.003","18.028","0.002","11.668","0.001","90","","90","","90","","1679.2","0.7","","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C17 H20 Cl N3 O S -","- C17 H20 Cl N3 O S -","- C68 H80 Cl4 N12 O4 S4 -","4","1","HU1001","Christiansen, J.; Clark, G. R.; Denny, W. A.; Palmer, B. D.","Structure of <i>N</i>-(2-dimethylaminoethyl)phenothiazine-1-carboxamide hydrochloride","Acta Crystallographica Section C","1992","48","11","2004","2007","10.1107/S0108270192003330","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000496","22.046","0.006","6.226","0.001","8.48","0.003","90","","90","","90","","1164","0.6","294","","","","","","","","","","","4","P n a 21","","","","","","- C4 H12 P2 S4 -","- C4 H12 P2 S4 -","- C16 H48 P8 S16 -","4","1","AB1019","Gallacher, A. C.; Pinkerton, A. A.","Structures of bis(dialkylthiophosphoryl) disulfides, [<i>R</i>~2~P(S)]~2~S~2~, <i>R</i> = Me, ^<i>i^</i>Pr, and the question of P-S π bonding","Acta Crystallographica Section C","1992","48","11","2085","2088","10.1107/S0108270192008333","","","0.71073","MoKα","","","0.042","","","0.041","","","","","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000545","23.867","0.002","9.492","0.001","11.615","0.0006","90","","90","","90","","2631.3","0.4","","","","","","","","","","","","4","P n a 21","","","","","","- C29 H31 N3 O5 -","- C29 H31 N3 O5 -","- C116 H124 N12 O20 -","4","1","PA0267","Theobald, F.; Rodier, N.; Moustaid, K.; Laude, B.","Structure of ethyl 8,9-dimethoxy-3-(4-methoxyphenyl)-10b-methyl-1-phenyl-4,5,6,10b-tetrahydro-1,2,4-triazolo[3,4-<i>a</i>]isoquinoline-5-carboxylate","Acta Crystallographica Section C","1992","48","10","1846","1848","10.1107/S0108270192001161","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000699","21.654","0.003","10.581","0.001","16.82","0.001","90","","90","","90","","3853.8","0.7","","","","","","","","","","","","5","P n a 21","","","","","","- C44 H45 Ir O P2 -","- C44 H45 Ir O P2 -","- C176 H180 Ir4 O4 P8 -","4","1","BR0014","Janik, T. S.; Churchill, M. R.; See, R. F.; Randall, S. L.; McFarland, J. M.; Atwood, J. D.","Structure of <i>trans</i>-carbonylmethylbis(tri-<i>p</i>-tolylphosphine)iridium(I), <i>trans</i>-[Ir(CO)(CH~3~){P(<i>p</i>-C~6~H~4~CH~3~)~3~}~2~]","Acta Crystallographica Section C","1992","48","8","1493","1495","10.1107/S0108270191014890","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000833","11.313","0.001","19.187","0.001","9.6363","0.0009","90","","90","","90","","2091.7","0.3","","","","","","","","","","","","4","P n a 21","","","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","AS0533","Ogawa, K.; Yoshimura, S.; Takeuchi, Y.; Katritzky, A.; Murugan, R.","Structure of 1,3,5-tribenzoylperhydro-1,3,5-triazine","Acta Crystallographica Section C","1992","48","6","1071","1074","10.1107/S0108270191013008","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000901","6.57","0.002","19.031","0.004","7.949","0.002","90","","90","","90","","993.9","0.4","","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","GE0281","Giuseppetti, G.; Tadini, C.; Bettinetti, G. P.","Structures of sobrerol enantiomers and racemates. II. (±)-<i>trans</i>-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol (racemic <i>trans</i>-sobrerol)","Acta Crystallographica Section C","1992","48","5","876","878","10.1107/S0108270191011150","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001000","12.791","0.002","13.097","0.002","7.439","0.0009","90","","90","","90","","1246.2","0.3","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C9 H18 I N O2 -","- C8 H14 I N O2 -","- C32 H56 I4 N4 O8 -","4","1","AB0199","Frydenvang, K.; Jensen, B.","Structures of muscarone iodide and muscarone picrate","Acta Crystallographica Section C","1992","48","3","469","474","10.1107/S0108270191006169","","","0.71073","Mo","","","","","","","","","","","","","","","","warnings","has coordinates","249442","2020-10-21","18:00:00",""
"2001019","8.758","0.005","16.795","0.006","5.646","0.004","90","","90","","90","","830.5","0.8","","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C9 H7 N3 -","- C9 H7 N3 -","- C36 H28 N12 -","4","1","CR0366","Robinson, P. D.; Bausch, M. J.; Jirka, G. P.","Structure of 2-(4-aminophenyl)-1,3-propanedinitrile","Acta Crystallographica Section C","1992","48","3","554","556","10.1107/S0108270191010880","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001043","40.8","0.01","10.882","0.005","10.966","0.005","90","","90","","90","","4869","3","","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C6 H18 Cl2 Co N2 O2 -","- C6 H18 Cl2 Co N2 O2 -","- C96 H288 Cl32 Co16 N32 O32 -","16","4","MU0274","Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc","Acta Crystallographica Section C","1992","48","2","274","279","10.1107/S0108270191010223","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2001050","8.0056","0.0005","12.714","0.0006","6.6861","0.0009","90","","90","","90","","680.53","0.11","","","","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C24 H32 N8 O8 -","4","1","HE0025","Peters, D. A.; Beddoes, R. L.; Joule, J. A.","Structures of 3-methoxypyrazine 1-oxide (1<i>a</i>) and 3-methoxy-5-methylpyrazine 1-oxide (1<i>b</i>)","Acta Crystallographica Section C","1992","48","2","307","311","10.1107/S0108270191008624","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001110","13.978","0.01","9.638","0.008","6.338","0.011","90","","90","","90","","853.9","1.8","","","","","","","","","","","","4","P n a 21","","","","","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C24 H40 N16 O16 -","4","1","MU0225","Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N.","Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate","Acta Crystallographica Section C","1992","48","1","145","147","10.1107/S010827019100820X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","191091","2020-10-21","18:00:00",""
"2001156","17.628","0.004","10.168","0.001","6.496","0.001","90","","90","","90","","1164.4","0.3","294","1","293","","","","","","","","","6","P n a 21","P 2c -2n","33","CuBAMP","(2,6-diaminomethylpyridine)Cu(II)Chloride Perchorlate","","- C7 H11 Cl2 Cu N3 O4 -","- C7 H11 Cl2 Cu N3 O4 -","- C28 H44 Cl8 Cu4 N12 O16 -","4","1","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.032","0.032","","0.049","0.049","","","","","0.86","0.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001190","10.6819","0.0009","9.964","0.001","16.2694","0.0009","90","","90","","90","","1731.6","0.2","296","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C20 H22 O3 -","- C23 H13 O3 -","- C92 H52 O12 -","4","1","HL1029","Kagawa, H.; Sagawa, M.; Kakuta, A.","3-(4-<i>tert</i>-Butylphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-propen-1-one: an SHG active β-diketone","Acta Crystallographica Section C","1993","49","12","2181","2183","10.1107/S0108270193005906","","","1.54178","CuKα","","","0.048","","","0.064","","","","","1.59","1.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001212","15.96","0.001","12.447","0.001","17.044","0.001","90","","90","","90","","3385.9","0.4","293","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C30 H33 B N6 O3 V -","- C32 H36 B N7 O3 V -","- C128 H144 B4 N28 O12 V4 -","4","1","AL1033","Beddoes, R. L.; Eardley, D. R.; Mabbs, F. E.; Moorcroft, D.; Passand, M. A.","Isostructural mixed ligand complexes of [VO]^2+^ and [InCl]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands","Acta Crystallographica Section C","1993","49","11","1923","1926","10.1107/S0108270193004949","","","0.71069","MoKα","","","0.074","","","0.084","","","","","1.07","1.07","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2001276","20.704","0.016","10.287","0.006","16.982","0.008","90","","90","","90","","3617","4","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C41 H39 Cl Cu P3 -","- C41 H39 Cl Cu P3 -","- C164 H156 Cl4 Cu4 P12 -","4","1","HH1044","Fife, D. J.; Mueh, H. J.; Campana, C. F.","Structure of chloro[1,1,1-tris(diphenylphosphinomethyl)ethane]copper(I)","Acta Crystallographica Section C","1993","49","10","1714","1716","10.1107/S0108270193006584","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001278","11.137","0.001","17.361","0.002","5.5641","0.0004","90","","90","","90","","1075.82","0.18","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C10 H8 Br N O3 -","- C10 H8 Br N O3 -","- C40 H32 Br4 N4 O12 -","4","1","AS1011","Ha, H.-J.; Park, K. P.; Jeong, J. H.","Structure of (<i>E</i>)-3-bromo-4-nitro-4-phenyl-3-buten-2-one","Acta Crystallographica Section C","1993","49","10","1720","1721","10.1107/S0108270193003956","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001420","14.6703","0.0008","9.4136","0.0005","13.4665","0.0008","90","","90","","90","","1859.73","0.18","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C12 H16 Cu I2 N8 -","- C12 H16 Cu I2 N8 -","- C48 H64 Cu4 I8 N32 -","4","1","HH1017","Ballester, J.; Parker, O. J.; Breneman, G. L.","Structure of tetrakis(imidazole)copper(II) diiodide","Acta Crystallographica Section C","1993","49","8","1421","1424","10.1107/S0108270193004329","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001499","10.978","0.001","9.628","0.001","15.53","0.002","90","","90","","90","","1641.5","0.3","153","1","153","1","","","","","","","","5","P n a 21","P 2c -2n","33","","Aminotriphenylphosphonium bromide","","- C18 H17 Br N P -","- C18 H17 Br N P -","- C72 H68 Br4 N4 P4 -","4","1","SH1034","Pohl, E.; Gosink, H. J.; Herbst-Irmer, R.; Noltemeyer, M.; Roesky, H. W.; Sheldrick, G. M.","Structures of amino(triphenyl)phosphonium bromide and amino(triphenyl)phosphonium hexachloroantimonate","Acta Crystallographica Section C","1993","49","7","1280","1283","10.1107/S0108270192013180","","","0.71073","MoKα","","0.0327","","","0.0598","","","","","1.102","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001577","37.912","0.003","9.286","0.001","17.482","0.003","90","","90","","90","","6154.6","1.3","","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C28 H44 N O Re S4 -","- C28 H44 N O Re S4 -","- C224 H352 N8 O8 Re8 S32 -","8","2","SH1033","Hübener, R.; Abram, U.","Structure of tetrabutylammonium bis[benzene-1,2-dithiolato(2‒)]oxorhenate(V)","Acta Crystallographica Section C","1993","49","6","1068","1070","10.1107/S0108270193001568","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001625","8.402","0.004","14.28","0.01","7.498","0.004","90","","90","","90","","899.6","0.9","150","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C3 H10 Cd Cl2 O2 S -","- C3 H10 Cd Cl2 O2 S -","- C12 H40 Cd4 Cl8 O8 S4 -","4","1","MU1030","Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J.","Structures of the cadmium halide complexes [{CdCl~2~(dmso)(MeOH)}~<i>n~</i>] and [{CdBr~2~(dmso)(MeOH)}~<i>n~</i>] with coordinated dimethyl sulfoxide and methanol","Acta Crystallographica Section C","1993","49","6","1173","1175","10.1107/S0108270192012150","","","0.71073","MoKα","","","0.0268","","","0.0336","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001802","19.048","0.006","10.507","0.004","6.691","0.004","90","","90","","90","","1339.1","1","","","","","","","","","","","","4","P n a 21","","","","","","- C13 H14 N4 O3 -","- C13 H14 N4 O3 -","- C52 H56 N16 O12 -","4","1","HU1003","Bardi, R.; Piazzesi, A. M.; Del Pra, A.","Structure of ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylhydrazonoethanoate","Acta Crystallographica Section C","1993","49","4","768","770","10.1107/S0108270192009806","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001813","13.409","0.003","20.196","0.005","16.517","0.004","90","","90","","90","","4472.9","1.8","295","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C43 H35 Cl3 N8 O13 Pt2 -","- C43 H34 Cl3 N8 O13 Pt2 -","- C172 H136 Cl12 N32 O52 Pt8 -","4","1","SP1005","Bailey, J. A.; Miskowski, V. M.; Gray, H. B.","A diphenylformamidinate-bridged terpyridineplatinum(II) dimer","Acta Crystallographica Section C","1993","49","4","793","796","10.1107/S0108270192010229","","","0.71073","MoKα","","","0.03","","","0.003","","","","","2.07","2.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001992","7.768","0.001","26.621","0.003","7.467","0.001","90","","90","","90","","1544.1","0.3","","","","","","","","","","","","3","P n a 21","","","","","","- C18 H16 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","CR1011","Wallet, J.-C.; Wojtczak, A.; Cody, V.; Galitsky, N.; Gaydou, E. M.","5,7-Dihydroxy-2-(2,3,4-trimethoxyphenyl)-4<i>H</i>-1-benzopyran-4-one (5,7-dihydroxy-2',3',4'-trimethoxyflavone)","Acta Crystallographica Section C","1993","49","2","357","359","10.1107/S010827019200670X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002092","13.467","0.001","14.879","0.001","10.1125","0.0008","90","","90","","90","","2026.3","0.3","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl6 Fe2 N4 -","- C8 H12 Cl6 Fe2 N4 -","- C32 H48 Cl24 Fe8 N16 -","4","1","DU1009","Gao, Y.; Guery, J.; Jacoboni, C.","FeCl~3~ behavior in acetonitrile: structures of [FeCl~2~(CH~3~CN)~4~][FeCl~4~] and [AlCl(CH~3~CN)~5~][FeCl~4~]~2~.CH~3~CN","Acta Crystallographica Section C","1993","49","1","147","151","10.1107/S0108270192009892","","","0.71073","MoKα","","","0.035","","","0.035","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002196","25.745","","7.81","","5.547","","90","","90","","90","","1115.3","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Dilanthanum dititanate","","- La2 O7 Ti2 -","- La2 O7 Ti2 -","- La16 O56 Ti16 -","8","2","","Scheunemann, K; Mueller-Buschbaum, Hk","Zur Kristallstruktur von La2 Ti2 O7","Journal of Inorganic and Nuclear Chemistry","1975","37","","1879","1881","10.1016/0022-1902(75)80906-7","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002242","6.01","","5.81","","8.39","","90","","90","","90","","293","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Lanthanum ytterbium oxide","","- La O3 Yb -","- La O3 Yb -","- La4 O12 Yb4 -","4","1","","Mueller-Buschbaum, Hk; Teske, C L","Zur Kenntnis der Kristallstruktur von La Yb O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","369","","255","263","10.1002/zaac.19693690316","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002256","9.541","","6.557","","7.227","","90","","90","","90","","452.1","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Tetraberyllium nonapraseodymium oxide","","- Be4 O20 Pr9 -","- Be4 O20 Pr9 -","- Be4 O20 Pr9 -","1","0.25","","Schweizer, M; Mueller-Buschbaum, Hk","Zur Kenntnis von Be4 Pr9 O20","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","482","","173","178","10.1002/zaac.19814821121","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002270","10.189","","7.725","","9.032","","90","","90","","90","","710.9","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Calcium digallate","","- Ca Ga2 O4 -","- Ca Ga2 O4 -","- Ca8 Ga16 O32 -","8","2","","Deiseroth, H J; Mueller-Buschbaum, Hk","Ueber Erdalkalimetalloxogallate. III. Untersuchung des Aufbaus von Ca Ga2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1973","396","","157","164","10.1002/zaac.19733960205","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002289","6.01","","5.81","","8.39","","90","","90","","90","","293","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Lanthanum ytterbium oxide","","- La O3 Yb -","- La O3 Yb -","- La4 O12 Yb4 -","4","1","","Mueller-Buschbaum, Hk; Teske, C","Untersuchungen am System La2 O3 - Yb2 O3 und ueber die Kristallstruktur von La Yb O3","Inorganic and Nuclear Chemistry Letters","1968","4","","151","152","10.1016/0020-1650(68)80158-8","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002848","10.19","","12.24","","3.56","","90","","90","","90","","444","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Strontium dipraseodymium oxide","","- O4 Pr2 Sr -","- O4 Pr2 Sr -","- O16 Pr8 Sr4 -","4","1","","Mueller-Buschbaum, Hk; Boehlke, A","Metastabile Oxometallate der Lanthanoidmetalle: Zur Kenntnis von Sr3 Pr4 O9 und Sr3 La2 Sm2 O9. Mit einem Beitrag ueber Sr Pr2 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","212","218","10.1002/zaac.19875531025","","","","","","0.2","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002850","26.64699","0.012","7.936","0.004","5.705","0.003","90","","90","","90","","1206.4","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Distrontium diniobate","","- Nb2 O7 Sr2 -","- Nb2 O7 Sr2 -","- Nb16 O56 Sr16 -","8","2","","Scheunemann, K; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Sr2 Nb2 O7","Journal of Inorganic and Nuclear Chemistry","1975","37","","1679","1680","10.1016/0022-1902(75)80297-1","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002881","10.529","0.001","11.372","0.001","7.019","0.003","90","","90","","90","","840.4","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dilead diindium disilicate","","- In2 O9 Pb2 Si2 -","- In2 O9 Pb2 Si2 -","- In8 O36 Pb8 Si8 -","4","1","","Werner, J-P; Mueller-Buschbaum, Hk","Zur Kenntnis eines synthetischen Kentrolits/Melanotekits des Indiums: Pb2 In2 Si2 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1213","1218","","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002907","13.2691","0.0006","6.6848","0.0004","10.7629","0.0006","90","","90","","90","","954.68","0.09","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs(0.05)Rb(0.95)TiOAsO4","","- As2 Cs0.14 O10 Rb1.86 Ti2 -","- As2 Cs0.136 O10 Rb1.864 Ti2 -","- As8 Cs0.544 O40 Rb7.456 Ti8 -","4","1","AN0545","Womersley, M. N.; Thomas, P. A.; Corker, D. L.","Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry","Acta Crystallographica Section B","1998","54","5","635","644","10.1107/S0108768198002985","","","0.71073","MoKα","","","0.0206","","","0.0213","","","","","1.0901","1.0901","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002908","13.33","0.002","6.7181","0.0009","10.762","0.001","90","","90","","90","","963.8","0.2","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs(0.31)Rb(0.69)TiOAsO4","","- As2 Cs0.62 O10 Rb1.38 Ti2 -","- As2 Cs0.62 O10 Rb1.38 Ti2 -","- As8 Cs2.48 O40 Rb5.52 Ti8 -","4","1","AN0545","Womersley, M. N.; Thomas, P. A.; Corker, D. L.","Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry","Acta Crystallographica Section B","1998","54","5","635","644","10.1107/S0108768198002985","","","0.71073","MoKα","","","0.0375","","","0.0425","","","","","1.0882","1.0882","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002909","13.392","0.004","6.769","0.002","10.7524","0.0008","90","","90","","90","","974.7","0.4","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs(0.58)Rb(0.42)TiOAsO4","","- As2 Cs1.15 O10 Rb0.85 Ti2 -","- As2 Cs1.145 O10 Rb0.855 Ti2 -","- As8 Cs4.58 O40 Rb3.42 Ti8 -","4","1","AN0545","Womersley, M. N.; Thomas, P. A.; Corker, D. L.","Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry","Acta Crystallographica Section B","1998","54","5","635","644","10.1107/S0108768198002985","","","0.71073","MoKα","","","0.0224","","","0.0231","","","","","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002910","13.426","0.001","6.8054","0.0006","10.7205","0.0009","90","","90","","90","","979.52","0.14","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs(0.71)Rb(0.29)TiOAsO4","","- As2 Cs1.43 O10 Rb0.57 Ti2 -","- As2 Cs1.429 O10 Rb0.571 Ti2 -","- As8 Cs5.716 O40 Rb2.284 Ti8 -","4","1","AN0545","Womersley, M. N.; Thomas, P. A.; Corker, D. L.","Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry","Acta Crystallographica Section B","1998","54","5","635","644","10.1107/S0108768198002985","","","0.71073","MoKα","","","0.0287","","","0.0349","","","","","1.873","1.873","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002911","13.467","0.004","6.836","0.001","10.704","0.002","90","","90","","90","","985.4","0.4","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs(0.86)Rb(0.14)TiOAsO4","","- As2 Cs1.73 O10 Rb0.27 Ti2 -","- As2 Cs1.732 O10 Rb0.268 Ti2 -","- As8 Cs6.928 O40 Rb1.072 Ti8 -","4","1","AN0545","Womersley, M. N.; Thomas, P. A.; Corker, D. L.","Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry","Acta Crystallographica Section B","1998","54","5","635","644","10.1107/S0108768198002985","","","0.71073","MoKα","","","0.0279","","","0.0323","","","","","1.4451","1.4451","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002912","13.43","0.001","6.8","0.001","10.762","0.002","90","","90","","90","","982.8","0.2","153","","153","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs(0.71)Rb(0.29)TiOAsO4","","- As2 Cs1.4 O10 Rb0.6 Ti2 -","- As2 Cs1.396 O10 Rb0.604 Ti2 -","- As8 Cs5.584 O40 Rb2.416 Ti8 -","4","1","AN0545","Womersley, M. N.; Thomas, P. A.; Corker, D. L.","Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry","Acta Crystallographica Section B","1998","54","5","635","644","10.1107/S0108768198002985","","","0.71073","MoKα","","","0.0231","","","0.0321","","","","","1.7816","1.7816","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002913","13.442","0.005","6.816","0.002","10.735","0.002","90","","90","","90","","983.5","0.5","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs(0.86)Rb(0.14)TiOAsO4","","- As2 Cs1.72 O10 Rb0.28 Ti2 -","- As2 Cs1.719 O10 Rb0.281 Ti2 -","- As8 Cs6.876 O40 Rb1.124 Ti8 -","4","1","AN0545","Womersley, M. N.; Thomas, P. A.; Corker, D. L.","Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry","Acta Crystallographica Section B","1998","54","5","635","644","10.1107/S0108768198002985","","","0.71073","MoKα","","","0.0197","","","0.0303","","","","","1.7631","1.7631","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002914","13.466","0.003","6.837","0.0008","10.704","0.002","90","","90","","90","","985.5","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs(0.9)Rb(0.1)TiOAsO4","","- As2 Cs1.8 O10 Rb0.16 Ti2 -","- As2 Cs1.8025 O10 Rb0.15 Ti2 -","- As8 Cs7.21 O40 Rb0.6 Ti8 -","4","1","AN0546","Thomas, P. A.; Womersley, M. N.","Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. II. The Problems of Interpretation of Residual Electron Densities in a Polar Space Group","Acta Crystallographica Section B","1998","54","5","645","651","10.1107/S0108768198002997","","","0.71073","MoKα","","0.0306","0.0279","","0.0591","0.0579","","","","1.123","1.128","1.128","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002926","15.017","0.006","5.876","0.003","10.418","0.004","90","","90","","90","","919.3","0.7","163","","163","","","","","","","","","4","P n a 21","P 2c -2n","33","","ammonium tetrafluoroberyllate","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be8 F32 H64 N16 -","8","2","BK0051","Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.","Neutron structures of ammonium tetrafluoroberyllate","Acta Crystallographica Section B","1999","55","1","17","23","10.1107/S010876819800737X","","neutron","1.0462","neutron","","0.0476","0.0476","","0.0552","0.0552","","","","1.065","1.065","1.065","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2002927","14.997","0.005","5.86","0.003","10.402","0.004","90","","90","","90","","914.2","0.7","20","","20","","","","","","","","","4","P n a 21","P 2c -2n","33","","ammonium tetrafluoroberyllate","","- Be F4 H8 N2 -","- Be F4 H8 N2 -","- Be8 F32 H64 N16 -","8","2","BK0051","Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.","Neutron structures of ammonium tetrafluoroberyllate","Acta Crystallographica Section B","1999","55","1","17","23","10.1107/S010876819800737X","","neutron","1.0462","neutron","","0.0342","0.0342","","0.0405","0.0405","","","","1.0436","1.0436","1.0436","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2002970","8.779","0.002","22.042","0.005","6.043","0.002","90","","90","","90","","1169.3","0.8","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Jerry P. Jasinski; Richard C. Woudenberg","7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms","Acta Crystallographica Section C","1995","51","","107","109","","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003195","10.0416","0.0004","8.0285","0.0003","4.8553","0.0002","90","","90","","90","","391.43","0.04","298","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- As Be H2 Li O5 -","- As Be H2 Li O5 -","- As4 Be4 H8 Li4 O20 -","4","1","","Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.","Lithium Berylloarsenate Hydrate, LiBeAsO~4~.H~2~O","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","181","183","10.1107/S0108270194010061","","","1.54178","CopperKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003234","15.387","0.002","7.705","0.002","16.013","0.002","90","","90","","90","","1898.5","0.6","296","","296","","","","","","","","synthesized and crystallized from EtOH/H~2~O solution","5","P n a 21","P 2c -2n","33","","6-ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidyl)-5-methyl-1-oxo-1H,5H- benzo[i,j]quinolizine-2-carboxylic acid","","- C21 H25 F N2 O4 -","- C21 H25 F N2 O4 -","- C84 H100 F4 N8 O16 -","4","1","AS1135","Hashimoto, K.; Fujita, N.; Tanaka, T.; Kido, M.","6-Ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-piperidino)-5-methyl-1-oxo-1<i>H</i>,5<i>H</i>-benzo[<i>ij</i>]quinolizine-2-carboxylic Acid","Acta Crystallographica Section C","1995","51","3","519","521","10.1107/S0108270194008504","","","0.7107","MoKα","","","0.036","","","0.04","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003298","20.076","0.002","6.831","0.002","20.113","0.001","90","","90","","90","","2758.3","0.9","293","","","","","","","","","","Kristallisation (Propanol/Hexan)","4","P n a 21","P 2c -2n","33","","","","- C24 H30 N10 O8 -","- C24 H30 N10 O8 -","- C96 H120 N40 O32 -","4","1","SH1093","Gzella, A.; Wrzeciono, U.","Struktur der Molekularverbindung von 3,5-Dinitroindazol und Piperidin. 39. Azole","Acta Crystallographica Section C","1995","51","3","484","487","10.1107/S0108270194008930","","","1.54178","CuKα","","","0.035","","","0.034","","","","","2.8675","2.8675","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003379","21.47","0.006","16.765","0.002","9.6155","0.0014","90","","90","","90","","3461","1.2","150","0.2","150","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis(triphenylphosphine)iminium Tetrachloro-oxo-molybdenum(V)","","- C36 H30 Cl4 Mo N O P2 -","- C36 H30 Cl4 Mo N O P2 -","- C144 H120 Cl16 Mo4 N4 O4 P8 -","4","1","MU1151","Blake, A. J.; Parsons, S.; Downs, A. J.; Limberg, C.","Bis(triphenylphosphine)iminium Tetrachlorooxomolybdenum(V) at 150 K","Acta Crystallographica Section C","1995","51","4","571","573","10.1107/S0108270194011303","","","0.71073","MoKα","","0.0546","0.0422","","0.0872","0.078","","","","1.082","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003483","22.512","0.009","19.613","0.009","6.201","0.003","90","","90","","90","","2738","2","","","85","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tris(cyclohexylammonium) phosphoglycolate trihydrate","","- C20 H50 N3 O9 P -","- C20 H50 N3 O9 P -","- C80 H200 N12 O36 P4 -","4","1","MU1147","Lis, T.","Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate","Acta Crystallographica Section C","1995","51","5","997","1001","10.1107/S0108270194011297","","","0.71069","MoKα","","","0.0431","","","0.1157","","","","","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003537","14.01","0.001","7.104","0.001","34.086","0.002","90","","90","","90","","3392.5","0.6","295","","295","","","","","","","","synthesis (Yoneda, 1976)","4","P n a 21","P 2c -2n","33","lumiflavine","Lumiflavinium (7,8,10-trimethylbenzo[g] pteridine-2,4(1H,3H)-dione) nitrate.","","- C13 H14 N6 O8 -","- C13 H13 N6 O8 -","- C104 H104 N48 O64 -","8","2","DU1097","Wouters, J.; Evrard, G.; Durant, F.","Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate","Acta Crystallographica Section C","1995","51","6","1223","1227","10.1107/S0108270194014265","","","1.5406","CuKα","","0.079","0.054","","0.063","0.052","","","","","2.05","2.05","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2004148","7.625","0.003","11.262","0.002","13.883","0.002","90","","90","","90","","1192.2","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-(p-tolyl)phthalimide","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","KA1133","Bocelli, G.; Cantoni, A.; Cozzini, P.","<i>N</i>-(<i>p</i>-Tolyl)phthalimide","Acta Crystallographica Section C","1995","51","11","2372","2374","10.1107/S0108270195007177","","","1.54178","CuKα","","0.0334","0.0304","","0.0806","0.0781","","","","1.027","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004200","13.494","0.004","8.205","0.003","7.491","0.002","90","","90","","90","","829.4","0.4","293","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H11 N S2 -","- C6 H11 N S2 -","- C24 H44 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.0398","","","0.0383","","","","","0.556","0.556","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004215","9.504","0.002","15.059","0.003","5.295","0.002","90","","90","","90","","757.8","0.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","3-methylphthalic anhydride","","","- C9 H6 O3 -","- C9 H6 O3 -","- C36 H24 O12 -","4","1","BM1019","Bocelli, G.; Cantoni, A.","3-Methylphthalic Anhydride","Acta Crystallographica Section C","1995","51","12","2652","2654","10.1107/S0108270195008869","","","1.54178","CuKα","","0.085","0.0323","","0.0746","0.0433","","","","0.647","0.929","0.929","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004222","12.826","0.0005","16.9115","0.0004","9.0052","0.0003","90","","90","","90","","1953.29","0.11","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,1,3,4-tetramethyl-3-(1-methyl-1H-indole-3-yl)-2,2,3,4-tetrahydro-cyclo- penta[b]indole","","- C24 H26 N2 -","- C24 H26 N2 -","- C96 H104 N8 -","4","1","CF1009","Schollmeyer, D.; Fischer, G.; Pindur, U.","Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole","Acta Crystallographica Section C","1995","51","12","2572","2575","10.1107/S0108270195007761","","","1.54178","CuKα","","0.0504","0.0494","","0.1383","0.1362","","","","1.031","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004251","15.225","0.004","8.652","0.003","9.306","0.002","90","","90","","90","","1225.8","0.6","296.2","","296.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","(2,3-benzobicyclo[2.2.1]hepta-2,5-diene)tricarbonylchromium","","- C14 H10 Cr O3 -","- C14 H10 Cr O3 -","- C56 H40 Cr4 O12 -","4","1","FG1100","Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A.","<i>exo</i>-π-(Benzonorbornadiene)tricarbonylchromium","Acta Crystallographica Section C","1995","51","12","2565","2567","10.1107/S0108270195008432","","","0.7107","MoKα","","0.0755","0.0328","","0.0331","0.0287","","","","","1.579","1.579","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004289","15.401","0.007","18.228","0.011","5.857","0.003","90","","90","","90","","1644.2","1.5","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","(Theophyllinato-N^7^)(dimethylphenylphosphine)gold(I)","(3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dionato-N^7^)- (dimethylphenylphosphine)gold(I)","","- C15 H18 Au N4 O2 P -","- C15 H18 Au N4 O2 P -","- C60 H72 Au4 N16 O8 P4 -","4","1","MU1194","Pajunen, A.; Kivekäs, R.; Colacio, E.; Cuesta, R.","(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-7-yl)(dimethylphenylphosphine)gold(I)","Acta Crystallographica Section C","1995","51","12","2551","2554","10.1107/S0108270195008109","","","0.71073","MoKα","","0.0375","0.0351","","0.0849","0.0833","","","","1.12","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004347","24.07","0.005","4.332","0.003","11.8298","0.0005","90","","90","","90","","1233.5","0.9","298","2","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H8 N6 O7 -","- C9 H8 N6 O7 -","- C36 H32 N24 O28 -","4","1","AS1156","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1<i>H</i>-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid","Acta Crystallographica Section C","1996","52","1","231","235","10.1107/S0108270195010602","","","0.71073","MoKα","","","0.037","","","0.087","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004355","29.321","0.023","18.671","0.017","4.693","0.003","90","","90","","90","","2569","3","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","6-(3-methoxyphenyl)-4-methylthio-2-oxo-2H-1-pyran-3-carbonitrile","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C112 H88 N8 O24 S8 -","8","2","BM1028","Kumar, A.; Kumar, N.; Parmar, V. S.; Errington, W.","3-Cyano-6-(3-methoxyphenyl)-4-methylthio-2-pyranone","Acta Crystallographica Section C","1996","52","1","127","129","10.1107/S010827019500967X","","","0.71073","MoKα","","0.0831","0.0513","","0.1666","0.118","","","","1.105","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004366","25.4909","0.0004","14.586","0.0012","7.4","0.002","90","","90","","90","","2751.4","0.8","150","","150","","","","","","","","","2","P n a 21","P 2c -2n","33","triphenylmethane","","","- C19 H16 -","- C19 H16 -","- C152 H128 -","8","2","CF1020","Veldman, N.; Spek, A. L.; Schlotter, J. J. H.; Zwikker, J. W.; Jenneskens, L. W.","Low-Temperature Triphenylmethane","Acta Crystallographica Section C","1996","52","1","174","177","10.1107/S0108270195011164","","","0.71073","MoKα","","0.129","0.054","","","0.129","","","","0.971","0.971","0.971","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004514","27.7","0.003","7.63","0.004","12.382","0.001","90","","90","","90","","2616.9","1.4","293","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","2","KA1129","Lakshmi, S.; Subramanian, K.; Koellner, G.; Steiner, Th.; Rajagopalan, K.","7β-Hydroxy-7α-(3-propargyl)-3-methylspiro[5.5]undec-2-en-1-one","Acta Crystallographica Section C","1996","52","2","405","407","10.1107/S0108270195011334","","","1.54184","CuKα","","","0.047","","","0.1182","","","","","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004605","15.41","0.003","3.953","0.001","18.081","0.006","90","","90","","90","","1101.4","0.5","295","","","","","","","","","","","3","P n a 21","","","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","FG1096","del Benites, M.; Maverick, A. W.; Fronczek, F. R.","1,8-Dichloroanthracene","Acta Crystallographica Section C","1996","52","3","647","648","10.1107/S0108270195014673","","","0.71073","MoKα","","","0.057","","","0.059","","","","","1.955","1.955","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004890","15.187","0.005","12.883","0.003","11.468","0.003","90","","90","","90","","2243.8","1.1","293","","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","4,5-ethylenedioxy-1,3-dimethyl-dihydrouric acid","cis-4,5-ethylenedioxy-1,3-dimethyltetrahydropurine-2,6,8-trione","","- C9 H12 N4 O5 -","- C9 H12 N4 O5 -","- C72 H96 N32 O40 -","8","2","KA1144","Poje, N.; Poje, M.; Vickovic, I.","<i>cis</i>-Perhydro-1,3-dimethyl-4,5-(epoxyethanoxy)purine-2,6,8-trione","Acta Crystallographica Section C","1996","52","5","1311","1313","10.1107/S0108270195011322","","","1.54178","CuKα","","0.0465","0.0426","","0.0725","0.0711","","","","0.982","1.013","1.013","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004975","14.328","0.004","15.292","0.003","8.673","0.002","90","","90","","90","","1900.3","0.8","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C76 H88 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.1097","0.0482","","0.0745","0.0537","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004984","16.139","0.001","5.117","0.001","26.887","0.002","90","","90","","90","","2220.4","0.5","296","","296","","","","","","","","","3","P n a 21","P 2c -2n","33","Xanthene-9-carboxylic acid","","","- C14 H10 O3 -","- C14 H10 O3 -","- C112 H80 O24 -","8","2","FG1134","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Xanthene-9-carboxylic Acid","Acta Crystallographica Section C","1996","52","6","1486","1488","10.1107/S0108270195016167","","","0.71073","MoKα","","","0.058","","","0.046","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005072","21.771","0.004","10.608","0.002","16.885","0.003","90","","90","","90","","3899.5","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","trans-chloromethylbis(tri-p-tolylarsine)platinum(II)","","- C43 H45 As2 Cl Pt -","- C43 H45 As2 Cl Pt -","- C172 H180 As8 Cl4 Pt4 -","4","1","AB1292","Otto, S.; Roodt, A.","<i>trans</i>-Chloromethylbis(tri-<i>p</i>-tolylarsine)platinum(II)","Acta Crystallographica Section C","1996","52","7","1636","1638","10.1107/S0108270196000510","","","0.71073","MoKα","","0.0226","0.0226","","0.0545","0.0545","","","","1.077","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005176","11.721","0.003","15.778","0.002","20.879","0.004","90","0.02","90","0.02","90","0.02","3861.2","1.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H42 O5 S2 -","- C42 H42 O5 S2 -","- C168 H168 O20 S8 -","4","1","PT1030","Kabaleeswaran, V.; Rajan, S. S.; Kannan, A.; Rajakumar, P.","A New Cyclophane","Acta Crystallographica Section C","1996","52","7","1729","1731","10.1107/S0108270196001400","","","1.5418","CuKα","","0.095","0.07","","0.101","0.077","","","","1.11","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005250","11.815","0.003","19.334","0.002","8.839","0.002","90","","90","","90","","2019.1","0.7","294.2","","294.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H27 Cl2 Cu N5 O8 -","- C11 H27 Cl2 Cu N5 O8 -","- C44 H108 Cl8 Cu4 N20 O32 -","4","1","FG1210","Dittler-Klingemann, A. M.; Hahn, F. E.; Orvig, C.; Rettig, S. J.","(Acetonitrile)[<i>N</i>,<i>N</i>-bis(3-aminopropyl)-1,3-propanediamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","8","1957","1959","10.1107/S0108270196007858","","","0.7107","MoKα","","0.2274","0.0392","","0.0473","0.0339","","","","","1.581","1.581","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005507","10.6814","0.0015","20.22","0.005","11.467","0.002","90","","90","","90","","2476.6","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Chlorotris-(p-methylsulphonylphenyl)Tin(IV)","","- C21 H21 Cl O6 S3 Sn -","- C21 H21 Cl O6 S3 Sn -","- C84 H84 Cl4 O24 S12 Sn4 -","4","1","FG1190","Wharf, I.; Lebuis, A.-M.; Lamparski, H.","Chlorotris(<i>p</i>-methylsulfonylphenyl)tin(IV)","Acta Crystallographica Section C","1996","52","10","2477","2480","10.1107/S0108270196007792","","","0.7093","MolybdenumKα","","0.075","0.0478","","0.0827","0.0755","","","","1.027","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005707","36.429","0.003","10.703","0.001","16.53","0.001","90","","90","","90","","6445","0.9","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C53 H70 B18 Cl2 P4 Rh2 S2 -","- C53 H68 B18 Cl2 P4 Rh2 S2 -","- C212 H272 B72 Cl8 P16 Rh8 S8 -","4","1","AB1398","Rosair, G. M.; Welch, A. J.; Weller, A. S.","8-[1,2-Bis(diphenylphosphino)ethane]-9,10-μ-hydrido-8-rhoda-7-thia-<i>nido</i>-undecaborane(10)‒Dichloromethane (2/1)","Acta Crystallographica Section C","1996","52","12","3020","3024","10.1107/S0108270196010748","","","0.71073","MoKα","","0.0858","0.0529","","0.1406","0.1051","","","","1.104","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005764","24.904","0.005","6.029","0.0012","5.164","0.001","90","","90","","90","","775.4","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-2H-1,3-Benzoxazine-2,4(1H)-dione","","- C8 H4 Br N O3 -","- C8 H4 Br N O3 -","- C32 H16 Br4 N4 O12 -","4","1","DU1159","Lubini, P.; Wouters, J.","6-Bromo-2<i>H</i>-3,1-benzoxazine-2,4(1<i>H</i>)-dione at 153K","Acta Crystallographica Section C","1996","52","12","3108","3110","10.1107/S0108270196008888","","","0.71073","MoKα","","0.0625","0.0559","","0.1424","0.1343","","","","1.026","1.02","1.02","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005800","15.789","0.013","8.139","0.01","10.719","0.007","90","","90","","90","","1377","2","193","1","193","1","","","","","","","","6","P n a 21","P 2c -2n","33","2-Anilidopyridinetungstenoxotrichloride","trichloro-2-(phenylamido)pyridineoxotungsten","","- C11 H9 Cl3 N2 O W -","- C11 H9 Cl3 N2 O W -","- C44 H36 Cl12 N8 O4 W4 -","4","1","MU1278","Polamo, M.","<i>mer</i>-Trichloro[2-(phenylamino)pyridinato]oxotungsten(VI)","Acta Crystallographica Section C","1996","52","12","2980","2982","10.1107/S010827019601027X","","","0.71073","MoKα","","0.0351","0.0295","","0.0753","0.0735","","","","1.04","1.064","1.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005822","16.164","0.008","7.194","0.005","11.923","0.005","90","","90","","90","","1386.5","1.3","293","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[(Trimethylstannyl)cyclopentadienyl]titaniumtrichloride","","- C8 H13 Cl3 Sn Ti -","- C8 H13 Cl3 Sn Ti -","- C32 H52 Cl12 Sn4 Ti4 -","4","1","SK1054","Churakov, A. V.; Kuz'mina, L. G.","Trichloro[η^5^-(trimethylstannyl)cyclopentadienyl]titanium","Acta Crystallographica Section C","1996","52","12","3037","3038","10.1107/S0108270196011365","","","0.71069","MoKα","","0.0666","0.0351","","0.0913","0.0824","","","","1.043","1.168","1.168","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005854","8.789","0.004","17.3","0.007","8.595","0.003","90","","90","","90","","1306.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","aluminum potassium phospho-arsenate","","- Al2 As1.92 K3 O12 P1.08 -","- Al2 As1.925 K3 O12 P1.075 -","- Al8 As7.7 K12 O48 P4.3 -","4","1","DU1164","Boughzala, H.; Driss, A.; Jouini, T.","K~3~Al~2~As~1,92~P~1,08~O~12~","Acta Crystallographica Section C","1997","53","1","3","5","10.1107/S0108270196009894","","","0.71069","MoKα","","0.0923","0.0493","","0.0609","0.0537","","","","1.318","1.462","1.462","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005905","16.331","0.006","29.61","0.01","10.854","0.005","90","","90","","90","","5249","4","296","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C50 H48 Cl4 N2 O7 P2 Re2 -","- C50 H44 Cl4 N2 O7 P2 Re2 -","- C200 H176 Cl16 N8 O28 P8 Re8 -","4","1","AB1373","Gerber, T. I. A.; Perils, J.; Du Preez, J. G. H.; Bandoli, G.","Chelation of 2,6-Bis(hydroxymethyl)pyridine in <i>cis</i>-Dichloro(triphenylphosphine-<i>P</i>)[2-(oxymethylene-<i>O</i>)-6-(hydroxymethyl)pyridine-<i>N</i>]oxorhenium(V)‒Water (2/1)","Acta Crystallographica Section C","1997","53","2","217","219","10.1107/S0108270196013030","","","0.71073","MoKα","","","0.0443","","","0.0597","","","","","0.85","0.85","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2005939","9.77","0.001","16.018","0.004","7.575","0.002","90","","90","","90","","1185.5","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9,10-dihydro-9-oxo-10-acridineacetic acid","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","JZ1150","Dobrzynska, D.; Turowska-Tyrk, I.","9,10-Dihydro-9-oxo-10-acridineacetic Acid","Acta Crystallographica Section C","1997","53","2","238","239","10.1107/S0108270196012802","","","0.71073","MoKα","","0.055","0.039","","0.115","0.103","","","","1.03","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005962","8.181","0.003","21.02","0.004","17.402","0.001","90","","90","","90","","2992.5","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(1R*,3R*,4S*)-4-Tert-Butyldiphenylsilyloxy-6,7-dimethoxy-1- methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.","","- C34 H39 N O3 Si -","- C34 H39 N O3 Si -","- C136 H156 N4 O12 Si4 -","4","1","AB1410","Pizarro, J. L.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.","(1<i>R</i>*,3<i>R</i>*,4<i>S</i>*)-4-(<i>tert</i>-Butyldiphenylsilyloxy)-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1997","53","3","355","358","10.1107/S0108270196013376","","","0.71069","MoKα","","0.036","0.0305","","0.0925","0.0829","","","","1.121","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006075","8.8435","0.001","8.7911","0.001","7.7906","0.001","90","","90","","90","","605.67","0.12","293","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","TRIS","Tris(2-hydroxymethyl)aminomethane","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C16 H44 N4 O12 -","4","1","NA1262","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)","Acta Crystallographica Section C","1997","53","4","482","486","10.1107/S0108270196013649","","","0.71069","MoKα","","0.0352","0.032","","0.0883","0.0837","","","","1.042","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006086","18.53","0.008","13.443","0.01","17.737","0.008","90","","90","","90","","4418","4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,2'-[(1,2-ethanediyl)bis(nitrilobenzylidyne)]bisphenol","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C224 H192 N16 O16 -","8","2","PA1247","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminoethane","Acta Crystallographica Section C","1997","53","4","486","488","10.1107/S0108270196014473","","","0.71073","MoKα","","0.1121","0.0394","","0.0854","0.0674","","","","0.546","0.796","0.796","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006160","9.7232","0.0011","9.2506","0.0013","10.6178","0.0013","90","","90","","90","","955","0.2","130","1","130","1","","","","","","","","5","P n a 21","P 2c -2n","33","","N-butylthiophen-3-carboxamide","","- C9 H13 N O S -","- C9 H13 N O S -","- C36 H52 N4 O4 S4 -","4","1","SK1076","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","<i>N</i>-Butylthiophene-3-carboxamide and 2-Benzylseleno-<i>N</i>-butylthiophene-3-carboxamide at 130K","Acta Crystallographica Section C","1997","53","5","641","644","10.1107/S0108270196015788","","","1.5418","CuKα(nickelfiltered)","","0.0363","0.036","","0.1045","0.1042","","","","1.072","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006182","24.612","0.002","3.8302","0.0004","8.501","0.0005","90","","90","","90","","801.38","0.12","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline","3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","BK1284","Ebisuzaki, Yukiko; Boyle, Paul D.; Smith, Jennifer A.","Methylxanthines. I. Anhydrous Theophylline","Acta Crystallographica Section C","1997","53","6","777","779","10.1107/S0108270197001960","","","0.71073","MolybdenumKα","","0.053","0.053","","0.056","0.056","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006185","7.4948","0.0003","11.5989","0.0006","27.147","0.003","90","","90","","90","","2359.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3-benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione.H~2O. picrate complex","","- C20 H24 N6 O12 -","- C20 H24 N6 O12 -","- C80 H96 N24 O48 -","4","1","BM1115","Hundal, Geeta; Kumar, Subodh; Hundal, Maninder Singh; Singh, Harjit; Sanz-Aparicio, Julia; Martinez-Ripoll, Martin","10<i>H</i>^+^-2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione Picrate Hydrate (1/1/1)","Acta Crystallographica Section C","1997","53","6","799","801","10.1107/S0108270196015041","","","1.5418","CuKα","","0.045","0.0399","","0.1071","0.0997","","","","1.089","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006297","19.239","0.003","10.5","0.002","15.696","0.002","90","","90","","90","","3170.7","0.9","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Cyclotetra[iodo-methylcyclopentadienyl-μ-oxo-titanium (IV)]","","- C24 H28 I4 O4 Ti4 -","- C24 H28 I4 O4 Ti4 -","- C96 H112 I16 O16 Ti16 -","4","1","FG1201","Kienitz, Carsten O.; Thöne, Carsten; Jones, Peter G.","<i>cyclo</i>-Tetrakis(μ-oxo)tetrakis[iodo(η^5^-methylcyclopentadienyl)titanium(IV)]","Acta Crystallographica Section C","1997","53","7","843","845","10.1107/S0108270196007524","","","0.71073","MoKα","","0.1167","0.0766","","0.186","0.1578","","","","1.018","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006376","9.606","0.002","6.378","0.002","30.077","0.005","90","","90","","90","","1842.7","0.8","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-Carboxy-dl-Phenylalanine Anhydride","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C80 H72 N8 O24 -","8","2","DE1051","Hitoshi Kanazawa; Hidehiro Uekusa; Yuji Ohashi","<i>N</i>-Carboxy-<small>DL</small>-phenylalanine Anhydride","Acta Crystallographica Section C","1997","53","8","1154","1156","10.1107/S0108270197004010","","","1.54184","CuKα","","0.0453","0.0338","","0.0901","0.0838","","","","1.089","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006400","16.746","0.002","12.974","0.002","11.582","0.002","90","","90","","90","","2516.3","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Potassium strontium tetraborate decahydrate","","- B8 H28 K2 O28 Sr -","- B8 H28 K2 O28 Sr -","- B32 H112 K8 O112 Sr4 -","4","1","KA1150","Xavier Solans; Joaquim Solans; M. Victoria Domènech","Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate","Acta Crystallographica Section C","1997","53","8","994","997","10.1107/S0108270196007032","","","0.71069","MoKα","","0.033","0.033","","0.076","0.076","","","","0.994","0.993","0.993","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"2006468","12.7982","0.0009","6.3937","0.0007","10.5853","0.0009","90","","90","","90","","866.2","0.1","110","3","110","3","","","","","","","","4","P n a 21","P 2c -2n","33","Potassium titanyl phosphate","Potassium oxotitanium phosphate(V)","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","DU1171","Dahaoui, Slimane; Hansen, Niels K.; Menaert, Bertrand","NaTiOPO~4~ and KTiOPO~4~ at 110 K","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","9","1173","1176","10.1107/s0108270197004265","","","0.56087","AgKα","","0.0123","0.0123","","","0.0119","","","","","1","1","","","","","has coordinates,has Fobs","180689","2020-10-21","18:00:00",""
"2006478","20.12","0.004","13.075","0.004","6.149","0.004","90","","90","","90","","1617.6","1.2","294","","294","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H26 O -","- C18 H26 O -","- C72 H104 O4 -","4","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","","0.0627","0.0368","","","","0.1104","","","","","","1.12","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006532","6.979","0.001","15.649","0.002","12.515","0.002","90","","90","","90","","1366.8","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium","","- C12 H17 Cl O2 Ru -","- C12 H17 Cl O2 Ru -","- C48 H68 Cl4 O8 Ru4 -","4","1","QB0009","Abboud, Khalil A.; Yin, Jianguo; Jones, William, M.","Carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium","Acta Crystallographica Section C","1997","53","9","IUC9700011","","10.1107/S0108270197099459","","","0.71073","MoKα","","0.0365","0.0262","","0.0545","0.0523","","","","1.012","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006643","15.309","0.0007","10.553","0.0011","6.973","0.0014","90","","90","","90","","1126.5","0.3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","BM1160","Lydon, Kevin M.; McKee, Vickie; McKervey, M. Anthony","3-Diazo-1-benzyloxycarbonylpyrrolidin-2-one","Acta Crystallographica Section C","1997","53","11","1675","1676","10.1107/S0108270197007877","","","0.71073","MoKα","","0.031","0.0269","","0.0715","0.0686","","","","1.121","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006671","16.889","0.001","9.2407","0.0005","6.2644","0.0006","90","","90","","90","","977.66","0.12","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","cyclohexanespiro-5'-hydantoin monohydrate","","- C8 H14 N2 O3 -","- C8 H14 N2 O3 -","- C32 H56 N8 O12 -","4","1","FG1332","Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R.","Two Cyclohexanespiro-5'-hydantoin Monohydrates","Acta Crystallographica Section C","1997","53","11","1659","1661","10.1107/S0108270197007488","","","1.54184","CuKα","","","0.038","","","0.039","","","","","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006691","9.2511","0.001","13.513","0.003","6.1542","0.0003","90","","90","","90","","769.34","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","6-Nitrophthalide","1,3-Dihydro-6-nitrobenzo[c]furan-1-one","","- C8 H5 N O4 -","- C8 H5 N O4 -","- C32 H20 N4 O16 -","4","1","JZ1219","Bradley, Richard F.; Schwalbe, Carl H.; Ross, Kenneth C.; Fraser, William; Freeman, Sally","6-Nitrophthalide","Acta Crystallographica Section C","1997","53","11","1626","1628","10.1107/S0108270197008494","","","1.54178","CuKα","","0.0376","0.0361","","0.0993","0.0968","","","","1.072","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006697","14.486","0.002","11.1562","0.0007","6.373","0.002","90","","90","","90","","1029.9","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","KA1240","Hartung, Jens; Svoboda, Ingrid; Fuess, Hartmut; Duarte, Maria Teresa","Lone-Pair Repulsion in Cyclic Hydroxamic Acid <i>O</i>-Esters: <i>N</i>-Cyclohexyloxy-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1997","53","11","1629","1631","10.1107/S0108270197008846","","","0.71093","MoKα","","0.0434","0.038","","0.0917","0.0873","","","","1.114","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006709","10.758","0.001","23.899","0.002","5.9","0.001","90","","90","","90","","1516.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-(p-Chlorophenyl)-4(2-thienyl)pyrrolidin-2-one-5-carboxylic acid","","- C15 H12 Cl N O3 S -","- C15 H12 Cl N O3 S -","- C60 H48 Cl4 N4 O12 S4 -","4","1","MU1332","Jayanta Kumar Ray; Bidhan Chandra Roy; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","1-(<i>p</i>-Chlorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2-carboxylic Acid","Acta Crystallographica Section C","1997","53","11","1622","1624","10.1107/S0108270197009396","","","0.71073","MoKα","","0.085","0.0384","","0.0817","0.0714","","","","0.816","1.021","1.021","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006780","21.3183","0.0005","5.6751","0.0002","22.505","0.0004","90","","90","","90","","2722.73","0.13","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","2","BS1033","Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.","α,α-Difluoro-β-lactone and its Non-Fluorinated Analog","Acta Crystallographica Section C","1997","53","12","1923","1926","10.1107/S0108270197010020","","","0.71073","MoKα","","0.059","0.048","","0.113","0.104","","","","1.08","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006797","7.835","0.0014","37.23","0.008","11.318","0.003","90","0.02","90","0.02","90","0.02","3301.4","1.3","117","2","117","2","","","","","","","","4","P n a 21","P 2c -2n","33","","33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo(17.8 .5.1^3,7^,1^8,12^.1^13,17^)pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(3 3)-nonaene-2,18-dione C36 H44 N2 O8","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C144 H176 N8 O32 -","4","1","FG1281","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Two Isomeric [2.1]Cryptahemispherand Diamides","Acta Crystallographica Section C","1997","53","12","1835","1838","10.1107/S0108270197009554","","","0.71073","MoKα","","0.0781","0.061","","0.1616","0.1462","","","","1.05","1.086","1.086","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006888","6.805","0.001","13.225","0.001","13.902","0.001","90","","90","","90","","1251.1","0.2","292","2","292","2","","","","","","","","4","P n a 21","P 2c -2n","33","","7-Methoxy-4,4,6-trichloro-2,4,5,6-tetrahydro-3H-3a,5-meth-anoazulene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","TA1168","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes","Acta Crystallographica Section C","1997","53","12","2000","2002","10.1107/S0108270197010044","","","1.5418","CuKα","","0.057","0.052","","0.125","0.121","","","","1.031","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006919","23.882","0.004","8.3285","0.0012","20.338","0.003","90","","90","","90","","4045.3","1.1","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tetrakis(acetonitrilo)copper(I) Tetrafluoroborate","","- C8 H12 B Cu F4 N4 -","- C8 H12 B Cu F4 N4 -","- C96 H144 B12 Cu12 F48 N48 -","12","3","FG1379","Jones, Peter G.; Crespo, Olga","Tetrakis(acetonitrile-<i>N</i>)copper(I) Tetrafluoroborate","Acta Crystallographica Section C","1998","54","1","18","20","10.1107/S0108270197013322","","","0.71073","MoKα","","0.0745","0.0437","","0.0907","0.0834","","","","0.931","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006931","12.274","0.003","7.957","0.003","15.444","0.003","90","","90","","90","","1508.3","0.7","294","","294","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H12 O3 -","- C20 H12 O3 -","- C80 H48 O12 -","4","1","FR1071","Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T.","Photochemistry of Triptycene-1,4-quinone","Acta Crystallographica Section C","1998","54","1","116","119","10.1107/S0108270197012109","","","0.7107","MoKα","","","0.037","","","","0.103","","","","","","1.078","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006972","7.675","0.001","25.4","0.007","7.27","0.002","90","","90","","90","","1417.3","0.6","295.2","","295.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H15 Cl N4 O4 Pt -","- C9 H15 Cl N4 O4 Pt -","- C36 H60 Cl4 N16 O16 Pt4 -","4","1","TA1154","Restrepo, Gerson F.; Barnes, Charles L.; Cádiz, Mayra E.; Olivero, Eneida; Huang, Songping D.","<i>cis</i>-Diamminechloro(2,5-dimethylbenzoxazole-<i>N</i>^1^)platinum(II) Nitrate","Acta Crystallographica Section C","1998","54","1","15","16","10.1107/S0108270197011116","","","0.7107","MoKα","","","0.029","","","0.033","","","","","1.282","1.282","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007053","16.509","0.0015","8.2204","0.0008","12.7283","0.0012","90","","90","","90","","1727.4","0.3","160","2","160","2","","","","","","","","3","P n a 21","P 2c -2n","33","","diphenylzirconocene","","- C22 H20 Zr -","- C22 H20 Zr -","- C88 H80 Zr4 -","4","1","AB1533","Clegg, William; Horsburgh, Lynne; Lindsay, David M.; Mulvey, Robert E.","Diphenylzirconocene","Acta Crystallographica Section C","1998","54","3","315","317","10.1107/S0108270197019343","","","0.71073","MoKα","","0.0236","0.0222","","","","0.0585","","","","","","1.088","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007114","15.896","0.002","11.1691","0.0005","10.365","0.001","90","","90","","90","","1840.2","0.3","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Chloro[N,N',N''-trimethyl-1,5,9-triazacyclododecane] Zinc(II) Hexafluorophosphate.","","- C12 H27 Cl F6 N3 P Zn -","- C12 H27 Cl F6 N3 P Zn -","- C48 H108 Cl4 F24 N12 P4 Zn4 -","4","1","MU1373","Alcock, Nathaniel W.; Clase, Howard J.; Siltchenko, Svetlana; Rybak-Akimova, Elena; Busch, Daryle H.","Chloro(<i>N</i>,<i>N</i>',<i>N</i>''-trimethyl-1,5,9-triazacyclododecane-κ^3^<i>N</i>)zinc(II) Hexafluorophosphate","Acta Crystallographica Section C","1998","54","3","338","340","10.1107/S0108270197015187","","","0.71073","MoKα","","0.0189","0.0171","","","","0.0427","","","","","","1.032","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007144","19.27","0.004","14.819","0.004","11.392","0.004","90","","90","","90","","3253.2","1.3","296","","296","","","","","","","","","3","P n a 21","P 2c -2n","33","phenolphthalein","","","- C20 H14 O4 -","- C20 H14 O4 -","- C160 H112 O32 -","8","2","","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenolphthalein and 3',3''-Dinitrophenolphthalein","Acta Crystallographica, Section C: Crystal Structure Communications","1998","54","4","535","539","10.1107/s0108270197015771","","","","","","","","","","","","","","","","","","","","","has coordinates","209653","2020-10-21","18:00:00",""
"2007170","12.558","0.004","5.4771","0.0015","23.207","0.005","90","","90","","90","","1596.2","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Di(4-nitrobenzenesulfonyl)amine Monohydrate","","- C12 H11 N3 O9 S2 -","- C12 H11 N3 O9 S2 -","- C48 H44 N12 O36 S8 -","4","1","FG1400","Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. C. Bis(4-nitrobenzenesulfonyl)amine Monohydrate","Acta Crystallographica Section C","1998","54","4","504","507","10.1107/S0108270197016314","","","0.71073","MoKα","","0.0387","0.0323","","0.074","0.0724","","","","1.063","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007200","14.266","0.002","13.528","0.001","11.747","0.001","90","","90","","90","","2267.1","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9-(4-DIMETHYLAMINOPHENYL) 3,4,6,9,10-HEXAHYDRO 2,2,8,8-TETRAMETHYL 1,8(2H,5H)-ACRIDINE DIONE","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C100 H128 N8 O8 -","4","1","VJ1060","V.K. Ganesh; D.Velmurugan; M.Bidya Sagar; P.Murugan","9-(4-Dimethylaminophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1998","54","4","557","559","10.1107/S0108270197016727","","","0.71073","MoKα","","0.1029","0.0565","","0.1507","0.1261","","","","1.032","1.126","1.126","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007245","33.354","0.007","10.26","0.002","17.4","0.004","90","","90","","90","","5954","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-closo-dodecaborane","","- C20.5 H46 B9 Cl P2 Pt -","- C20.5 H46 B9 Cl P2 Pt -","- C164 H368 B72 Cl8 P16 Pt8 -","8","2","MU1341","Thomas, Rhodri Ll.; Welch, Alan J.; Kyd, Gwenda O.","1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-<i>closo</i>-dodecaborane 0.5-Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","5","588","591","10.1107/S0108270197017204","","","0.71073","MoKα","","0.051","0.033","","0.08","0.075","","","","1.063","1.088","1.088","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007252","13.186","0.006","5.279","0.001","27.288","0.004","90","","90","","90","","1899.5","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Diaquachlorobis(pyridinioacetato)copper(II) perchlorate","","- C14 H18 Cl2 Cu N2 O10 -","- C14 H18 Cl2 Cu N2 O10 -","- C56 H72 Cl8 Cu4 N8 O40 -","4","1","MU1368","Wu, Yu-Luan; Tong, Ye-Xiang; Chen, Xiao-Ming; Mak, Thomas C. W.","Diaquachlorobis(4-pyridinioacetate-<i>O</i>)copper(II) Perchlorate","Acta Crystallographica Section C","1998","54","5","606","608","10.1107/S0108270197017216","","","0.71073","MoKα","","0.0442","0.0346","","0.0827","0.0773","","","","1.077","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007282","8.313","0.005","17.486","0.007","10.566","0.005","90","","90","","90","","1535.9","1.3","301","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetraethylammonium Dicopper Triiodide","","- C8 H20 Cu2 I3 N -","- C8 H20 Cu2 I3 N -","- C32 H80 Cu8 I12 N4 -","4","1","SX1046","Aliya K. Nurtaeva; Gary Hu; Elizabeth M. Holt","Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","597","600","10.1107/S0108270197017496","","","0.71073","MoKα","","","0.047","","","","0.053","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007292","10.665","0.005","7.219","0.002","23.662","0.003","90","","90","","90","","1821.8","1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Neodymium diselenite seleniousf acid dihydrate","","- H6 Nd2 O20 Se7 -","- H6 Nd2 O20 Se7 -","- H24 Nd8 O80 Se28 -","4","1","AB1466","Miluvka Stancheva; Rosica Petrova; Josef Macíček","Neodymium Diselenite Selenious Acid Dihydrate: Structure and Conformation of the Se~2~O~5~ Group","Acta Crystallographica Section C","1998","54","6","699","701","10.1107/S0108270197019318","","","0.71069","MoKα","","0.0321","0.0277","","","","0.0708","","","","","","0.897","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007340","7.393","0.002","13.069","0.004","17.855","0.005","90","","90","","90","","1725.1","0.9","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","FULGID-4","ethyl 3,3-dimethyl-2-(3-phenyl-1-indenone-2-yl)acrylate","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","HA1199","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","Ethyl 3,3-Dimethyl-2-(1-oxo-3-phenylinden-2-yl)acrylate","Acta Crystallographica Section C","1998","54","6","849","851","10.1107/S010827019701843X","","","0.71073","MoKα","","0.082","0.063","","0.171","0.149","","","","1.069","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007365","17.02","0.004","13.906","0.003","5.811","0.001","90","","90","","90","","1375.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N4 O3 -","- C13 H14 N4 O3 -","- C52 H56 N16 O12 -","4","1","","Modec, Barbara; Papoular, Robert; Brenčič, Jurij V.","Bis(pyridinium) Pentachloro(pyridine-N)molybdate(III)","Acta Crystallographica Section C","1998","54","","736","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2007394","17.492","0.004","10.839","0.002","5.753","0.001","90","","90","","90","","1090.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N2 Se2 -","- C10 H8 N2 Se2 -","- C40 H32 N8 Se8 -","4","1","TA1189","Dunne, Simon, J.; von Nagy-Felsobuki, Ellak, I.; Mackay, Maureen, F.","An Orthorhombic Polymorph of 2,2'-Dipyridyl Diselenide","Acta Crystallographica Section C","1998","54","6","887","889","10.1107/S0108270197018118","","","1.5418","CuKα","","0.0331","0.0321","","0.0878","0.0867","","","","1.108","1.124","1.124","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007397","15.575","0.005","8.455","0.005","22.745","0.005","90","","90","","90","","2995","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Bis(pyridine-2-ylmethyl)amine)iron(III)chloride","","- C12 H13 Cl3 Fe N3 -","- C12 H13 Cl3 Fe N3 -","- C96 H104 Cl24 Fe8 N24 -","8","2","VJ1072","K. R. Justin Thomas; Marappan Velusamy; Mallayan Palaniandavar","A Polymorph of Bis(2-pyridylmethyl)amine Iron(III) Chloride","Acta Crystallographica Section C","1998","54","6","741","743","10.1107/S0108270197016624","","","0.71073","MoKα","","0.0525","0.0332","","0.1475","0.0863","","","","1.109","0.986","0.986","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007413","8.052","0.003","6.632","0.005","9.815","0.002","90","","90","","90","","524.1","0.5","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- As Li3 S3 -","- As Li3 S3 -","- As4 Li12 S12 -","4","1","BR1180","Seung,Do-Young; Gravereau,Pierre; Trut,Louis; Levasseur,Alain","Li~3~AsS~3~","Acta Crystallographica Section C","1998","54","7","900","902","10.1107/S0108270198001103","","","0.7107","MoKα","","","0.051","","","","0.1017","","","","","","1.182","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007519","12.5595","0.0003","18.7907","0.0007","10.375","0.002","90","","90","","90","","2448.5","0.5","180","","180","","","","","","","","","3","P n a 21","P 2c -2n","33","","(RS,RS)-1,2-(1-Dinaphthyl)-1,2-diphenyl-ethan-1,2-diol","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","FG1438","Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C.","α-Naphthyl Phenyl Pinacols","Acta Crystallographica Section C","1998","54","8","1148","1151","10.1107/S0108270198002777","","","0.7107","MoKα","","0.072","0.044","","","","0.113","","","1.3","","","1.3","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007571","11.675","0.001","14.738","0.002","6.261","0.001","90","","90","","90","","1077.3","0.2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-[[(2-Aminoethyl)imino]methyl]-4-hydroxybenzoic acid 0.28 hydrate","","- C10 H12.56 N2 O3.28 -","- C10 H12 N2 O3.277 -","- C40 H48 N8 O13.108 -","4","1","SX1066","Whitener, Mark A.; de Freitas, Cyrene Bolt; Zavaleta, Andres","3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic Acid 0.28-Hydrate","Acta Crystallographica Section C","1998","54","8","1119","1121","10.1107/S010827019800273X","","","0.71073","MoKα","","0.07","0.043","","0.119","0.104","","","","1.056","1.127","1.127","","","","","has coordinates","194049","2020-10-21","18:00:00",""
"2007577","8.012","0.003","7.638","0.003","10.842","0.005","90","","90","","90","","663.5","0.5","295","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ammonium hydroxypropanedioate","","- C3 H10 N2 O5 -","- C3 H10 N2 O5 -","- C12 H40 N8 O20 -","4","1","AV1017","Taka, Jun-ichiro; Kashino, Setsuo","Potassium Tartronate and Ammonium Tartronate","Acta Crystallographica Section C","1998","54","9","1257","1259","10.1107/S0108270198004065","","","0.71073","MoKα","","","0.039","","","","0.038","","","","","","1.26","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007704","9.058","0.002","15.312","0.003","8.27","0.002","90","","90","","90","","1147","0.4","178","2","178","2","","","","","","","","4","P n a 21","P 2c -2n","33","","trans-3,5-Diethoxy-3,5-dioxo-1-oxa-3,5-diphosphorinane","","- C7 H16 O5 P2 -","- C7 H16 O5 P2 -","- C28 H64 O20 P8 -","4","1","BM1250","Jones, Peter G.; Weinkauf, Andreas","<i>cis</i>- and <i>trans</i>-3,5-Diethoxy-1-oxa-3,5-diphosphorinane-3,5-dione","Acta Crystallographica Section C","1998","54","10","1453","1456","10.1107/S0108270198006155","","","0.71073","MoKα","","0.036","0.03","","0.08","0.076","","","","1.027","1.033","1.033","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007731","11.0034","0.0002","27.2848","0.0004","6.7194","0.0001","90","","90","","90","","2017.34","0.06","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","1,1-Bis-(N-Methylimidazol)-silacyclohexane dibromide acetonitrile solvate","","- C15 H25 Br2 N5 Si -","- C15 H25 Br2 N5 Si -","- C60 H100 Br8 N20 Si4 -","4","1","JZ1295","Hensen, Karl; Gebhardt, Frank; Bolte, Michael","3,3'-(1-Silacyclohexane-1,1-diyl)bis(1-methylimidazolium) Dibromide Acetonitrile Solvate at 173K","Acta Crystallographica Section C","1998","54","10","1462","1464","10.1107/S0108270198006763","","","0.71073","MoKα","","0.073","0.065","","0.172","0.164","0.172","","","1.01","","","1.01","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007814","22.8039","0.0011","10.334","0.0008","26.1543","0.0015","90","","90","","90","","6163.4","0.7","296","1","296","1","","","","","","","","7","P n a 21","P 2c -2n","33","","(μ-κO,O'-1,9-(2,4-pentanedioneimino)-3,7-dithianonane)- bis(bromotri(p-tolyl)tin(IV))","","- C59 H72 Br2 N2 O2 S2 Sn2 -","- C59 H72 Br2 N2 O2 S2 Sn2 -","- C236 H288 Br8 N8 O8 S8 Sn8 -","4","1","FR1121","Bajue, Stanley A.; Bramwell, Fitzgerald B.; Brock, Carolyn Pratt; Bontemps, Jeuneviette","2:1 Adducts of Halotris(<i>p</i>-tolyl)tin(IV) with 1,9-Bis(4-oxopent-2-en-2-ylamino)-3,7-dithianonane","Acta Crystallographica Section C","1998","54","11","1618","1622","10.1107/S0108270198006209","","","0.71073","MoKα","","0.158","0.044","","0.131","0.101","","","","1.01","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007815","22.7565","0.0012","10.3774","0.0011","26.752","0.003","90","","90","","90","","6317.6","1","296","1","296","1","","","","","","","","7","P n a 21","P 2c -2n","33","","(μ-κO,O'-1,9-(2,4-pentanedioneimino)-3,7-dithianonane)- bis(iodotri(p-tolyl)tin(IV))","","- C59 H72 I2 N2 O2 S2 Sn2 -","- C59 H72 I2 N2 O2 S2 Sn2 -","- C236 H288 I8 N8 O8 S8 Sn8 -","4","1","FR1121","Bajue, Stanley A.; Bramwell, Fitzgerald B.; Brock, Carolyn Pratt; Bontemps, Jeuneviette","2:1 Adducts of Halotris(<i>p</i>-tolyl)tin(IV) with 1,9-Bis(4-oxopent-2-en-2-ylamino)-3,7-dithianonane","Acta Crystallographica Section C","1998","54","11","1618","1622","10.1107/S0108270198006209","","","0.71073","MoKα","","0.096","0.028","","0.073","0.054","","","","1.04","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008050","23.93","0.002","12.5245","0.0011","11.903","0.002","90","","90","","90","","3567.5","0.7","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","A complex of 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole and diphenyltin(IV) dichloride monohydrate","","- C30 H30 B2 Cl2 N12 O Sn -","- C30 H30 B2 Cl2 N12 O Sn -","- C120 H120 B8 Cl8 N48 O4 Sn4 -","4","1","BM1258","Dey, Dilip Kumar; Das, Mrinal Kanti; Chinnakali, Kandasamy; Fun, Hoong-Kun; Razak, Ibrahim Abdul","An adduct of aquadichlorodiphenyltin(IV) and 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole","Acta Crystallographica Section C","1999","55","1","20","22","10.1107/S0108270198009780","","","0.71073","MoKα","","0.068","0.039","","0.088","0.081","","","","0.887","1.01","1.01","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2008075","21.479","0.004","10.569","0.002","16.807","0.003","90","","90","","90","","3815.4","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Trans-carbonylchlorobis(tri-p-tolylphosphine)rhodium(I)","","- C43 H42 Cl O P2 Rh -","- C43 H42 Cl O P2 Rh -","- C172 H168 Cl4 O4 P8 Rh4 -","4","1","GD1000","Otto, Stefanus; Mzamane, Sibusisiwe N.; Roodt, Andreas","<i>trans</i>-Carbonylchlorobis(tri-<i>p</i>-tolylphosphine)rhodium(I)","Acta Crystallographica Section C","1999","55","1","67","69","10.1107/S0108270198011603","","","0.71073","MoKα","","0.0416","0.0314","","","","0.0646","","","","","","1.163","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008137","24.1291","0.0003","8.4281","0.0001","20.6083","0.0003","90","","90","","90","","4190.95","0.09","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tetra(acetonitrile-N)lithium perchlorate","","- C8 H12 Cl Li N4 O4 -","- C8 H12 Cl Li N4 O4 -","- C96 H144 Cl12 Li12 N48 O48 -","12","3","DA1013","Yokota, Yasuno; Young Jr, Victor G.; Verkade, John G.","The homoleptic lithium complex [Li(CH~3~CN)~4~]ClO~4~","Acta Crystallographica Section C","1999","55","2","196","198","10.1107/S0108270198011834","","","0.71073","MoKα","","0.083","0.057","","","","0.116","","","","1.113","1.113","1.053","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008187","13.151","0.003","3.923","0.001","5.762","0.001","90","","90","","90","","297.27","0.11","40","2","40","2","","","","","","","","3","P n a 21","P 2c -2n","33","Acetic acid","Ethanoic acid","","- C2 H4 O2 -","- C2 H4 O2 -","- C8 H16 O8 -","4","1","QA0082","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Acetic acid at 40K","Acta Crystallographica Section C","1999","55","2","IUC9900001","","10.1107/S0108270199099862","","","0.71073","MoKα","","0.0413","0.0397","","","","0.0986","","","","","","1.131","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008216","8.4793","0.0002","22.5318","0.001","9.7774","0.0003","90","","90","","90","","1868.01","0.11","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","Tris(2-aminobenzyl)amine","","- C21 H24 N4 -","- C21 H24 N4 -","- C84 H96 N16 -","4","1","BM1283","Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.","Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines","Acta Crystallographica Section C","1999","55","3","373","377","10.1107/S0108270198013857","","","1.5418","CuKα","","0.03","0.029","","0.031","0.03","","","","0.901","","","0.891","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008332","20.5254","0.0013","15.1311","0.001","6.1276","0.0004","90","","90","","90","","1903.1","0.2","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Cyano-5-(4-methoxybenzyl)-6-(4-methoxyphenyl)-4-methylthio-2H-pyran-2-one","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","CF1285","Kumar, Rajesh; Parmar, Virinder S.; Errington, William","3-Cyano-5-(4-methoxybenzyl)-6-(4-methoxyphenyl)-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1999","55","4","561","563","10.1107/S0108270198015121","","","0.71073","MoKα","","0.067","0.047","","","","0.094","","","","","","1.049","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008359","12.5684","0.0009","14.4723","0.001","6.1016","0.0009","90","","90","","90","","1109.8","0.2","150","2","150","2","","","","","","","","2","P n a 21","P 2c -2n","33","Acefluoranthylene","Cyclopenta[cd]fluoranthene","","- C18 H10 -","- C18 H10 -","- C72 H40 -","4","1","GD1006","Lutz, Martin; Spek, Anthony L.; Sarobe, Martin; Jenneskens, Leonardus W.","Acefluoranthylene","Acta Crystallographica Section C","1999","55","4","659","661","10.1107/S0108270198013298","","","0.71073","MoKα","","0.04","0.034","","","","0.089","","","","","","1.024","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008431","16.169","0.002","7.6796","0.0009","14.153","0.002","90","","90","","90","","1757.4","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","tris(ethylenediamine)-nickel(II)tetrathiomolybdate","","","- C6 H24 Mo N6 Ni S4 -","- C6 H24 Mo N6 Ni S4 -","- C24 H96 Mo4 N24 Ni4 S16 -","4","1","SK1258","Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang","Tris(ethylenediamine-<i>N</i>,<i>N</i>')nickel(II) tetrathiomolybdate","Acta Crystallographica Section C","1999","55","4","501","503","10.1107/S0108270198016461","","","0.71073","MoKα","","0.039","0.021","","0.05","0.046","","","","1.01","1.044","1.044","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008445","7.3239","0.0014","9.8199","0.0014","13.738","0.003","90","","90","","90","","988","0.3","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,2,4-Triazolium Di(methanesulfonyl)amidate","","- C4 H10 N4 O4 S2 -","- C4 H10 N4 O4 S2 -","- C16 H40 N16 O16 S8 -","4","1","BM1307","Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CIX. 1,2,4-Triazolium di(methanesulfonyl)amidate","Acta Crystallographica Section C","1999","55","5","754","756","10.1107/S0108270199000426","","","0.71073","MoKα","","0.0204","0.0199","","","","0.0549","","","","","","1.068","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008457","13.887","0.001","7.162","0.001","32.124","0.003","90","","90","","90","","3195","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[3-(tosyloxy)-propoxy]benzaldehyde","","- C17 H18 O5 S -","- C17 H18 O5 S -","- C136 H144 O40 S8 -","8","2","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.089","0.049","","","","0.11","","","","","","0.91","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008480","13.5557","0.0013","9.8241","0.0009","17.604","0.002","90","","90","","90","","2344.4","0.4","295","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichloro(pentamethylcyclopentadienyl)(2,6-diisopropylaniline)rhodium(III)","","- C22 H34 Cl2 N Rh -","- C22 H34 Cl2 N Rh -","- C88 H136 Cl8 N4 Rh4 -","4","1","NA1385","Lee, Soon W.; Lee, Jae-Gyung","Dichloro(2,6-diisopropylaniline-<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III)","Acta Crystallographica Section C","1999","55","5","722","724","10.1107/S0108270198014693","","","0.71073","MoKα","","","0.0232","","","","0.0611","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008596","24.0723","0.0005","6.6483","0.0001","5.3569","0.0001","90","","90","","90","","857.32","0.03","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","OA1071","Hoong-Kun Fun; Ping Yang; Minoru Sasaki; Masasi Inoue; Hideoki Kadomatsu","γ-Mo~4~O~11~","Acta Crystallographica Section C","1999","55","6","841","843","10.1107/S0108270199000165","","","0.71073","MoKα","","0.039","0.038","","0.093","0.092","","","","1.293","1.292","1.292","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008603","9.3229","0.0003","9.2536","0.0001","14.0823","0.0004","90","","90","","90","","1214.89","0.05","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","μ-oxalato-O,O',O'', O''')(2,2'-bipyridine-N,N')Fe(II)","","- C12 H8 Fe N2 O4 -","- C12 H8 Fe N2 O4 -","- C48 H32 Fe4 N8 O16 -","4","1","OS1041","Fun, Hoong-Kun; Shanmuga Sundara Raj, S.; Fang, Xia; Zheng, Li-Min; Xin, Xin-Quan","<i>catena</i>-Poly[[(2,2'-bipyridine)iron(II)]-μ-oxalato]","Acta Crystallographica Section C","1999","55","6","903","905","10.1107/S0108270199001924","","","0.71073","MoKα","","0.13","0.057","","0.092","0.072","","","","1.112","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008859","20.999","0.001","14.397","0.0005","12.648","0.004","90","","90","","90","","3823.8","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-acetyltetrahydro-4-methyl-2,4-diphenyl-5H-1,5-benzodiazepine","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C192 H192 N16 O8 -","8","2","VJ1098","Laavanya, P.; Panchanatheswaran, K.; Venkatraj, M.; Jeyaraman, R.; Marshall, W.","1-Acetyl-1,2,3,4-tetrahydro-4-methyl-2,4-diphenyl-5<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section C","1999","55","8","1355","1357","10.1107/S0108270199004722","","","0.71069","MoKα","","0.0565","0.0504","","","","0.1251","","","","","","1.222","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009300","8.9483","0.0014","27.469","0.005","9.111","0.002","90","","90","","90","","2239.5","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole/ethyl acetate(3:1)","","- C24.33 H21.67 N3 O4.67 -","- C24.32 H19 N3 O4.66 -","- C97.28 H76 N12 O18.64 -","4","1","OB1019","Inouye, Yoshinobu; Shimokoshi, Shuko; Sakaino, Yoshiko","An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","12","2084","2087","10.1107/S0108270199011087","","","0.71073","MoKα","","0.189","0.077","","0.256","","0.182","","","1.192","","","1.403","","","warnings","has coordinates,has disorder","249443","2020-10-21","18:00:00",""
"2009301","8.896","0.001","26.771","0.005","9.209","0.002","90","","90","","90","","2193.2","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C92 H76 N12 O16 -","4","1","OB1019","Inouye, Yoshinobu; Shimokoshi, Shuko; Sakaino, Yoshiko","An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","12","2084","2087","10.1107/S0108270199011087","","","0.71073","MoKα","","0.225","0.065","","0.213","","0.142","","","0.95","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009390","6.875","0.001","9.036","0.001","21.676","0.002","90","","90","","90","","1346.6","0.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","APDA","8-(4-Acetylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","HL1039","Ogawa, Keiichiro; Kaji, Makoto; Kagawa, Hiroyuki; Sagawa, Masakazu; Kakuta, Atsushi","Structure of 8-(4-acetylphenyl)-1,4-dioxa-8-azaspiro[4,5]decane: a new potential nonlinear optical material","Acta Crystallographica Section C","1994","50","1","95","97","10.1107/S0108270193007917","","","1.54184","xray_tube","","0.052","0.051","","0.067","0.067","","","","3.504","3.575","3.575","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009407","14.758","0.003","22.038","0.004","8.977","0.002","90","","90","","90","","2919.7","1","160","1","160","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H26 I3 In P2 -","- C26 H26 I3 In P2 -","- C104 H104 I12 In4 P8 -","4","1","MU1062","Clegg, William; Norman, Nicholas C.; Pickett, Nigel L.","Structures of the indium trihalide bisphosphine complexes of [InBr~3~(PMe~2~Ph)~2~] and [InI~3~(PMePh~2~)~2~]","Acta Crystallographica Section C","1994","50","1","36","38","10.1107/S010827019300695X","","","0.71073","MoKα","","0.0424","0.0316","","0.112","0.0964","","","","1.119","1.061","1.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009459","11.201","0.005","19.601","0.004","8.368","0.003","90","","90","","90","","1837.2","1.1","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Benzoyl-2-hydroxy-6-phenyl-2,4-bis(trifluoromethyl)-α-pyran","","- C20 H12 F6 O3 -","- C20 H12 F6 O3 -","- C80 H48 F24 O12 -","4","1","HU1059","Pritchard, R. G.; Tajammal, S.; Tipping, A. E.","(<i>E</i>)-1,3-Dibenzoyl-2-trifluoromethylpropene and 3-benzoyl-6-phenyl-2,4-bis(trifluoromethyl)-2<i>H</i>-pyran-2-ol: novel products from the oxidation of 1-phenyl-4,4,4-trifluorobut-2-yn-1-ol with active manganese(IV) oxide","Acta Crystallographica Section C","1994","50","2","294","297","10.1107/S0108270193009047","","","0.71069","MoKα","","","0.0445","","","0.0393","","","","","2.6","2.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009463","14.645","0.002","20.891","0.005","5.404","0.002","90","","90","","90","","1653.3","0.8","296","","296","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Trans-1,2,3-tris(3-thienoyl)cyclopropane","","- C18 H12 O3 S3 -","- C22 H9 O3 S4 -","- C88 H36 O12 S16 -","4","1","LI1065","Antonio Saba","Synthesis and structure of <i>trans</i>-1,2,3-tris(3-thenoyl)cyclopropane","Acta Crystallographica Section C","1994","50","2","271","274","10.1107/S0108270193008820","","","1.54178","X-rayCuKα","","","0.054","","","0.067","","","","","1.96","1.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009610","22.535","0.015","10.322","0.005","5.923","0.003","90","","90","","90","","1377.7","1.3","300","1","300","1","","","","","","","","4","P n a 21","P 2c -2n","33","","dipotassium hydrogenphosphate","","- H K2 O4 P -","- H K2 O4 P -","- H12 K24 O48 P12 -","12","3","DU1064","Lis, Tadeusz","Isomorphous crystals: K~2~HPO~4~ and K~5~Na(HPO~4~)~3~","Acta Crystallographica Section C","1994","50","4","484","487","10.1107/S0108270193011023","","","0.71069","MoKα","","","0.032","","","0.029","","","","","2.08","2.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009611","22.402","0.015","9.979","0.005","5.822","0.003","90","","90","","90","","1301.5","1.3","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","pentapotassium sodium trihydrogenphosphate","","- H3 K5 Na O12 P3 -","- H3 K5 Na O12 P3 -","- H12 K20 Na4 O48 P12 -","4","1","DU1064","Lis, Tadeusz","Isomorphous crystals: K~2~HPO~4~ and K~5~Na(HPO~4~)~3~","Acta Crystallographica Section C","1994","50","4","484","487","10.1107/S0108270193011023","","","0.71069","MoKα","","","0.0256","","","0.0298","","","","","1.07","1.07","","","","","has coordinates","288322","2023-12-14","18:32:15",""
"2009734","21.647","0.005","11.738","0.002","11.415","0.003","90","","90","","90","","2900.5","1.1","293","","","","","","","","","","","6","P n a 21","P 2c -2n","","","","","- C22 H34 N8 O4 P2 S2 -","- C22 H34 N8 O4 P2 S2 -","- C88 H136 N32 O16 P8 S8 -","4","1","SH1063","Engelhardt, U.; Rosefid, M.","Ein Zwölfring mit Phosphor(V), Kohlenstoff und Dimethylhydrazin als Ringbausteinen und grossen endocyclischen Torsionswinkeln um die N‒N-Bindungen","Acta Crystallographica Section C","1994","50","5","775","777","10.1107/S0108270193008844","","","0.71069","MoKα","","","0.053","","","0.031","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009804","18.883","0.005","6.1671","0.0008","13.087","0.002","90","","90","","90","","1524","0.5","293","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","PA1067","Rodier, N.; Robert-Piessard, S.; Robert, J.-M.; Baut, G. Le.","4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-phényl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1994","50","6","955","957","10.1107/S0108270193010339","","","1.5418","CuKα","","","0.054","","","0.052","","","","","1.87","1.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009826","17.887","0.002","3.719","0.001","7.675","0.002","90","","90","","90","","510.6","0.2","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","ammonium salt of nitroacetamide","ammonium acetamide-2-nitronate","","- C2 H7 N3 O3 -","- C2 H7 N3 O3 -","- C8 H28 N12 O12 -","4","1","AB1110","Simonsen, Ole; Jørgensen, Pia Nørregaard","Ammonium salt of nitroacetamide","Acta Crystallographica Section C","1994","50","7","1148","1149","10.1107/S010827019400096X","","","0.71069","MoKα","","0.042","0.036","","0.027","0.027","","","","3.076","3.271","3.271","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009887","12.769","0.004","15.826","0.01","9.431","0.01","90","","90","","90","","1906","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","dichloro(cyclohexylphosphine-P)-η^6^-p-cymeneruthenium(II)","","- C16 H27 Cl2 P Ru -","- C16 H27 Cl2 P Ru -","- C64 H108 Cl8 P4 Ru4 -","4","1","NA1074","Van der Maelen Uría, Juan F.; García-Granda, Santiago; Cabeza, Javier A.; del Río, I.","[RuCl~2~(PH~2~Cy)(η^6^-<i>p</i>-cymene)]","Acta Crystallographica Section C","1994","50","7","1064","1065","10.1107/S0108270194001083","","","0.71073","MoKα","","0.0369","0.0227","","0.0634","0.0609","","","","1.023","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010065","16.628","0.005","10.573","0.002","6.559","0.006","90","","90","","90","","1153.1","1.1","293","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C48 H40 Cl4 N12 O4 -","4","1","PA1069","Magueres, P.Le.; Ouahab, L.; Hocquet, A.; Fournier, J.","Structures of (1) <i>N</i>-(2-pyridyl)-, (2) <i>N</i>-(3-pyridyl)- and (3) <i>N</i>-(4-pyridyl)-<i>N</i>'-(4-chlorophenyl)urea","Acta Crystallographica Section C","1994","50","9","1507","1511","10.1107/S0108270193013885","","","0.71073","MoKα","","","0.033","","","0.037","","","","","1.464","1.464","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010107","14.174","0.003","12.132","0.002","3.828","0.001","90","","90","","90","","658.3","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","γ-resorcylic acid","2,6-Dihydroxybenzoic Acid","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","1","KA1067","Gdaniec, M.; Gilski, M.; Denisov, G.S.","γ-Resorcylic acid, its monohydrate and its pyridinium complex","Acta Crystallographica Section C","1994","50","10","1622","1626","10.1107/S0108270194000557","","","1.54178","CuKα","","0.0351","0.0326","","0.0915","0.0901","","","","1.157","1.189","1.189","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010209","7.487","0.001","19.6","0.002","11.287","0.001","90","","90","","90","","1656.3","0.3","295","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","LI1076","Ondracek, J.; Novotny, J.; Petru, M.; Lhotak, P.; Kuthan, J.","2,4,6-Triphenylpyridine","Acta Crystallographica Section C","1994","50","11","1809","1811","10.1107/S0108270194002441","","","0.71073","MoKα","","","0.039","","","0.039","","","","","0.35","0.35","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010232","11.057","0.003","12.937","0.002","13.639","0.004","90","","90","","90","","1951","0.8","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H23 B10 P -","- C15 H23 B10 P -","- C60 H92 B40 P4 -","4","1","AB1140","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.","1-Diphenylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1994","50","12","2027","2030","10.1107/S0108270194003306","","","0.71069","MoKα","","","0.048","","","0.047","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010268","11.341","0.004","15.692","0.006","8.479","0.003","90","","90","","90","","1508.9","0.9","295","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H22 Br N O3 -","- C14 H22 Br N O3 -","- C56 H88 Br4 N4 O12 -","4","1","CR1117","Garcia, J.G.; Fronzek, F.R.; Gandour, R.D.","Two dimethylmorpholinium bromides","Acta Crystallographica Section C","1994","50","12","2022","2025","10.1107/S0108270194004518","","","0.71073","MoKα","","","0.0464","","","0.0468","","","","","2.176","2.176","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010271","19.132","0.002","6.717","0.001","3.891","0.002","90","","90","","90","","500","0.3","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","1-methylurazole","1-methyl-1,2,4-triazolidine-3,5-dione","","- C3 H5 N3 O2 -","- C3 H5 N3 O2 -","- C12 H20 N12 O8 -","4","1","CR1122","Meyers, Cal Y.; Lutfi, Hisham G.; Kolb, Vera M.; Robinson, Paul D.","Racemic 1-methyl-1,2,4-triazolidine-3,5-dione (1-methylurazole). Definitive characterization of pyramidal hydrazide N atoms and racemate intermolecular hydrogen bonding","Acta Crystallographica Section C","1994","50","12","1925","1928","10.1107/S010827019400449X","","","0.71069","MoKα","","","0.026","","","0.032","","","","","1.47","1.47","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010290","19.263","0.01","3.886","0.003","5.902","0.003","90","","90","","90","","441.8","0.5","150","0.2","150","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","α-pyrone","α-pyrone","","- C5 H4 O2 -","- C5 H4 O2 -","- C20 H16 O8 -","4","1","HA1121","Blake, Alexander J.; Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon","α-Pyrone at 150 K","Acta Crystallographica Section C","1994","50","12","1938","1940","10.1107/S0108270194007225","","","0.71073","MoKα","","0.0544","0.047","","0.2149","0.1535","","","","1.242","1.251","1.251","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010695","17.0016","0.001","10.654","0.001","15.9038","0.001","90","","90","","90","","2880.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine dimethylformamide","","- C12 H15 F N6 O -","- C12 H15 F N6 O -","- C96 H120 F8 N48 O8 -","8","2","BM1376","Janes, Robert W.","3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine‒dimethylformamide (1/1)","Acta Crystallographica Section C","2000","56","3","362","364","10.1107/S0108270199015607","","","1.54178","CuKα","","0.0824","0.0525","","","","0.1665","","","","","","1.129","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2010745","13.26","0.02","6.677","0.007","10.766","0.007","90","","90","","90","","953.2","1.9","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","RTA","","","- As O5 Rb Ti -","- As O5 Rb Ti -","- As8 O40 Rb8 Ti8 -","8","2","QA0218","Nordborg, Jenni; Svensson, Göran; Albertsson, Jörgen","A single-crystal neutron diffraction study of RbTiOAsO~4~","Acta Crystallographica Section C","2000","56","3","e73","e74","10.1107/S0108270100001505","","neutron","1.207","neutron","","0.036","0.034","","0.033","","0.033","","","1.363","","","1.361","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010889","14.3618","0.0001","10.46","0.0001","7.5779","0.0001","90","","90","","90","","1138.39","0.02","190","2","190","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H16 B8 N2 -","- C5 H16 B8 N2 -","- C20 H64 B32 N8 -","4","1","BR1272","Price, Caroline; Dörfler, Udo; Kennedy, John D.; Thornton-Pett, Mark","Polyhedral azaborane chemistry, 6-(C~5~H~5~N)-<i>arachno</i>-4-NB~8~H~11~","Acta Crystallographica Section C","2000","56","5","600","601","10.1107/S0108270100002742","","","0.71073","MoKα","","0.0365","0.0348","","","","0.0931","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010930","13.4892","0.0003","6.8637","0.0001","10.6908","0.0001","90","","90","","90","","989.82","0.03","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","CTA","","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","OS1106","Nordborg, Jenni","Alkaline positions in CsTiOAsO~4~","Acta Crystallographica Section C","2000","56","5","518","520","10.1107/S010827010000130X","","","0.71073","MoKα","","0.082","0.038","","0.031","","0.026","","","1.887","","","1.993","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010931","13.4892","0.0003","6.8637","0.0001","10.6908","0.0001","90","","90","","90","","989.82","0.03","297","2","197","2","","","","","","","","4","P n a 21","P 2c -2n","33","CTA","","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","OS1106","Nordborg, Jenni","Alkaline positions in CsTiOAsO~4~","Acta Crystallographica Section C","2000","56","5","518","520","10.1107/S010827010000130X","","","0.71073","MoKα","","0.078","0.034","","0.029","","0.023","","","1.729","","","1.763","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010932","13.4623","0.0001","6.8484","0.0001","10.7075","0.0001","90","","90","","90","","987.18","0.019","183","1","183","1","","","","","","","","4","P n a 21","P 2c -2n","33","CTA","","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","OS1106","Nordborg, Jenni","Alkaline positions in CsTiOAsO~4~","Acta Crystallographica Section C","2000","56","5","518","520","10.1107/S010827010000130X","","","0.71073","MoKα","","0.096","0.043","","0.037","","0.03","","","1.879","","","1.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011006","11.788","0.002","6.6204","0.0016","25.057","0.003","90","","90","","90","","1955.5","0.6","293.2","","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 N3 O4 S -","- C21 H21 N3 O4 S -","- C84 H84 N12 O16 S4 -","4","1","GD1093","Zhao, Yuekun; Helliwell, Madeleine; Joule, John A.","The conversion of a pyrrole trimer derivative into a 4,5,6,7-tetrahydro-4-(pyrrol-2-yl)indol-7-yltosylaminoindole","Acta Crystallographica Section C","2000","56","6","714","715","10.1107/S0108270100003541","","","1.5418","CuKα","","0.0452","0.038","","","","0.1071","","","","","","1.066","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011013","18.1447","0.0004","12.3799","0.0003","10.8228","0.0003","90","","90","","90","","2431.12","0.1","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4,13-(1,8 octandioxy)-hexahelicen","","- C34 H30 O2 -","- C34 H30 O2 -","- C136 H120 O8 -","4","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","","0.0398","0.0391","","0.1122","","0.1112","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011018","12.52","0.02","6.944","0.001","12.919","0.001","90","","90","","90","","1123.2","1.8","123.2","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H22 B P -","- C9 H22 B P -","- C36 H88 B4 P4 -","4","1","OA1100","Atsushi Ohashi; Tsuneo Imamoto","1-<i>tert</i>-Butyl-2-methylphospholane‒borane and its coupling product 2,2'-bis(1-<i>tert</i>-butylphospholane‒borane)","Acta Crystallographica Section C","2000","56","6","723","725","10.1107/S0108270100004066","","","1.5418","CuKα","","","0.0391","","","","0.0495","","","","","","1.913","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011028","8.1341","0.0012","13.4171","0.0019","9.2291","0.0014","90","","90","","90","","1007.2","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H12 N4 -","- C9 H12 N4 -","- C36 H48 N16 -","4","1","QA0267","Xu, An-Wu; Cai, Yue-Peng; Su, Cheng-Yong; Liu, Hong-Ke","Tris(2-cyanoethyl)amine","Acta Crystallographica Section C","2000","56","6","e262","e262","10.1107/S0108270100006156","","","0.71073","MoKα","","0.047","0.033","","","","0.081","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011045","7","0.001","13.123","0.001","8.263","0.001","90","","90","","90","","759.05","0.15","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,5-diamino-4-nitropyridine N-oxide monohydrate","","- C5 H8 N4 O4 -","- C5 H8 N4 O4 -","- C20 H32 N16 O16 -","4","1","QA0293","Batsanov, Andrei S.","3,5-Difluoro-4-nitropyridine <i>N</i>-oxide and 3,5-diamino-4-nitropyridine <i>N</i>-oxide monohydrate","Acta Crystallographica Section C","2000","56","6","e269","e270","10.1107/S0108270100006636","","","0.71073","MoKα","","0.042","0.035","","","","0.0933","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011096","14.79","0.014","5.681","0.009","11.187","0.011","90","","90","","90","","940","2","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","2-Aminofluorene","2-Aminofluorene","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","DE1132","Steiner, Thomas","N—H···π hydrogen bonding in 2-aminofluorene","Acta Crystallographica Section C","2000","56","7","874","875","10.1107/S0108270100005035","","","0.71073","MoKα","","0.065","0.043","","","","0.128","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011185","14.9965","0.0007","4.217","0.0003","26.022","0.001","90","","90","","90","","1645.64","0.15","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","7-aza-IAA","7-azaindole-3-acetic acid","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C72 H64 N16 O16 -","8","2","AV1034","Antolić, Snježana; Kojić-Prodić, Biserka; Magnus, Volker","1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridine-3-acetic acid as a molecular probe for use in auxin physiology","Acta Crystallographica Section C","2000","56","8","1026","1027","10.1107/S0108270100007101","","","1.54184","CuKα","","0.106","0.041","","","","0.104","","","","","","0.908","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011213","22.736","0.005","30.654","0.006","8.799","0.002","90","","90","","90","","6132","2","150","2","","","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C49 H60 As4 Cl F12 N4 O5 P2 Re Ru -","- C49 H60 As4 Cl F12 N4 O5 P2 Re Ru -","- C196 H240 As16 Cl4 F48 N16 O20 P8 Re4 Ru4 -","4","1","GG1004","Coe, Benjamin J.; McDonald, Christopher I.; Coles, Simon J.; Hursthouse, Michael B.","<i>fac</i>,<i>trans</i>-[(2,2'-Bipyridine-<i>N</i>,<i>N</i>')tricarbonylrhenium(I)]-μ-(4,4'-bipyridine)-<i>N</i>:<i>N</i>'-{chlorobis[1,2-phenylenebis(dimethylarsine)]ruthenium(II)} bis(hexafluorophosphate) diacetone solvate","Acta Crystallographica Section C","2000","56","8","963","965","10.1107/S0108270100008076","","","0.71073","MoKα","","","0.0514","","","","0.1147","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","198632","2020-10-21","18:00:00",""
"2011237","7.513","0.0002","26.9091","0.0005","7.9141","0.0001","90","","90","","90","","1599.98","0.06","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Methoxy-4-hydroxyl-benzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone","","- C19 H14 N4 O2 -","- C19 H14 N4 O2 -","- C76 H56 N16 O8 -","4","1","NA1478","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming","4-Hydroxy-3-methoxybenzaldehyde 4,5-diazafluoren-9-ylidenehydrazone","Acta Crystallographica Section C","2000","56","8","1015","1016","10.1107/S0108270100007988","","","0.71073","MoKα","","0.0593","0.0405","","","","0.0932","","","","","","0.931","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011250","7.6624","0.0006","5.5762","0.0004","15.2489","0.0011","90","","90","","90","","651.54","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","phenylphosphinic acid","","- C6 H7 O2 P -","- C6 H7 O2 P -","- C24 H28 O8 P4 -","4","1","QA0333","Robert A. Burrow; David H. Farrar; Alan J. Lough; Márcia R. Siqueira; Fatima Squizani","Phenylphosphinic acid","Acta Crystallographica Section C","2000","56","8","e357","e358","10.1107/S0108270100009227","","","0.71073","MoKα","","0.049","0.038","","","","0.089","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011387","14.2386","0.0009","9.4823","0.0007","28.063","0.002","90","","90","","90","","3788.9","0.5","100","2","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","trans-Tetrachlorobis(N,N'-dimethylimidazolidine-2-thione)tellurium(IV)","","- C10 H20 Cl4 N4 S2 Te -","- C10 H20 Cl4 N4 S2 Te -","- C80 H160 Cl32 N32 S16 Te8 -","8","2","AV1048","Husebye, Steinar; Törnroos, Karl W.","<i>trans</i>-Tetrachlorobis(<i>N</i>,<i>N</i>'-dimethylimidazolidine-2-thione)tellurium(IV), a thiourea complex of tellurium with asymmetric Te—S bonds","Acta Crystallographica Section C","2000","56","10","1242","1244","10.1107/S0108270100009392","","","0.71073","MoKα","","0.029","0.026","","","","0.052","","","","","","1.182","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011445","27.981","0.006","15.523","0.003","8.9366","0.0018","90","","90","","90","","3881.6","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[tetrakis[μ-(3-methoxyphenyl)acetato-O:O']dicopper(II)]- μ-2-aminopyrimidine-N^1^:N^3^]","","- C40 H41 Cu2 N3 O12 -","- C40 H41 Cu2 N3 O12 -","- C160 H164 Cu8 N12 O48 -","4","1","QA0366","Lynch, Daniel E.; Duckhouse, Helen L.","<i>catena</i>-Poly[[tetrakis[μ-(3-methoxyphenyl)acetato-<i>O</i>:<i>O</i>']dicopper(II)]-μ-2-aminopyrimidine-<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2000","56","10","e425","e425","10.1107/S0108270100011653","","","0.71073","MoKα","","0.117","0.049","","","","0.096","","","","","","0.891","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011508","18.858","0.007","3.864","0.001","8.19","0.007","90","","90","","90","","596.8","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","m-hydroxybenzaldehyde","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","GD1106","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C.","3-Hydroxybenzaldehyde","Acta Crystallographica Section C","2000","56","11","1348","1350","10.1107/S0108270100010441","","","0.71073","MoKα","","0.0548","0.0304","","","","0.0848","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011529","16.699","0.003","18.507","0.004","5.615","0.0011","90","","90","","90","","1735.3","0.6","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H22 O2 S2 -","- C19 H22 O2 S2 -","- C76 H88 O8 S8 -","4","1","OS1121","Kansikas, Jarno; Sipilä, Kaija","(1<i>S</i>,2<i>R</i>,2'<i>S</i>)- and (1<i>S</i>,2<i>S</i>,2'<i>S</i>)-1-phenyl-2-phenylthio-2-(tetrahydropyran-2'-ylthio)ethanol diastereoisomers at 193K","Acta Crystallographica Section C","2000","56","11","1383","1385","10.1107/S0108270100011161","","","0.71073","MoKα","","0.0357","0.032","","","","0.083","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011535","21.443","0.002","7.959","0.001","10.224","0.002","90","","90","","90","","1744.9","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","3α-Tosyloxymethyltropane(N^8^—B)‒borane","","- C16 H26 B N O3 S -","- C16 H26 B N O3 S -","- C64 H104 B4 N4 O12 S4 -","4","1","QA0392","Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa","3α-Tosyloxymethyltropane(<i>N</i>^8^‒<i>B</i>)borane","Acta Crystallographica Section C","2000","56","11","e512","e513","10.1107/S0108270100013019","","","1.54178","CuKα","","0.066","0.043","","0.115","","0.103","","","1.045","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011592","16.591","0.002","8.8487","0.0007","30.996","0.009","90","0.016","90","0.012","90","0.009","4550.5","1.5","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H22 O4 -","- C32 H22 O4 -","- C256 H176 O32 -","8","2","BK1564","Potenza, Joseph A.; Emge, Thomas J.; Albaneze, Jennifer; Knapp, Spencer; Schugar, Harvey J.","A spiro-linked pyrene‒naphthoquinone","Acta Crystallographica Section C","2000","56","12","1494","1495","10.1107/S0108270100012750","","","1.5418","CuKα","","0.1253","0.0441","","","","0.0847","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011616","12.513","0.0003","9.4275","0.0003","10.6441","0.0003","90","","90","","90","","1255.65","0.06","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,5-dimethyl-3-(5-methyl-1H-pyrazol-3-ylamino)cyclohex-3-en-1-one","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","GS1111","Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Low, John Nicolson","5,5-Dimethyl-3-(5-methyl-1<i>H</i>-pyrazol-3-ylamino)cyclohex-3-en-1-one","Acta Crystallographica Section C","2000","56","12","1457","1459","10.1107/S0108270100012300","","","0.71073","MoKα","","0.057","0.048","","","","0.122","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011690","10.271","0.003","6.836","0.0002","19.642","0.002","90","","90","","90","","1379.1","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Diethylamino-6-methylamino-5-nitropyrimidinium chloride monohydrate","","- C9 H18 Cl N5 O3 -","- C9 H18 Cl N5 O3 -","- C36 H72 Cl4 N20 O12 -","4","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","","","","","","","","","","2.86","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2011699","10.369","0.002","20.791","0.003","8.071","0.003","90","","90","","90","","1740","0.8","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-Oxa-4-thiaspiro[4.5]decane","ethyl 6-benzylidene-1-oxa-4-thiaspiro[4.5]decane-7-acetate","","- C19 H24 O3 S -","- C19 H24 O3 S -","- C76 H96 O12 S4 -","4","1","DA1149","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols","Acta Crystallographica Section C","2001","57","1","79","81","10.1107/S0108270100013603","","","0.71069","MoKα","","0.129","0.044","","","","0.14","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011780","16.996","0.002","8.1356","0.0011","20.66","0.003","90","","90","","90","","2856.7","0.7","298","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","6,7-dicyano-2,3-di(2-pyridyl) pyrazine","","- C16 H8 N6 -","- C16 H8 N6 -","- C128 H64 N48 -","8","2","VJ1118","Du, Miao; Bu, Xian-He; Liu, He; Leng, Xue-Bing","5,6-Bis(2-pyridyl)-2,3-pyrazinedicarbonitrile","Acta Crystallographica Section C","2001","57","2","201","202","10.1107/S0108270100017625","","","0.71073","MoKα","","","0.0367","","","","0.1013","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012001","12.0263","0.0017","6.0321","0.0009","5.829","0.002","90","0.12","90","0.03","90","0.03","422.86","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-Alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","VJ1132","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","<small>DL</small>-Alanine","Acta Crystallographica Section C","2001","57","5","614","615","10.1107/S010827010100261X","","","1.5418","CuKα","","0.0254","0.0252","","","","0.0719","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012086","17.5109","0.0009","9.5222","0.0005","10.3232","0.0005","90","","90","","90","","1721.31","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylplumbane","","- C15 H10 Pb S5 -","- C15 H10 Pb S5 -","- C60 H40 Pb4 S20 -","4","1","GG1047","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')stannane at 150K","Acta Crystallographica Section C","2001","57","7","787","789","10.1107/S0108270101004474","","","0.71073","MoKα","","0.106","0.055","","","","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012087","17.3574","0.0005","9.227","0.0002","10.3775","0.0002","90","","90","","90","","1662.03","0.07","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylstannane","","- C15 H10 S5 Sn -","- C15 H10 S5 Sn -","- C60 H40 S20 Sn4 -","4","1","GG1047","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')stannane at 150K","Acta Crystallographica Section C","2001","57","7","787","789","10.1107/S0108270101004474","","","0.71073","MoKα","","0.032","0.028","","","","0.061","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012112","11.9647","0.0011","8.3276","0.0007","7.6054","0.0007","90","","90","","90","","757.78","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","isonipecotic acid","4-piperidinecarboxylic acid","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C24 H52 N4 O12 -","4","1","BK1590","Delgado, Gerzon; Mora, Asiloé J.; Bahsas, Ali","Zwitterionic 4-piperidinecarboxylic acid monohydrate","Acta Crystallographica Section C","2001","57","8","965","967","10.1107/S0108270101007958","","","0.71073","MoKα","","0.038","0.037","","","","0.101","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012139","21.4097","0.0003","6.1559","0.0006","10.0605","0.0013","90","","90","","90","","1325.9","0.2","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-Bis[tris(hydroxymethyl)methyl]ethanediamide","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C40 H80 N8 O32 -","4","1","GG1060","Ross, Jennifer N.; Low, John N.; Fernandes, Christiane; Wardell, James L.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Bis[tris(hydroxymethyl)methyl]ethanediamide: six O—H···O hydrogen bonds generate only a two-dimensional structure","Acta Crystallographica Section C","2001","57","8","949","951","10.1107/S0108270101008940","","","0.71073","MoKα","","0.0605","0.0471","","","","0.1199","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012516","14.531","0.0002","8.7676","0.0001","30.0679","0.0001","90","","90","","90","","3830.71","0.07","183","2","183","2","","","","","","","","4","P n a 21","P 2c -2n","33","","anti-2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxo- spiro[1H-indole-3(2H),2'(2a'H)oxeto[2,3-b]indole]","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C176 H144 N16 O48 -","8","2","NA1545","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","Syn- and anticlinal isomers of 2a'-acetoxy-1,7'-diacetyl-7',7a'-dihydro-2-oxospiro[1<i>H</i>-indole-3(2<i>H</i>),2'(2a'<i>H</i>)-oxeto[3,2-<i>b</i>]indole]","Acta Crystallographica Section C","2002","58","2","o59","o62","10.1107/S0108270101020820","","","0.71073","MoKα","","0.0616","0.0477","","","0.109","0.1146","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012624","18.3531","0.0018","10.871","0.0012","13.821","0.0012","90","","90","","90","","2757.5","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","triethylammonium 26,27,28-trihydroxypentacyclo[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-dodecaen-25-olate","","- C34 H39 N O4 -","- C34 H39 N O4 -","- C136 H156 N4 O16 -","4","1","DN1006","Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques","Two triethylammonium ion complexes of monoanionic calix[4]arene","Acta Crystallographica Section C","2002","58","4","o223","o225","10.1107/S0108270102003220","","","0.71073","MoKα","","0.1","0.057","","","0.106","0.124","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012693","7.9481","0.0002","11.3472","0.0003","6.0425","0.0003","90","","90","","90","","544.97","0.03","292","1","291","","10000","","","","","","","5","P n a 21","P 2c -2n","33","","bis(ammonium) fluorophosphate","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","BR1363","Krupková, Radmila; Fábry, Jan; Císařová, Ivana; Vaněk, Přemysl","Bis(ammonium) fluorophosphate at room temperature","Acta Crystallographica Section C","2002","58","5","i66","i68","10.1107/S010827010200553X","","","0.71073","MoKα","","0.023","0.022","","","0.031","0.031","","","","1.79","1.79","1.76","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012805","12.375","0.002","15.248","0.002","14.119","0.002","90","","90","","90","","2664.2","0.7","180.2","","180.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","Di-μ-methoxy-bis[(η^5^-cyclopentadienyl)(nitrosyl- κN)(trimethylsilylmethyl)molybdenum(III)]","","- C20 H38 Mo2 N2 O4 Si2 -","- C20 H38 Mo2 N2 O4 Si2 -","- C80 H152 Mo8 N8 O16 Si8 -","4","1","FR1372","Trevor W. Hayton; Peter Legzdins; Steven J. Rettig","Di-μ-methoxy-bis[(η^5^-cyclopentadienyl)(nitrosyl-κ<i>N</i>)(trimethylsilylmethyl)molybdenum(II)]","Acta Crystallographica Section C","2002","58","7","m377","m378","10.1107/S010827010200865X","","","0.71069","MoKα","","0.073","0.037","","0.063","","0.063","","","1.215","","","1.215","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012916","10.7999","0.0001","9.2851","0.0001","18.7949","0.0003","90","","90","","90","","1884.72","0.04","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino [2,3-d]thiazole","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","AV1114","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino[2,3-<i>d</i>]thiazole","Acta Crystallographica Section C","2002","58","9","o543","o544","10.1107/S0108270102013112","","","0.71073","MoKα","","0.0606","0.0494","","","0.1146","0.1301","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013021","7.282","0.002","13.14","0.003","6.76","0.002","90","","90","","90","","646.8","0.3","174","2","174","2","","","","","","","","3","P n a 21","P 2c -2n","33","phthalaldehyde","benzene-1,2-dicarbaldehyde","","- C8 H6 O2 -","- C8 H6 O2 -","- C32 H24 O8 -","4","1","FR1394","Britton, Doyle","<i>o</i>- and <i>m</i>-Benzenedicarbaldehyde","Acta Crystallographica Section C","2002","58","11","o637","o639","10.1107/S0108270102015597","","","0.71073","MoKα","","0.03","0.027","","","0.077","0.078","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013284","16.9296","0.0009","9.3433","0.0005","7.3389","0.0015","90","","90","","90","","1160.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Benzo-1,3-thiazole-6-carboxamidinium chloride dihydrate","","- C8 H12 Cl N3 O2 S -","- C8 H12 Cl N3 O2 S -","- C32 H48 Cl4 N12 O8 S4 -","4","1","GG1150","Matković-Čalogović, Dubravka; Popović, Zora; Tralić-Kulenović, Vesna; Racanè, Livio; Karminski-Zamola, Grace","1,3-Benzothiazole-6-carboxamidinium chloride dihydrate","Acta Crystallographica Section C","2003","59","4","o190","o191","10.1107/S0108270103001574","","","0.71073","MoKα","","0.0405","0.0323","","","0.0769","0.0812","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013457","21.627","0.004","3.804","0.001","11.605","0.002","90","","90","","90","","954.7","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(3-pyridyl)-1,3,8-triazanaphthalene","","- C12 H8 N4 -","- C12 H8 N4 -","- C48 H32 N16 -","4","1","GD1264","Jan Janczak; Ryszard Kubiak","2-(3-Pyridyl)-1,3,8-triazanaphthalene, a product of the catalytic transformation of 3-cyanopyridine","Acta Crystallographica Section C","2003","59","9","o506","o508","10.1107/S0108270103015701","","","0.71073","MoKα","","0.0945","0.0505","","","0.0681","0.075","","","","","","0.991","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013481","13.3375","0.0005","8.9992","0.0003","15.5637","0.0004","90","","90","","90","","1868.06","0.11","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(2,6-dioxo-1,4,7,11,14-pentaazacycloheptadecanato)copper(II) tetrahydrate","","- C12 H31 Cu N5 O6 -","- C12 H31 Cu N5 O6 -","- C48 H124 Cu4 N20 O24 -","4","1","NA1585","Herman, Gerrit G.; Lippens, Werner; Goeminne, Andre M.; Steenland, Mathieu; Blaton, Norbert M.","Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors","Acta Crystallographica Section C","2003","59","7","m294","m298","10.1107/S0108270102023247","","","1.54178","CuKα","","0.0406","0.0401","","","0.1031","0.1038","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013492","13.591","0.002","9.306","0.002","7.711","0.003","90","","90","","90","","975.3","0.5","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic dianhydride","","- C10 H8 O6 -","- C10 H8 O6 -","- C40 H32 O24 -","4","1","OB1124","Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami","<i>cis</i>,<i>cis</i>,<i>cis</i>-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride","Acta Crystallographica Section C","2003","59","8","o435","o438","10.1107/S0108270103013362","","","1.54178","CuKα","","0.0433","0.0385","","","0.1052","0.1095","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013509","9.8769","0.0001","24.8789","0.0003","5.7335","0.0001","90","","90","","90","","1408.87","0.03","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-naphthyloxymethylcarbonyl)piperidine","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","SK1646","Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o422","o425","10.1107/S0108270103012332","","","0.71073","MoKα","","0.0474","0.0352","","","0.0838","0.0898","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013735","19.3587","0.0015","6.7658","0.0005","12.7869","0.0007","90","","90","","90","","1674.8","0.2","180","","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tetrapotassium vanadium diphosphorus nonasulfide","","- K4 P2 S9 V -","- K4 P2 S9 V -","- K16 P8 S36 V4 -","4","1","AV1159","Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang","K~4~VP~2~S~9~","Acta Crystallographica Section C","2004","60","2","i11","i13","10.1107/S0108270103026623","","","0.71073","MoKα","","0.051","0.048","","","0.124","0.127","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014006","23.987","0.002","3.9394","0.0005","22.965","0.002","90","","90","","90","","2170.1","0.4","90","0.1","90","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C96 H72 Br8 N16 O8 -","8","2","GG1208","Ejsmont, Krzysztof; Domański, Andrzej A.; Kyzioł, Janusz B.; Zaleski, Jacek","<i>trans</i>-4-Bromo-<i>ONN</i>-azoxybenzene at 100K","Acta Crystallographica Section C","2004","60","5","o368","o370","10.1107/S0108270104007103","","","0.71073","MoKα","","0.0281","0.0269","","","0.0615","0.0622","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014017","16.423","0.003","5.005","0.001","7.654","0.002","90","","90","","90","","629.1","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Glycine lithium sulfate","","","- C2 H5 Li2 N O6 S -","- C2 H5 Li2 N O6 S -","- C8 H20 Li8 N4 O24 S4 -","4","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0266","0.0246","","","0.0646","0.066","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014063","16.1757","0.0002","12.5444","0.0003","8.2147","0.0002","90","","90","","90","","1666.88","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","rac-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C19 H21 N O S -","- C19 H21 N O S -","- C76 H84 N4 O4 S4 -","4","1","SK1712","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","(<i>R</i>)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and <i>rac</i>-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N—H···S and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o346","o349","10.1107/S0108270104006857","","","0.71073","MoKα","","0.0528","0.0453","","","0.119","0.1297","","","","","","1.257","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014176","14.49","0.003","4.147","0.0008","16.848","0.003","90","","90","","90","","1012.4","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-chloro-3,6-dimethoxy-2,5-dimethylbenzene","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C40 H52 Cl4 O8 -","4","1","GG1216","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Montoya, Crystal L.","1-Chloro-3,6-dimethoxy-2,5-dimethylbenzene and 1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","Acta Crystallographica Section C","2004","60","7","o536","o538","10.1107/S0108270104013551","","","0.71073","MoKα","","0.0979","0.0633","","","0.1417","0.1627","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014285","10.346","0.001","9.222","0.002","10.803","0.002","90","","90","","90","","1030.7","0.3","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.067","0.055","","0.121","","0.067","","","1.071","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014286","13.597","0.003","10.404","0.002","14.735","0.003","90","","90","","90","","2084.5","0.7","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","9-(1-naphthyl)-9H-xanthen-9-ol‒dioxane (1/1) clathrate","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","TA1455","Jacobs, Ayesha A.; Nassimbeni, Luigi R.; Taljaard, Benjamin","Desorption kinetics of a xanthenol‒dioxane clathrate","Acta Crystallographica Section C","2004","60","9","o668","o670","10.1107/S0108270104017792","","","0.71073","MoKα","","0.0354","0.0302","","","0.0739","0.076","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014506","13.648","0.003","13.254","0.003","15.358","0.006","90","","90","","90","","2778.1","1.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Chlorobis[N-(ethoxycarbonyl)-N'-(p-methoxyphenyl)thiourea-κS]copper(I)","","- C22 H28 Cl Cu N4 O6 S2 -","- C22 H28 Cl Cu N4 O6 S2 -","- C88 H112 Cl4 Cu4 N16 O24 S8 -","4","1","HJ1031","Su, Bi-Quan; Xian, Liang; Song, Hai-Bin; Sheng, Li","Chlorobis[<i>N</i>-ethoxycarbonyl-<i>N</i>'-(<i>p</i>-methoxyphenyl)thiourea-κ<i>S</i>]copper(I)","Acta Crystallographica Section C","2004","60","12","m661","m662","10.1107/S0108270104028215","","","0.71073","MoKα","","0.0904","0.039","","","0.0775","0.0948","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014579","23.7595","0.0009","24.2234","0.0008","9.3546","0.0003","90","","90","","90","","5383.9","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,11,17,23-tetra-tert-butyl-25-methoxycarbonylmethoxy-26,27,28- trihydroxycalix[4]arene chloroform trisolvate","","- C50 H63 Cl9 O6 -","- C50 H63 Cl9 O6 -","- C200 H252 Cl36 O24 -","4","1","SX1158","Ben Othman, Amel; Cheriaa, Najah; Abidi, Rym; Vicens, Jacques; Thuéry, Pierre","Self-inclusion in 5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxy-25-(methoxycarbonylmethoxy)calix[4]arene chloroform trisolvate","Acta Crystallographica Section C","2004","60","12","o859","o861","10.1107/S0108270104026356","","","0.71073","MoKα","","0.0711","0.0475","","","0.1096","0.1253","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014675","16.5043","0.001","17.4355","0.0013","5.919","0.003","90","","90","","90","","1703.3","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Chlorobenzyl)-4-(4-methylbenzylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C68 H68 Cl4 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.072","0.0314","","","0.0479","0.0532","","","","","","0.739","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014772","16.1203","0.0015","7.7373","0.0007","15.2135","0.0018","90","","90","","90","","1897.5","0.3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Poly[(μ-thiocyanato-1:2κ^2^S:N)bis(thiocyanato-2κN)bis(N-methylformamide- 2κO)manganese(II)mercury(II)]","","- C8 H10 Hg Mn N6 O2 S4 -","- C8 H10 Hg Mn N6 O2 S4 -","- C32 H40 Hg4 Mn4 N24 O8 S16 -","4","1","AV1235","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Zhang, Guang-Hui; Geng, Yan-Ling","Poly[bis(<i>N</i>-methylformamide)tetra-μ-thiocyanato-manganese(II)mercury(II)]","Acta Crystallographica Section C","2005","61","6","m278","m280","10.1107/S0108270105010814","","","0.71069","MoKα","","0.0701","0.0395","","","0.0679","0.0767","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014819","14.79","0.015","9.373","0.008","15.01","0.03","90","","90","","90","","2081","5","298","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(Triphenylmethylsulfanyl)phthalimide","","- C27 H19 N O2 S -","- C27 H19 N O2 S -","- C108 H76 N4 O8 S4 -","4","1","GD1360","Brito, Ivań; Vargas, Danitza; Reyes, Andrea; Cárdenas, Alejandro; López-Rodríguez, Matías","<i>N</i>-(Triphenylmethylsulfanyl)phthalimide","Acta Crystallographica Section C","2005","61","4","o234","o236","10.1107/S0108270105004270","","","0.71073","MoKα","","","0.0478","","","","0.1136","","","","","","1.191","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014914","11.93","0.002","11.931","0.003","11.225","0.002","90","","90","","90","","1597.7","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","catena-Poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido]","catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-azido]","","- C17 H16 Co N5 O2 -","- C17 H16 Co N5 O2 -","- C68 H64 Co4 N20 O8 -","4","1","SK1836","You, Zhong-Lu","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","6","m295","m297","10.1107/S0108270105012497","","","0.71073","MoKα","","0.0535","0.0487","","","0.1266","0.1304","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014915","12.566","0.007","11.679","0.007","11.515","0.007","90","","90","","90","","1689.9","1.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","catena-poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ- thiocyanato]","catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-thiocyanato]","","- C18 H16 Co N3 O2 S -","- C18 H16 Co N3 O2 S -","- C72 H64 Co4 N12 O8 S4 -","4","1","SK1836","You, Zhong-Lu","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","6","m295","m297","10.1107/S0108270105012497","","","0.71073","MoKα","","0.0695","0.0539","","","0.1208","0.1286","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014961","10.499","0.002","12.208","0.002","11.886","0.002","90","","90","","90","","1523.4","0.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","catena-Poly[[{2,4-dichloro-6-[(pyridin-2-ylmethylimino)methyl]phenolato}- copper(II)]-μ-thiocyanato]","","- C14 H9 Cl2 Cu N3 O S -","- C14 H9 Cl2 Cu N3 O S -","- C56 H36 Cl8 Cu4 N12 O4 S4 -","4","1","AV1260","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[[2,4-dichloro-6-(pyridin-2-ylmethyliminomethyl)phenolato]copper(II)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","9","m421","m423","10.1107/S0108270105023760","","","0.71073","MoKα","","0.047","0.0426","","","0.0931","0.0954","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014995","8.3049","0.0004","27.1833","0.0016","8.9868","0.0005","90","","90","","90","","2028.81","0.19","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","Diacetatobis(2-aminobenzothiazole-κN)cobalt(II)","","- C18 H18 Co N4 O4 S2 -","- C18 H18 Co N4 O4 S2 -","- C72 H72 Co4 N16 O16 S8 -","4","1","FR1521","Hümeyra Batı; Hanife Saraçoĝlu; Nezihe Çalıs̨kan; Serkan Soylu","Diacetatobis(2-aminobenzothiazole-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section C","2005","61","7","m342","m343","10.1107/S0108270105016811","","","0.71073","MoKα","","0.0261","0.0247","","","0.0623","0.0629","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015106","12.816","0.003","6.4045","0.0005","10.5889","0.0008","90","","90","","90","","869.1","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","potassium titanyl phosphate","","- K2 O10 P2 Ti2 -","- K2 O10 P2 Ti2 -","- K8 O40 P8 Ti8 -","4","1","BC1075","Stefan T. Norberg; Nobuo Ishizawa","K-site splitting in KTiOPO~4~ at room temperature","Acta Crystallographica Section C","2005","61","10","i99","i102","10.1107/S0108270105027010","","","0.75052","synchrotron","","0.02","0.019","","0.026","0.025","0.025","","","1.016","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015163","7.607","0.002","13.615","0.003","14.544","0.003","90","","90","","90","","1506.3","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis(1H-benzimidazol-2-ylmethyl)aminium chloride","","- C16 H16 Cl N5 -","- C16 H16 Cl N5 -","- C64 H64 Cl4 N20 -","4","1","HJ1062","Xue-Li Zhang; Sheng-Run Zheng; Yue-Peng Cai; Cheng-Yong Su","2,2'-(Iminodimethylene)bis(1<i>H</i>-benzimidazolium)(1+) chloride","Acta Crystallographica Section C","2005","61","11","o642","o644","10.1107/S0108270105021992","","","0.71073","MoKα","","0.0332","0.0266","","","0.0639","0.0672","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015205","11.93","0.002","21.79","0.004","7.77","0.0016","90","","90","","90","","2019.8","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N,N',N''-Tris(p-methoxyphenyl)phosphoric triamide","","- C21 H24 N3 O4 P -","- C21 H24 N3 O4 P -","- C84 H96 N12 O16 P4 -","4","1","SK1875","Li, Chenguang; Dyer, Daniel J.; Rath, Nigam P.; Robinson, Paul D.","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(<i>p</i>-methoxyphenyl)phosphoric triamide","Acta Crystallographica Section C","2005","61","11","o654","o656","10.1107/S0108270105031720","","","0.71073","MoKα","","0.05","0.04","","","0.094","0.1","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015739","10.5331","0.001","6.8752","0.0006","20.0035","0.0018","90","","90","","90","","1448.6","0.2","133","2","133","2","","","","","","","","2","P n a 21","P 2c -2n","33","","2',5'-Dimethyl-p-terphenyl","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","GG3053","Jones, Peter G.; Zemanek, Aleksander; Kuś, Piotr","Secondary interactions in two related terphenyl derivatives: 2',5'-dimethyl-<i>p</i>-terphenyl and 2',5'-bis(bromomethyl)-<i>p</i>-terphenyl","Acta Crystallographica Section C","2007","63","1","o73","o76","10.1107/S0108270106052668","","","0.71073","MoKα","","0.0773","0.0687","","","0.1433","0.1474","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015915","31.578","0.014","8.006","0.004","12.006","0.006","90","","90","","90","","3035","3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-2,6-dimethylpyridine-3,5-dicarboxylato-κ^4^O^3^,O^3'^:O^5^,O^5'^- bis[chloro(1,10-phenanthroline-κ^2^N,N')zinc(II)]","","- C33 H23 Cl2 N5 O4 Zn2 -","- C33 H23 Cl2 N5 O4 Zn2 -","- C132 H92 Cl8 N20 O16 Zn8 -","4","1","SF3026","Yan-Ting He; Kun-Lin Huang; Chang-Wen Hu; Wan-Long Pan; Ying-Nan Chi","A new two-dimensional supramolecule composed of μ-2,6-dimethylpyridine-3,5-dicarboxylato-κ^4^<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^,<i>O</i>^5'^-bis[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]","Acta Crystallographica Section C","2007","63","4","m161","m162","10.1107/S0108270107009663","","","0.71073","MoKα","","0.0914","0.0465","","","0.0744","0.0887","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015968","20.3809","0.0008","9.5957","0.0003","15.737","0.0006","90","","90","","90","","3077.67","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","cis-dichloro(phenanthrolinedione) trans-dipyridinecobalt(II) pyridine solvate","<i>cis</i>-dichlorido(1,10-phenanthroline-5,6-dione-κ^2^N,N')-<i>trans</i>- dipyridinecobalt(II) pyridine disolvate","","- C32 H26 Cl2 Co N6 O2 -","- C32 H26 Cl2 Co N6 O2 -","- C128 H104 Cl8 Co4 N24 O8 -","4","1","SU3002","Cédric Desroches; Lars Öhrström","Transformations of the chameleon ligand 1,10-phenanthroline-5,6-dione/diol: <i>cis</i>-dichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-dipyridinecobalt(II) pyridine disolvate prepared from the diol","Acta Crystallographica Section C","2007","63","5","m190","m192","10.1107/S0108270107010554","","","0.71073","MoKα","","0.1038","0.0511","","","0.125","0.1267","","","","","","0.897","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016042","7.9604","0.0001","23.057","0.003","13.227","0.002","90","","90","","90","","2427.7","0.5","120","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Acetato(<i>N</i>-phenylpyridine-2-carboxamidato-κ^2^N,N)(<i>N</i>- phenylpyridine-2-carboxamideκ^2^N^1^,O)copper(II)","","- C26 H22 Cu N4 O4 -","- C26 H22 Cu N4 O4 -","- C104 H88 Cu4 N16 O16 -","4","1","GG3093","Gomes, Ligia; Low, John Nicolson; Valente, Mário A. D. C.; Freire, Cristina; Castro, Baltazar","Acetato(<i>N</i>-phenylpyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>)(<i>N</i>-phenylpyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)copper(II)","Acta Crystallographica Section C","2007","63","7","m293","m296","10.1107/S0108270107023414","","","0.71073","MoKα","","0.0575","0.0349","","","0.0808","0.0883","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016102","12.7944","0.0009","9.3494","0.0007","10.0269","0.0007","90","","90","","90","","1199.42","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(3,5-dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate","","- C9 H20 Cl N3 O -","- C9 H20 Cl N3 O -","- C36 H80 Cl4 N12 O4 -","4","1","SF3043","Guzei, Ilia A.; Keter, Frankline K.; Spencer, Lara C.; Darkwa, James","Constructor graph description of hydrogen bonding in a supramolecular assembly of (3,5-dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate","Acta Crystallographica Section C","2007","63","8","o481","o483","10.1107/S0108270107031952","","","0.71073","MoKα","","0.0266","0.023","","","0.0564","0.0591","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016311","8.6811","0.0004","9.5627","0.0004","12.1914","0.0006","90","","90","","90","","1012.07","0.08","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Trirubidium diyttrium triborate","","- B3 O9 Rb3 Y2 -","- B3 O9 Rb3 Y2 -","- B12 O36 Rb12 Y8 -","4","1","FA3116","Gao, J. H.; Li, R. K.","Rb~3~Y~2~(BO~3~)~3~ with a noncentrosymmetric structure","Acta Crystallographica Section C","2007","63","12","i112","i114","10.1107/S0108270107054078","","","0.7107","MoKα","","0.0547","0.048","","","0.0764","0.0791","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016325","14.886","0.003","23.19","0.004","7.0638","0.0014","90","","90","","90","","2438.5","0.8","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(E)-N'-[5-Chloro-3-methoxy-2-(4- methylphenylsulfonyloxy)benzylidene]isonicotinohydrazide acetic acid solvate","","- C23 H22 Cl N3 O7 S -","- C23 H22 Cl N3 O7 S -","- C92 H88 Cl4 N12 O28 S4 -","4","1","GD3153","Diao, Chun-Hua; Fan, Zhi; Chen, Xin","(<i>E</i>)-<i>N</i>'-[5-Chloro-3-methoxy-2-(4-methylphenylsulfonyloxy)benzylidene]isonicotinohydrazide acetic acid solvate: hydrogen-bonded network of alternating <i>R</i>^4^~4~(42), <i>R</i>^5^~5~(33) and <i>R</i>^6^~6~(40) rings","Acta Crystallographica Section C","2007","63","12","o717","o719","10.1107/S010827010705281X","","","0.71073","MoKα","","0.1085","0.0476","","","0.0774","0.0924","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016395","8.6711","0.00015","17.0109","0.0003","8.38857","0.00016","90","","90","","90","","1237.34","0.04","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","tripotassium digallium triphosphate","","- Ga2 K3 O12 P3 -","- Ga2 K3 O12 P3 -","- Ga8 K12 O48 P12 -","4","1","IZ3036","M. Beaurain; R. Astier; A. van der Lee; P. Armand","K~3~Ga~2~(PO~4~)~3~ and Na~3~Ga(PO~4~)~2~","Acta Crystallographica Section C","2008","64","1","i5","i8","10.1107/S0108270107061963","","","0.71073","MoKα","","0.0448","0.0344","","0.0877","0.0863","0.0877","","","","","","0.9789","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016440","11.4212","0.0015","7.1787","0.0014","13.2595","0.001","90","","90","","90","","1087.1","0.3","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Amino-3-methyl-1-(2-nitrobenzoyl)pyrazole","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","1","HJ3064","Quiroga, Jairo; Portilla, Jaime; Low, John N.; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded chain of rings in 5-amino-1-(4-methoxybenzoyl)-3-methylpyrazole and a three-dimensional hydrogen-bonded framework in 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole","Acta Crystallographica Section C","2008","64","2","o76","o79","10.1107/S0108270107067522","","","0.71073","MoKα","","0.0453","0.0385","","","0.0906","0.097","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016596","15.734","0.009","10.614","0.006","7.717","0.003","90","","90","","90","","1288.7","1.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-[N-(2-chlorophenyl)carbamoyl]benzenesulfonamide","","- C13 H11 Cl N2 O3 S -","- C13 H11 Cl N2 O3 S -","- C52 H44 Cl4 N8 O12 S4 -","4","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","","0.045","0.0334","","","0.075","0.0825","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016617","7.4518","0.0002","17.2432","0.0003","10.0691","0.0002","90","","90","","90","","1293.81","0.05","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","4'-iodo-2,2':6',2''-terpyridine","","- C15 H10 I N3 -","- C15 H10 I N3 -","- C60 H40 I4 N12 -","4","1","SK3224","Fallahpour, Reza-Ali; Linden, Anthony","4'-Iodo-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2008","64","5","o283","o285","10.1107/S0108270108010354","","","0.71073","MoKα","","0.0422","0.04","","","0.0946","0.0961","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016770","11.9348","0.0011","21.617","0.002","5.3024","0.0006","90","","90","","90","","1368","0.2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2SR,4RS)-7-chloro-2-<i>exo</i>-(4-chlorophenyl)-2,3,4,5-tetrahydro- 1H-1,4-epoxy-1-benzazepine","","- C16 H13 Cl2 N O -","- C16 H13 Cl2 N O -","- C64 H52 Cl8 N4 O4 -","4","1","LN3112","Gómez, Sandra L.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in two or three dimensions","Acta Crystallographica Section C","2008","64","9","o519","o523","10.1107/S0108270108025961","","","0.71073","MoKα","","0.0917","0.0453","","","0.085","0.1042","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016813","23.2847","0.0011","12.1184","0.0006","5.5709","0.0003","90","","90","","90","","1571.96","0.14","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>threo</i>-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-propanol","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","HJ3086","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Conformation of 1-aryl-2-aryloxy-1-propanols: <i>threo</i>-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-propanol","Acta Crystallographica Section C","2008","64","10","o558","o560","10.1107/S0108270108026565","","","0.71073","MoKα","","0.0531","0.0412","","","0.1055","0.1122","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016888","19.9121","0.001","7.3459","0.0004","9.1384","0.0004","90","","90","","90","","1336.69","0.12","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","chlorpropamide, ε-form","4-chloro-<i>N</i>-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","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","","","0.71073","MoKα","","0.0644","0.0347","","","0.0749","0.0803","","","","","","0.874","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017022","14.03","0.002","19.121","0.003","4.624","0.0008","90","","90","","90","","1240.5","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole dihydrate","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","SQ3184","Qi, De-Qiang; Hou, Gui-Ge; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","A novel three-dimensional framework constructed by 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and infinite chains of hydrogen-bonded water molecules","Acta Crystallographica Section C","2009","65","3","o85","o87","10.1107/S0108270109001814","","","0.71073","MoKα","","0.0433","0.0354","","","0.0763","0.0791","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017120","11.7106","0.0008","16.9105","0.0008","4.1894","0.0003","90","","90","","90","","829.64","0.09","290","2","290","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-chloro-1-hydroxynaphthalene","4-Chloro-1-naphthol","","- C10 H7 Cl O -","- C10 H7 Cl O -","- C40 H28 Cl4 O4 -","4","1","SK3305","Rozycka-Sokolowska, Ewa; Marciniak, Bernard","4-Chloro-1-naphthol","Acta Crystallographica Section C","2009","65","5","o207","o210","10.1107/S0108270109010063","","","0.71073","MoKα","","0.0447","0.0273","","","0.0634","0.0785","","","","","","1.128","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017208","12.7984","0.0005","14.8116","0.0006","7.2524","0.0003","90","","90","","90","","1374.8","0.1","110","2","110","2","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-[(<i>E</i>)-4-pyridylmethylene]benzene- 1,4-diamine","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","BM3080","Seidel, Rüdiger W.; Sheldrick, William S.; Kolev, Tsonko M.; Koleva, Bojidarka B.","<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-[(<i>E</i>)-4-pyridylmethylene]benzene-1,4-diamine: a combined X-ray and density functional theory study","Acta Crystallographica Section C","2009","65","8","o385","o387","10.1107/S0108270109025475","","","0.71073","MoKα","","0.0451","0.0301","","","0.0561","0.0582","","","","","","0.872","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017227","19.559","0.003","5.2321","0.0008","19.871","0.003","90","","90","","90","","2033.5","0.5","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1-<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C15 H10 N2 -","- C15 H10 N2 -","- C120 H80 N16 -","8","2","FG3095","Stibrany, Robert T.; Potenza, Joseph A.","Structures of 1-hydrophenanthroimidazoles: building blocks in the synthesis of expanded-ring bis(imidazoles)","Acta Crystallographica Section C","2009","65","8","o406","o409","10.1107/S0108270109025165","","","0.71073","MoKα","","0.0515","0.0433","","","0.1075","0.1123","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017288","31.212","0.003","11.3211","0.0009","15.114","0.0013","90","","90","","90","","5340.6","0.8","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis(tetraphenylphosphonium) (hexasulfido-2κ^2^<i>S</i>^1^,<i>S</i>^6^)di- μ-sulfido-disulfido-1κ^2^<i>S</i>-tungsten(VI)zinc(II) acetone solvate","","- C51 H46 O P2 S10 W Zn -","- C51 H46 O P2 S10 W Zn -","- C204 H184 O4 P8 S40 W4 Zn4 -","4","1","FG3117","Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Hyvadi, Reza","Bis(tetraphenylphosphonium) (hexasulfido-2κ^2^<i>S</i>^1^,<i>S</i>^6^)di-μ-sulfido-disulfido-1κ^2^<i>S</i>-tungsten(VI)zinc(II) acetone solvate","Acta Crystallographica Section C","2009","65","9","m331","m332","10.1107/S0108270109029072","","","0.71073","MoKα","","0.064","0.0542","","","0.0974","0.1004","","","","","","1.247","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017546","9.9418","0.0008","9.3619","0.0005","10.9337","0.0013","90","","90","","90","","1017.64","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>O</i>-ethyl benzoylthiocarbamate","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C40 H44 N4 O8 S4 -","4","1","FA3214","Insuasty, Henry; Castro, Edison; Sánchez, Edison; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonding patterns in two aroylthiocarbamates and two aroylimidothiocarbonates","Acta Crystallographica Section C","2010","66","3","o141","o146","10.1107/S0108270110005032","","","0.71073","MoKα","","0.0986","0.0482","","","0.1048","0.1303","","","","","","1.139","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017578","10.013","0.002","12.3487","0.0012","17.666","0.004","90","","90","","90","","2184.4","0.7","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>-{[6-Chloro-4-(4-chlorophenyl)-3-methyl-1-phenyl-1<i>H</i>- pyrazolo[3,4-<i>b</i>]pyridin-5-yl]methylene}benzene-1,2-diamine","","- C26 H19 Cl2 N5 -","- C26 H19 Cl2 N5 -","- C104 H76 Cl8 N20 -","4","1","SK3364","Díaz, Yurina; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-<i>N</i>-{[6-Chloro-4-(4-chlorophenyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl]methylene}benzene-1,2-diamine: a three-dimensional framework structure built from only two hydrogen bonds","Acta Crystallographica Section C","2010","66","3","o137","o140","10.1107/S0108270110004026","","","0.71073","MoKα","","0.1067","0.0566","","","0.1052","0.1266","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017589","9.716","0.003","7.229","0.003","17.406","0.006","90","","90","","90","","1222.5","0.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Imidazolium hydrogen 2,3,5,6-tetrafluoroterephthalate","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","SQ3234","Yu, Li-Li; Cheng, Mei-Ling; Liu, Qi; Zhang, Zhi-Hui; Chen, Qun","Three-dimensional supramolecular architecture in imidazolium hydrogen 2,3,5,6-tetrafluoroterephthalate","Acta Crystallographica Section C","2010","66","4","o179","o181","10.1107/S0108270110004221","","","0.71073","MoKα","","0.0296","0.0265","","","0.0711","0.0735","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017802","12.7099","0.0008","11.2854","0.0007","9.4153","0.0006","90","","90","","90","","1350.5","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Zinc Ethylenediaminetetraacetate Monohydrate","poly[aqua(μ~5~-ethylenediaminetetraacetato)dizinc(II)]","","- C10 H14 N2 O9 Zn2 -","- C10 H14 N2 O9 Zn2 -","- C40 H56 N8 O36 Zn8 -","4","1","EM3034","Gelabert, Maria C.; Hart, Jennifer; Emge, Thomas J.","Hydrothermal synthesis and extended structure of poly[aqua(μ~5~-ethylenediaminetetraacetato)dizinc(II)]","Acta Crystallographica Section C","2010","66","11","m327","m329","10.1107/S0108270110037625","","","0.71073","MoKα","","0.0268","0.0249","","","0.0549","0.0556","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018003","10.2478","0.0004","9.6134","0.0004","23.8354","0.0009","90","","90","","90","","2348.17","0.16","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","bis(cyclopropylammonium) <i>ea</i>-<i>cis</i>-cyclohexane-1,4-dicarboxylate‒ <i>ee</i>-<i>trans</i>-cyclohexane-1,4-dicarboxylic acid (1/1)","","- C22 H38 N2 O8 -","- C22 H38 N2 O8 -","- C88 H152 N8 O32 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0353","","","","0.094","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018088","10.6623","0.0008","25.395","0.002","7.4167","0.0005","90","","90","","90","","2008.2","0.3","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(4-methylbenzylammonium) tetrachloridozincate","","- C16 H24 Cl4 N2 Zn -","- C16 H24 Cl4 N2 Zn -","- C64 H96 Cl16 N8 Zn4 -","4","1","WQ3001","Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frédéric; Ben Nasr, Cherif","Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ^13^C CP‒MAS NMR spectroscopy","Acta Crystallographica Section C","2011","67","5","m126","m129","10.1107/S0108270111012297","","","0.7107","MoKα","","0.0762","0.066","","0.143","0.127","0.143","","","","","","0.924","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018213","19.058","0.004","10.276","0.002","16.323","0.003","90","","90","","90","","3196.7","1.1","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5- dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI)","","- C23 H42 B Br Cu N7 S3 W -","- C23 H42 B Br Cu N7 S3 W -","- C92 H168 B4 Br4 Cu4 N28 S12 W4 -","4","1","BI3020","Wei, Zhenhong; You, Xiuli","Two W/Cu/S clusters: tetraethylammonium bromidodi-μ~2~-sulfido-sulfido[tris(3,5-dimethylpyrazol-1-yl)borato]copper(I)tungsten(VI) and tetraethylammonium dibromido-μ~3~-sulfido-di-μ~2~-sulfido-[tris(3,5-dimethylpyrazol-1-yl)borato]dicopper(I)tungsten(VI)","Acta Crystallographica Section C","2011","67","9","m307","m310","10.1107/S0108270111032586","","","0.71073","MoKα","","0.0416","0.0376","","","0.0819","0.0836","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018308","13.158","0.002","15.63","0.003","3.854","0.001","90","","90","","90","","792.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,7-dihydro-1,3-dimethyl-1<i>H</i>-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","BM3111","Khamar, Dikshitkumar; Pritchard, Robin Gavin; Bradshaw, Ian James; Hutcheon, Gillian Ann; Seton, Linda","Polymorphs of anhydrous theophylline: stable form IV consists of dimer pairs and metastable form I consists of hydrogen-bonded chains","Acta Crystallographica Section C","2011","67","12","o496","o499","10.1107/S010827011104786X","","","0.71073","MoKα","","0.1411","0.0881","","","0.1726","0.2022","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018545","14.668","0.003","10.242","0.002","17.191","0.003","90","","90","","90","","2582.6","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate","","- C18 H34 Cl N O14 -","- C18 H34 Cl N O14 -","- C72 H136 Cl4 N4 O56 -","4","1","KY3014","Shi, Ping-ping; Zhang, Li; Ye, Qiong","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","Acta Crystallographica Section C","2012","68","7","o266","o269","10.1107/S0108270112024912","","","0.71073","MoKα","","0.0884","0.0551","","","0.1306","0.1481","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018546","14.634","0.003","10.177","0.002","17.116","0.003","90","","90","","90","","2549.1","0.9","293","","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","","- C18 H34 B F4 N O10 -","- C18 H34 B F4 N O10 -","- C72 H136 B4 F16 N4 O40 -","4","1","KY3014","Shi, Ping-ping; Zhang, Li; Ye, Qiong","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","Acta Crystallographica Section C","2012","68","7","o266","o269","10.1107/S0108270112024912","","","0.71073","MoKα","","0.1095","0.0642","","","0.1658","0.1951","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018559","7.2636","0.0008","17.673","0.002","12.0447","0.0013","90","","90","","90","","1546.2","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-(2-hydroxy-4-oxopent-2-en-3-yl)-6,8-dinitro-2,4-dihydro- 1<i>H</i>-benzo[<i>b</i>][1,2,4]triazolo[4,3-<i>d</i>][1,4]oxazin-1-one","","- C14 H11 N5 O8 -","- C14 H11 N5 O8 -","- C56 H44 N20 O32 -","4","1","CU3013","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Structures of benzoxazine-fused triazoles as potential diuretic agents","Acta Crystallographica Section C","2012","68","8","o302","o307","10.1107/S0108270112029800","","","0.71073","MoKα","","0.038","0.0369","","","0.0966","0.0977","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018676","22.0249","0.0007","12.5626","0.0005","5.0512","0.0001","90","","90","","90","","1397.62","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Cyano-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0592","0.0365","","","0.0805","0.089","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018677","22.1833","0.0014","12.8024","0.0008","5.0114","0.0003","90","","90","","90","","1423.23","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide","","- C14 H12 F3 N O3 S -","- C14 H12 F3 N O3 S -","- C56 H48 F12 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0877","0.0551","","","0.1097","0.1227","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018678","21.6853","0.0008","12.657","0.0005","5.0586","0.0003","90","","90","","90","","1388.44","0.11","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Iodo-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 I N O3 S -","- C13 H12 I N O3 S -","- C52 H48 I4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0385","0.0311","","","0.0701","0.0745","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018679","21.621","0.0007","12.372","0.0003","5.0526","0.0001","90","","90","","90","","1351.55","0.06","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 Br N O3 S -","- C13 H12 Br N O3 S -","- C52 H48 Br4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0333","0.0263","","","0.0551","0.0572","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018680","21.258","0.0015","12.3967","0.0005","5.0526","0.0003","90","","90","","90","","1331.51","0.13","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Chloro-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 Cl N O3 S -","- C13 H12 Cl N O3 S -","- C52 H48 Cl4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.063","0.0441","","","0.0914","0.0998","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018681","20.7242","0.0004","12.3551","0.0004","5.0209","0.0001","90","","90","","90","","1285.6","0.05","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Fluoro-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 F N O3 S -","- C13 H12 F N O3 S -","- C52 H48 F4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0287","0.0274","","","0.0746","0.0756","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018682","21.3923","0.0007","12.3691","0.0004","5.0386","0.0002","90","","90","","90","","1333.23","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Chlorophenyl)-4-methoxybenzenesulfonamide","","- C13 H12 Cl N O3 S -","- C13 H12 Cl N O3 S -","- C52 H48 Cl4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0355","0.0321","","","0.0718","0.0739","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018683","20.1912","0.0007","12.0001","0.0004","5.1055","0.0001","90","","90","","90","","1237.04","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Cyano-<i>N</i>-phenylbenzenesulfonamide","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0297","0.0276","","","0.0659","0.0671","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018784","15.331","0.002","3.8621","0.0005","18.087","0.002","90","","90","","90","","1070.9","0.2","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","GZ3224","Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy","Two polymorphs of 1,8-dichloroanthracene","Acta Crystallographica Section C","2013","69","2","199","203","10.1107/S0108270113001790","","","0.71073","MoKα","","0.0303","0.028","","","0.0706","0.072","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018821","9.0968","0.0004","32.068","0.0018","6.1711","0.0004","90","","90","","90","","1800.21","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(±)-<i>exo</i>,<i>anti</i>-(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-8-Benzyl-2- [(<i>RS</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0365","0.0312","","","0.0648","0.0672","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018833","8.597","0.003","18.023","0.004","15.852","0.004","90","","90","","90","","2456.2","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dimethyl (3-{[<i>tert</i>-butoxycarbonylglycyl-α,β-(<i>Z</i>)-dehydrophenylalanyl]amino}propyl)phosphonate","","- C21 H32 N3 O7 P -","- C21 H32 N3 O7 P -","- C84 H128 N12 O28 P4 -","4","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.0758","0.067","","","0.1229","0.1259","","","","","","1.231","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018849","15.316","0.002","9.923","0.0018","20.225","0.003","90","","90","","90","","3073.8","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(<i>2RS</i>,4<i>SR</i>)-2-(5-bromothiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C18 H14 Br N O S -","- C18 H14 Br N O S -","- C144 H112 Br8 N8 O8 S8 -","8","2","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.0616","0.0376","","","0.0689","0.0763","","","","","","1.033","","","","has coordinates,has Fobs","208744","2020-10-21","18:00:00",""
"2018856","12.502","","7.599","","6.0696","","90","","90","","90","","576.628","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Zn Ag P S4","","- Ag P S4 Zn -","- Ag P S4 Zn -","- Ag4 P4 S16 Zn4 -","4","1","","Rouland, J.C.; Rodier, N.; Toffoli, P.; Khodadad, P.","Structure du Tetrathiophosphate(V) de Zinc et d'Argent, Zn Ag P S4","Acta Crystallographica C (39,1983-)","1985","41","","645","647","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018994","6.7538","0.0014","22.852","0.005","8.959","0.0018","90","","90","","90","","1382.7","0.5","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]","","- C10 H16 Cd Cl3 N -","- C10 H16 Cd Cl3 N -","- C40 H64 Cd4 Cl12 N4 -","4","1","SK3472","Wu, De-Hong; Jin, Lei","A one-dimensional <i>ABX</i>~3~-type coordination polymer: <i>catena</i>-poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]","Acta Crystallographica Section C","2013","69","5","491","493","10.1107/S010827011300930X","","","0.71073","MoKα","","0.0327","0.0266","","","0.0543","0.056","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019021","7.437","0.003","15.164","0.007","11.278","0.005","90","","90","","90","","1271.9","1","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(dimethylformamide-κ<i>O</i>)(μ~4~-5-methoxyisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)manganese(II)]","","- C12 H13 Mn N O6 -","- C12 H13 Mn N O6 -","- C48 H52 Mn4 N4 O24 -","4","1","YP3025","Huang, Xiao-Hui","A three-dimensional manganese(II) metal‒organic framework based on 5-methoxybenzene-1,3-dicarboxylic acid and exhibiting a pts net","Acta Crystallographica Section C","2013","69","5","483","485","10.1107/S0108270113008512","","","0.71073","MoKα","","0.0266","0.0235","","","0.046","0.0472","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019040","18.1669","0.0016","7.2059","0.0006","26.435","0.002","90","","90","","90","","3460.6","0.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-Aqua-octaaquabis(μ-2-thiobarbiturato-κ^2^<i>O</i>:<i>O</i>')bis(2-thiobarbiturato-κ<i>O</i>)tetralithium(I) dihydrate","","- C16 H34 Li4 N8 O19 S4 -","- C16 H34 Li4 N8 O19 S4 -","- C64 H136 Li16 N32 O76 S16 -","4","1","KU3096","Golovnev, Nikolay; Molokeev, Maxim","Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li^I^ and Na^I^","Acta Crystallographica Section C","2013","69","7","704","708","10.1107/S0108270113014078","","","0.71073","MoKα","","0.0664","0.0529","","","0.1356","0.1462","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019079","14.1821","0.0008","8.3971","0.0005","13.6799","0.0008","90","","90","","90","","1629.12","0.16","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","","- C6 H24 Co N6 S4 Sb -","- C6 H24 Co N6 S4 Sb -","- C24 H96 Co4 N24 S16 Sb4 -","4","1","FG3290","Wang, Ming-Feng; Yue, Cheng-Yang; Yuan, Zhuang-Dong; Lei, Xiao-Wu","Two polymorphs of tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","Acta Crystallographica Section C","2013","69","8","855","858","10.1107/S0108270113017277","","","0.71073","MoKα","","0.0232","0.0201","","","0.0368","0.0379","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019216","13.662","0.001","12.6329","0.001","13.9651","0.0011","90","","90","","90","","2410.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)","","- C20 H24 Cu N10 O4 S2 -","- C20 H24 Cu N10 O4 S2 -","- C80 H96 Cu4 N40 O16 S8 -","4","1","FM3003","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?","Acta Crystallographica Section C","2013","69","11","1221","1224","10.1107/S0108270113025948","","","0.71073","MoKα","","0.0661","0.0456","","","0.0899","0.1005","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019217","13.7824","0.0011","12.5795","0.001","14.1313","0.0011","90","","90","","90","","2450","0.3","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)","","- C20 H24 Cu N10 O4 S2 -","- C20 H24 Cu N10 O4 S2 -","- C80 H96 Cu4 N40 O16 S8 -","4","1","FM3003","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?","Acta Crystallographica Section C","2013","69","11","1221","1224","10.1107/S0108270113025948","","","0.71073","MoKα","","0.0524","0.0411","","","0.0851","0.0917","","","","","","1.046","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019338","14.01","0.001","7.104","0.001","34.086","0.002","90","","90","","90","","3392.5","0.6","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","lumiflavine","Lumiflavinium (7,8,10-trimethylbenzo[g] pteridine-2,4(1H,3H)-dione) nitrate.","","- C13 H14 N6 O8 -","- C13 H13 N6 O8 -","- C104 H104 N48 O64 -","8","2","","Wouters, J.; Evrard, G.; Durant, F.","Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate","Acta Crystallographica Section C Crystal Structure Communications","1995","51","6","1223","","10.1107/S0108270194014265","","","1.5406","CuKα","","0.079","0.054","","0.063","0.052","","","","","2.05","2.05","","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2019489","26.9945","0.0008","3.7322","0.0003","12.6731","0.0008","90","","90","","90","","1276.8","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","SK3526","Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","The structural properties of a noncentrosymmetric polymorph of 4-aminobenzoic acid","Acta Crystallographica Section C","2014","70","3","323","325","10.1107/S2053229614002447","","","0.71073","MoKα","","0.0647","0.051","","","0.1209","0.1303","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019587","14.7548","0.0011","5.1497","0.0003","24.58","0.002","90","","90","","90","","1867.7","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","10-oxa-9-boraphenanthren-9-ol","","- C12 H9 B O2 -","- C12 H9 B O2 -","- C96 H72 B8 O16 -","8","2","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.0592","0.0422","","","0.0933","0.1003","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019623","16.9663","0.0013","10.8788","0.0008","4.9606","0.0004","90","","90","","90","","915.59","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[aqua(μ~4~-5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium)zinc(II)]","","- C8 H7 N O6 Zn -","- C8 H7 N O6 Zn -","- C32 H28 N4 O24 Zn4 -","4","1","FM3020","Ma, De-Yun; Zheng, Jing; Cao, Jie-Qiong; Lin, Xu-Min; Ling, You-Biao","A three-dimensional zinc-based coordination polymer built from 5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium with a 4-connected <b>sra</b> topology","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016829","","","0.71073","MoKα","","0.0331","0.0287","","","0.0609","0.0641","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019634","12.6308","0.0009","3.6509","0.0003","20.0499","0.0015","90","","90","","90","","924.58","0.12","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Poly[(μ~4~-azido)[μ~4~-5-(pyridin-4-yl)tetrazolido]disilver(I)]","","- C6 H4 Ag2 N8 -","- C6 H4 Ag2 N8 -","- C24 H16 Ag8 N32 -","4","1","SK3549","Meng, Gao-Xiang; Feng, Ya-Min; Huang, Xin-Tang","Topological analysis of the three-dimensional coordination polymer poly[(μ~4~-azido)[μ~4~-5-(pyridin-4-yl)tetrazolido]disilver(I)]","Acta Crystallographica Section C","2014","70","8","823","827","10.1107/S2053229614016702","","","0.71073","MoKα","","0.0428","0.0382","","","0.0819","0.0842","","","","","","1.142","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019736","15.06714","0.00017","8.30759","0.00008","19.5481","0.0002","90","","90","","90","","2446.87","0.04","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(±)-<i>cis</i>-Ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate","","- C11 H18 N2 O2 S -","- C11 H18 N2 O2 S -","- C88 H144 N16 O16 S8 -","8","2","KY3066","Schwehm, Carolin; Lewis, William; Blake, Alexander J.; Kellam, Barrie; Stocks, Michael J.","Preparation and structural analysis of (±)-<i>cis</i>-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-<i>trans</i>-ethyl 2-oxooctahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridine-5-carboxylate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402436X","","","1.54184","CuKα","","0.035","0.0343","","","0.0906","0.0912","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019913","16.703","0.0013","8.0515","0.0006","17.0919","0.0013","90","","90","","90","","2298.6","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-methoxy-2-phenylacetate","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.0757","0.0739","","","0.1663","0.1672","","","","","","1.308","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019935","12.2352","0.0008","26.1845","0.0018","4.0769","0.0003","90","","90","","90","","1306.13","0.16","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl 2-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-2<i>H</i>-1,3-dithiole-4,5-dicarboxylate","","- C13 H10 O6 S2 -","- C13 H10 O6 S2 -","- C52 H40 O24 S8 -","4","1","CU3076","Lissau, Henriette; Jevric, Martyn; Madsen, Anders Østergaard; Nielsen, Mogens Brøndsted","Synthesis of dithiafulvene‒quinone donor‒acceptor systems: isolation of a Michael adduct","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008578","","","0.71073","MoKα","","0.0514","0.0351","","","0.0708","0.077","","","","","","1.0601","","","","has coordinates,has Fobs","209314","2020-10-21","18:00:00",""
"2020143","12.41","","6.22","","10.88","","90","","90","","90","","839.829","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ga2 Sn2 S5","","- Ga2 S5 Sn2 -","- Ga2 S5 Sn2 -","- Ga8 S20 Sn8 -","4","1","","Mazurier, A.; Thevet, F.; Jaulmes, S.","Structure de pentasulfure de digallium et de dietain, Ga2 Sn2 S5","Acta Crystallographica C (39,1983-)","1983","39","","814","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","162365","2020-10-21","18:00:00",""
"2020182","10.713","","4.801","","6.284","","90","","90","","90","","323.206","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li Cd (P O4)","","- Cd Li O4 P -","- Cd Li O4 P -","- Cd4 Li4 O16 P4 -","4","1","","Elammari, L.; Elouadi, B.; Depmeier, W.","Structure of Li Cd P O4","Acta Crystallographica C (39,1983-)","1988","44","","1357","1359","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020234","30","","11.272","","16.053","","90","","90","","90","","5428.48","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","K2 (Fe (C N)5 (N O)) (H2 O)0.8","","- C5 H1.6 Fe K2 N6 O1.8 -","- C5 H1.6 Fe K2 N6 O1.8 -","- C100 H32 Fe20 K40 N120 O36 -","20","5","","Castellano, E.E.; Rivero, B.E.; Amalvy, J.I.; Piro, O.E.","Structures of the potassium nitroprusside 2.5 and 0.8 hydrates","Acta Crystallographica C (39,1983-)","1989","45","","1207","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2020357","21.024","","13.602","","7.1287","","90","","90","","90","","2038.58","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cs (Sb O) (Si2 O6)","","- Cs O7 Sb Si2 -","- Cs O7 Sb Si2 -","- Cs12 O84 Sb12 Si24 -","12","3","","Pagnoux, C.; Verbaere, A.; Tournoux, M.; Piffard, Y.","CsSbO(SiO3)2: A new (uB, 1-1-infinite)(12SiO3) chain silicate","Acta Crystallographica C (39,1983-)","1991","47","","2297","2299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020361","6.75","","6.726","","8.993","","90","","90","","90","","408.287","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cu Na2 (O H)4","","- Cu H4 Na2 O4 -","- Cu H4 Na2 O4 -","- Cu4 H16 Na8 O16 -","4","1","","Riou, A.; Cudennec, Y.; Gerault, Y.","Copper disodium tetrahydroxide","Acta Crystallographica C (39,1983-)","1989","45","","374","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020574","23.5797","0.0019","10.1792","0.0008","4.6031","0.0004","90","","90","","90","","1104.85","0.16","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","b-mFPU","1,3-Bis(3-fluorophenyl)urea","","- C13 H10 F2 N2 O -","- C13 H10 F2 N2 O -","- C52 H40 F8 N8 O4 -","4","1","","Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A.","Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea","Acta Crystallographica Section C","2016","72","9","","","10.1107/S2053229616013565","","","0.71073","MoKα","","0.0333","0.0299","","","0.0696","0.0715","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","186036","2020-10-21","18:00:00",""
"2020629","17.0187","0.0005","9.7329","0.0002","25.7877","0.0008","90","","90","","90","","4271.5","0.2","150","0.1","150","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide","","- C9 Br9 N6 O P -","- C9 Br9 N6 O P -","- C72 Br72 N48 O8 P8 -","8","2","YP3131","Nicolas, Emmanuel; Cheisson, Thibault; de Jong, G. Bas; Tazelaar, Cornelis G. J.; Slootweg, J. Chris","A new synthetic route to the electron-deficient ligand tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide","Acta Crystallographica Section C","2016","72","11","846","849","10.1107/S2053229616015035","","","0.71069","MoKα","","0.093","0.07","","","0.1488","0.1655","","","","","","1.109","","","","has coordinates,has Fobs","188956","2020-10-21","18:00:00",""
"2020656","8.766","0.0003","12.2655","0.0004","16.4903","0.0006","90","","90","","90","","1773.03","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","11,11,12,12-Tetracyano-2,6-diiodo-9,10-anthraquinodimethane","","- C20 H6 I2 N4 -","- C20 H6 I2 N4 -","- C80 H24 I8 N16 -","4","1","YO3023","Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene","Acta Crystallographica Section C","2016","72","12","923","931","10.1107/S2053229616016387","","","0.71073","MoKα","","0.0197","0.0189","","","0.0447","0.045","","","","","","1.167","","","","has coordinates,has Fobs","189972","2020-10-21","18:00:00",""
"2020687","30.5388","0.0009","8.0984","0.0002","15.081","0.0004","90","","90","","90","","3729.76","0.17","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C17 H19 N5 O2 S -","- C17 H19 N5 O2 S -","- C136 H152 N40 O16 S8 -","8","2","WQ3116","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0854","0.0472","","","0.091","0.1045","","","","","","1","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020689","8.843","0.003","17.485","0.005","5.041","0.003","90","","90","","90","","779.4","0.6","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine","","- C6 H9 N3 S -","- C6 H9 N3 S -","- C24 H36 N12 S4 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0492","0.042","","","0.0994","0.1045","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020706","12.8212","0.0005","10.5085","0.0004","10.6608","0.0005","90","","90","","90","","1436.35","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2-Hydroxybenzoyl)carbonohydrazonodithioate","","- C12 H16 N2 O2 S2 -","- C12 H16 N2 O2 S2 -","- C48 H64 N8 O8 S8 -","4","1","FN3226","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0293","0.0291","","","0.0809","0.0814","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","193974","2020-10-21","18:00:00",""
"2020715","17.4366","0.0004","22.7127","0.0005","8.8598","0.0002","90","","90","","90","","3508.77","0.14","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-Benzyl-<i>P</i>-phenyl-<i>N</i>'-(<i>p</i>-tolyl)phosphonic diamide","","- C20 H21 N2 O P -","- C20 H21 N2 O P -","- C160 H168 N16 O8 P8 -","8","2","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0425","0.0355","","","0.084","0.0885","","","","","","1.025","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020972","9.208","0.0004","14.0485","0.0007","10.3826","0.0006","90","","90","","90","","1343.08","0.12","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.7107","MoKα","","0.0442","0.0361","","","0.0814","0.0864","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2021010","13.1596","0.0007","16.2514","0.0009","4.4735","0.0002","90","","90","","90","","956.71","0.09","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-Bromo-2,6-bis(hydroxymethyl)anisole","[5-Bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol","","- C9 H11 Br O3 -","- C9 H11 Br O3 -","- C36 H44 Br4 O12 -","4","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0786","0.0646","","","0.1744","0.1903","","","","","","1.095","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021040","24.3852","0.0012","6.0502","0.0004","5.1","0.003","90","","90","","90","","752.4","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","5-Chloroisatoic anhydride","6-Chloro-2,4-dihydro-1<i>H</i>-3,1-benzoxazine-2,4-dione","","- C8 H4 Cl N O3 -","- C8 H4 Cl N O3 -","- C32 H16 Cl4 N4 O12 -","4","1","KU3216","Pogoda, Dorota; Matera-Witkiewicz, Agnieszka; Listowski, Marcin; Janczak, Jan; Videnova-Adrabinska, Veneta","The role of different nonspecific interactions and halogen contacts in the crystal structure organization of 5-chloroisatoic anhydride","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002280","","","0.71073","MoKα","","0.0379","0.032","","","0.0626","0.0651","","","","","","1","","","","has coordinates,has Fobs","206688","2020-10-21","18:00:00",""
"2021257","26.3672","0.0011","13.0801","0.0005","20.6502","0.0008","90","","90","","90","","7122","0.5","83","2","83","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Pentakis(tetraethylammonium) azidododecavanadate nitromethane monosolvate","","- C41 H103 N9 O34 V12 -","- C41 H103 N9 O34 V12 -","- C164 H412 N36 O136 V48 -","4","1","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.7107","MoKα","","0.04","0.0368","","","0.0854","0.0882","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","211521","2020-10-21","18:00:00",""
"2021375","14.007","0.0011","11.6085","0.0009","7.2286","0.0005","90","","90","","90","","1175.37","0.15","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","benzene-1,3-diaminium tetrachloridozincate(II)","","- C6 H10 Cl4 N2 Zn -","- C6 H10 Cl4 N2 Zn -","- C24 H40 Cl16 N8 Zn4 -","4","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKa","","0.0253","0.0236","","","0.0556","0.0566","","","","","","1.046","","","","has coordinates,has Fobs","212131","2020-10-21","18:00:00",""
"2021632","8.8623","0.0004","14.4656","0.0007","14.2723","0.0007","90","","90","","90","","1829.69","0.15","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>RS</i>)-(<i>E</i>)-4-[2-(4-Chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C21 H20 Cl N5 -","- C21 H20 Cl N5 -","- C84 H80 Cl4 N20 -","4","1","OV3128","Acosta Quintero, Lina M.; Palma, Alirio; Choquesillo-Lazarte, Duane; Cobo, Justo; Glidewell, Christopher","Monoclinic and orthorhombic forms of (<i>RS</i>)-(<i>E</i>)-4-[2-(4-chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine: synthesis, concomitant polymorphism and supramolecular assembly mediated by C—H···N, C—H···π(arene) and C—Cl···π(arene) interactions","Acta Crystallographica Section C","2019","75","6","","","10.1107/S205322961900617X","","","1.54178","CuKα","","0.0476","0.0371","","","0.0836","0.0889","","","","","","1.056","","","","has coordinates,has Fobs","215300","2020-10-21","18:00:00",""
"2021785","24.372","0.0011","31.382","0.007","7.543","0.007","90","","90","","90","","5769","6","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","9,9-Bimethyl-2,7-bis(4-pentylphenyl)-9<i>H</i>-fluorene","","- C37 H42 -","- C37 H42 -","- C296 H336 -","8","2","YP3194","Gupta, Sakuntala; Choudhury, Tanmay; Dmochowska, Ewelina; Kula, Przemyslaw; Borbone, Fabio; Centore, Roberto","Crystal structure and mesogenic behaviour of a new fluorene derivative: 9,9-dimethyl-2,7-bis(4-pentylphenyl)-9<i>H</i>-fluorene","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013007","","x-ray","0.71073","MoKα","","0.0878","0.0546","","","0.1253","0.1407","","","","","","1.048","","","","has coordinates,has Fobs","219108","2020-10-21","18:00:00",""
"2021851","9.3538","0.0002","9.7899","0.0003","19.3432","0.0005","90","","90","","90","","1771.31","0.08","175","","175","","","","","","","","","5","P n a 21","P 2c -2n","33","","Diphenyl (cycloheptylamido)phosphate","","- C19 H24 N O3 P -","- C19 H24 N O3 P -","- C76 H96 N4 O12 P4 -","4","1","YO3071","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; van der Lee, Arie; Chithran, Akshara; Damodaran, Krishnan","Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C~6~H~5~O)~2~P(O)<i>X</i> [<i>X</i>~= NHC~7~H~13~ and N(CH~2~C~6~H~5~)~2~]","Acta Crystallographica Section C","2020","76","1","104","116","10.1107/S2053229619016619","","","0.71073","MoKα","","0.0607","0.0522","","0.1054","0.0964","0.1028","","","","","","0.9502","","","","has coordinates,has Fobs","247888","2020-10-21","18:00:00",""
"2021870","17.02","0.004","13.906","0.003","5.811","0.001","90","","90","","90","","1375.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-diphenylguanidinium nitrate","","- C13 H14 N4 O3 -","- C13 H14 N4 O3 -","- C52 H56 N16 O12 -","4","1","","Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","N,N'-Diphenylguanidinium Nitrate","Acta Crystallographica Section C Crystal Structure Communications","1998","54","6","805","","10.1107/S0108270198003084","","","0.71073","MoKα","","0.062","0.031","","","","0.098","","","","","","0.916","","","","has coordinates","246030","2020-10-21","18:00:00",""
"2021947","18.922","0.005","18.3","0.003","8.072","0.006","90","","90","","90","","2795","2","173","1","173","1","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>R</i>,<i>S</i>)-Mns-Acp-(<i>S</i>,<i>R</i>)-Mns-Acp-NMe~2~","","- C30 H37 N3 O6 -","- C30 H37 N3 O6 -","- C120 H148 N12 O24 -","4","1","KY3193","Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz","Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid","Acta Crystallographica Section C Structural Chemistry","2019","76","1","1","","10.1107/S2053229619016073","","","0.71073","MoKα","","0.1567","0.0551","","","0.1245","0.1609","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","246413","2020-10-21","18:00:00",""
"2021956","15.7712","0.001","13.0392","0.0008","13.0556","0.0008","90","","90","","90","","2684.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","6-Amino-7<i>H</i>-purine-1,9-diium tetrachloridogold(III) chloride monohydrate","","- C5 H9 Au Cl5 N5 O -","- C5 H9 Au Cl5 N5 O -","- C40 H72 Au8 Cl40 N40 O8 -","8","2","JX3049","Savchenkov, Anton; Demina, Ludmila; Safonov, Alexey; Grigoriev, Mikhail; Solovov, Roman; Abkhalimov, Evgeny","Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases","Acta Crystallographica Section C","2020","76","2","","","10.1107/S2053229619016656","","","0.71073","MoKα","","0.0217","0.0195","","","0.0377","0.0383","","","","","","1.054","","","","has coordinates,has Fobs","246948","2020-10-21","18:00:00",""
"2022074","12.584","0.003","9.699","0.002","3.674","0.002","90","","90","","90","","448.4","0.3","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H3 N3 O -","- C4 H3 N3 O -","- C16 H12 N12 O4 -","4","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","","0.0301","0.0265","","","0.0622","0.0658","","","","","","1.0485","","","","has coordinates","250653","2020-10-21","18:00:00",""
"2022198","8.2419","0.0002","28.0429","0.0006","11.5843","0.0003","90","","90","","90","","2677.44","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,7a'<i>SR</i>)-2'-(4-Chlorophenyl)-1-\ benzyl-5-methyl-2''-sulfanylidene-5',6',7',7a'-tetrahydro-2'<i>H</i>-\ dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidine]-2,4''-dione","","- C30 H26 Cl N3 O2 S2 -","- C30 H26 Cl N3 O2 S2 -","- C120 H104 Cl4 N12 O8 S8 -","4","1","KY3198","Romo, Pablo; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Regio- and stereospecific assembly of dispiro[indoline-3,3'-pyrrolizine-1',5''-thiazolidines] from simple precursors using a one-pot procedure: synthesis, spectroscopic and structural characterization, and a proposed mechanism of formation","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009791","","","0.71073","MoKα","","0.0269","0.0259","","","0.0636","0.0643","","","","","","1.048","","","","has coordinates,has Fobs","254507","2020-10-21","18:00:00",""
"2022246","20.5584","0.0007","10.0468","0.0004","4.6417","0.0002","90","","90","","90","","958.73","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-(salicylidene)-3-amino-5-methyl-isoxazole","(<i>E</i>)-2-{[(5-Methylisoxazol-3-yl)imino]methyl}phenol","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","","0.71073","MoKα","","0.0428","0.0365","","","0.0775","0.0808","","","","","","1.05","","","","has coordinates,has Fobs","255750","2020-10-21","18:00:00",""
"2022385","7.896","0.0003","19.6458","0.0008","9.1088","0.0003","90","","90","","90","","1412.99","0.09","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Bromo-3-hydroxy-1-methyl-3-(6-oxocyclohex-1-en-1-yl)indolin-2-one","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C60 H56 Br4 N4 O12 -","4","1","EF3014","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan","Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621004940","","","0.71073","MoKα","","0.0367","0.0331","","","0.0971","0.1013","","","","","","1.134","","","","has coordinates,has Fobs","265536","2021-05-27","05:11:03",""
"2022386","8.581","0.0002","9.2648","0.0003","11.4073","0.0004","90","","90","","90","","906.89","0.05","153","1","153","1","","","","","","","","5","P n a 21","P 2c -2n","33","","Potassium triiodidomercurate(II) monohydrate","","- H2 Hg I3 K O -","- H2 Hg I3 K O -","- H8 Hg4 I12 K4 O4 -","4","1","WM5609","Chocolatl Torres, Misael; Bernès, Sylvain; Salazar Kuri, Ulises","Refinement of K[HgI3]·H2O using non-spherical atomic form factors","Acta Crystallographica Section E Crystallographic Communications","2021","77","7","681","685","10.1107/S2056989021005582","","x-ray","0.56083","AgKα","","0.0363","0.0214","","","0.0353","0.0381","","","","","","0.8712","","","","has coordinates,has Fobs","265824","2021-06-05","05:26:11",""
"2022469","12.2569","0.0003","8.9658","0.0002","16.5739","0.0004","90","","90","","90","","1821.35","0.07","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-fluorophenyl)imino]methyl}phenol","","- C21 H26 F N O -","- C21 H26 F N O -","- C84 H104 F4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0371","0.0341","","","0.0749","0.0765","","","","","","1.046","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:24",""
"2022514","23.5976","0.0006","11.8723","0.0003","22.2989","0.0006","90","","90","","90","","6247.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>cyclo</i>-Tetrakis(μ-2-methoxy-6-{[2-(pyridin-2-yl)hydrazin-1-ylidene]methyl}phenolato)tetranickel(II) tetrakis(perchlorate) acetonitrile monosolvate dihydrate","","- C54 H55 Cl4 N13 Ni4 O26 -","- C54 H55 Cl4 N13 Ni4 O26 -","- C216 H220 Cl16 N52 Ni16 O104 -","4","1","YY2002","Patel, R. N.; Patel, S. K.; Patel, A. K.; Patel, N.; Butcher, Ray J.","A tetranuclear nickel(II) complex, [Ni4(L)4](ClO4)4·C2H3N·2H2O, with an asymmetric Ni4O4 open-cubane-like core","Acta Crystallographica Section E Crystallographic Communications","2022","78","2","","","10.1107/S2056989021012408","","","0.71073","MoKα","","0.0705","0.0476","","","0.1121","0.125","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","272054","2022-01-15","02:38:02",""
"2022521","18.4026","0.0002","10.90882","0.00015","7.37881","0.00009","90","","90","","90","","1481.3","0.03","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","2,5-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,5-Diethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.022","0.0217","","","0.0594","0.0596","","","","","","1.047","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022629","15.58979","0.00016","10.33883","0.0001","9.91195","0.00009","90","","90","","90","","1597.61","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(4-Bromophenyl)-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonitrile","","- C19 H13 Br N2 O -","- C19 H13 Br N2 O -","- C76 H52 Br4 N8 O4 -","4","1","VM2267","Naghiyev, Farid N.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 2-(4-bromophenyl)-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E Crystallographic Communications","2022","78","8","","","10.1107/S2056989022006466","","","1.54178","CuKα","","0.0371","0.037","","","0.099","0.0991","","","","","","1.049","","","","has coordinates,has Fobs","276585","2022-07-06","01:50:45",""
"2022750","14.587","0.003","17.25","0.003","6.804","0.0014","90","","90","","90","","1712.1","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(<i>S</i>)-<i>N</i>-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propylaminium chloride","","- C18 H20 Cl N O S -","- C18 H20 Cl N O S -","- C72 H80 Cl4 N4 O4 S4 -","4","1","HB8060","Bhadbhade, Mohan M.; Gao, Jiabin; Rich, Anne M.; Marjo, Christopher E.","Structure of racemic duloxetine hydro-chloride.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","488","493","10.1107/S2056989023003353","","","0.71073","Synchrotron","","0.0255","0.0252","","","0.0658","0.066","","","","","","1.096","","","","has coordinates,has Fobs","284376","2023-06-06","05:32:29",""
"2022806","5.8655","0.0005","14.3499","0.0017","16.4803","0.0019","90","","90","","90","","1387.1","0.3","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3-dihydrobenzo[<i>b</i>][1,4]dioxin-6-yl)prop-2-en-1-one","","- C17 H13 Cl O3 -","- C17 H13 Cl O3 -","- C68 H52 Cl4 O12 -","4","1","VM2285","Vinaya,; Richard, Austin S.; Murthy, Subbiah M.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chlorophenyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","674","677","10.1107/S2056989023005613","","","0.71073","MoKα","","0.0371","0.0334","","","0.0806","0.0827","","","","","","1.065","","","","has coordinates,has Fobs","284742","2023-07-01","01:50:38",""
"2022899","14.592","0.002","9.3121","0.0011","26.795","0.004","90","","90","","90","","3641","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Deferiprone-Pyrogallol (2:4)","","","- C19 H21 N O8 -","- C19 H21 N O8 -","- C152 H168 N8 O64 -","8","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","","0.1648","0.073","","","0.1301","0.1557","","","","","","1.046","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:56",""
"2022929","20.3549","0.0002","10.2084","0.0001","13.031","0.0001","90","","90","","90","","2707.72","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakis(pyridine-3-carbonitrile)dithiocyanatoiron(II)","","- C26 H16 Fe N10 S2 -","- C26 H16 Fe N10 S2 -","- C104 H64 Fe4 N40 S8 -","4","1","HB8079","Näther, Christian; Müller-Meinhard, Asmus; Jess, Inke","Synthesis, crystal structure and properties of tetra-kis-(pyridine-3-carbo-nitrile)-dithio-cyanatoiron(II) and of diaqua-bis-(pyridine-3-carbo-nitrile)-di-thio-cyanatoiron(II) pyridine-3-carbo-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1093","1099","10.1107/S205698902300909X","","x-ray","1.54178","CuKα","","0.0269","0.0267","","","0.0736","0.0738","","","","","","1.063","","","","has coordinates,has Fobs","288128","2023-12-07","11:47:48",""
"2022958","5.3854","0.0013","5.3676","0.0013","17.051","0.004","90","","90","","90","","492.9","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Dioxidodibismuth(III) hydroxide nitrate","","- Bi2 H N O6 -","- Bi2 N O6 -","- Bi8 N4 O24 -","4","1","HB8084","Weil, Matthias; Missen, Owen P.; Mills, Stuart J.","Dimorphism of [Bi2O2(OH)](NO3) – the ordered Pna21 structure at 100 K","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1223","1227","10.1107/S205698902301023X","","","0.71073","MoKα","","0.038","0.0298","","","0.055","0.0574","","","","","","0.984","","","","has coordinates,has Fobs","287923","2023-12-01","03:12:50",""
"2023007","10.4316","0.0007","25.1732","0.0017","7.7756","0.0005","90","","90","","90","","2041.8","0.2","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C16 H24 B F3 O5 S Si -","- C16 H24 B F3 O5 S Si -","- C64 H96 B4 F12 O20 S4 Si4 -","4","1","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl <i>ortho</i>-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.047","0.0404","","","0.0876","0.0912","","","","","","1.039","","","","has coordinates,has Fobs","290337","2024-03-05","20:44:19",""
"2100007","19.499","0.003","4.7884","0.0006","15.106","0.002","90","","90","","90","","1410.4","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-pyrimidyne","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","1","AV5023","Eugenia V. Peresypkina; Mark B. Bushuev; Alexander V. Virovets; Victor P. Krivopalov; Ludmila G. Lavrenova; Stanislav V. Larionov","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","","0.1646","0.0594","","","0.1363","0.1813","","","","","","0.91","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100121","29.207","","4.524","","7.339","","90","","90","","90","","969.72","","","","","","","","","","","","","4","P n a 21","","","","","","- C2 H8 O Si -","- C2 H8 O Si -","- C16 H64 O8 Si8 -","8","2","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100269","4.9208","0.0004","8.2302","0.001","9.598","0.0016","90","","90","","90","","388.71","0.09","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cyclobutanol","","","- C4 H8 O -","- C4 H8 O -","- C16 H32 O4 -","4","1","WS5024","Dave Allan, D","The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)","Acta Crystallographica Section B","2005","61","4","449","454","10.1107/S0108768105019191","","","0.71073","MoKα","","0.0819","0.0708","","","0.1553","0.1615","","","","","","1.145","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100432","20.3441","0.0007","11.9481","0.0004","15.9661","0.0007","90","","90","","90","","3880.9","0.3","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,1-bis(tert-butylamino)-3,3,5,5-tetrachlorocyclotriphosphazene","","- C8 H20 Cl4 N5 P3 -","- C8 H20 Cl4 N5 P3 -","- C64 H160 Cl32 N40 P24 -","8","2","DE5025","Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker","Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives","Acta Crystallographica Section B","2006","62","2","321","329","10.1107/S0108768106000851","","","0.71073","MoKα","","0.0974","0.053","","","0.0926","0.1072","","","","","","1.021","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100632","11.9602","0.0003","18.6249","0.0005","19.9648","0.0005","90","","90","","90","","4447.3","0.2","120","","120","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C52 H52 O10 -","- C52 H52 O10 -","- C208 H208 O40 -","4","1","SN5034","R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida","Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone","Acta Crystallographica, Section B","2006","62","4","843","849","10.1107/S0108768106019616","","","0.71073","MoKα","","0.0481","0.0286","","","","0.0213","","","","","","1.5864","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100790","15.219","0.002","5.169","0.001","22.457","0.004","90","","90","","90","","1766.6","0.5","","","","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- C13 H28 N4 O8 -","- C13 H28 N4 O8 -","- C52 H112 N16 O32 -","4","1","AS0537","Ramaswamy, S.; Murthy, M. R. N.","Crystal and molecular structures of propanediamine complexed with <small>L</small>- and <small>DL</small>-glutamic acid: effect of chirality on propanediamine","Acta Crystallographica Section B","1992","48","4","488","492","10.1107/S010876819200065X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100797","13.264","0.002","6.682","0.002","10.7697","0.0009","90","","90","","90","","954.5","0.3","","","","","","","","","","","","4","P n a 21","","","","","","- As O5 Rb Ti -","- As2 O10 Rb2 Ti2 -","- As8 O40 Rb8 Ti8 -","4","1","HA0083","Thomas, P. A.; Mayo, S. C.; Watts, B. E.","Crystal structures of RbTiOAsO~4~, KTiO(P~0.58~,As~0.42~)O~4~, RbTiOPO~4~ and (Rb~0.465~,K~0.535~)TiOPO~4~, and analysis of pseudosymmetry in crystals of the KTiOPO~4~ family","Acta Crystallographica Section B","1992","48","4","401","407","10.1107/S0108768192002465","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100798","12.962","0.002","6.479","0.002","10.691","0.003","90","","90","","90","","897.8","0.4","","","","","","","","","","","","5","P n a 21","","","","","","- As K O5 P Ti -","- As K2 O10 P Ti2 -","- As4 K8 O40 P4 Ti8 -","4","1","HA0083","Thomas, P. A.; Mayo, S. C.; Watts, B. E.","Crystal structures of RbTiOAsO~4~, KTiO(P~0.58~,As~0.42~)O~4~, RbTiOPO~4~ and (Rb~0.465~,K~0.535~)TiOPO~4~, and analysis of pseudosymmetry in crystals of the KTiOPO~4~ family","Acta Crystallographica Section B","1992","48","4","401","407","10.1107/S0108768192002465","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100799","12.974","0.002","6.494","0.003","10.564","0.006","90","","90","","90","","890.1","0.7","","","","","","","","","","","","4","P n a 21","","","","","","- O5 P Rb Ti -","- O10 P2 Rb2 Ti2 -","- O40 P8 Rb8 Ti8 -","4","1","HA0083","Thomas, P. A.; Mayo, S. C.; Watts, B. E.","Crystal structures of RbTiOAsO~4~, KTiO(P~0.58~,As~0.42~)O~4~, RbTiOPO~4~ and (Rb~0.465~,K~0.535~)TiOPO~4~, and analysis of pseudosymmetry in crystals of the KTiOPO~4~ family","Acta Crystallographica Section B","1992","48","4","401","407","10.1107/S0108768192002465","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100800","12.908","0.006","6.436","0.003","10.597","0.005","90","","90","","90","","880.4","0.7","","","","","","","","","","","","5","P n a 21","","","","","","- K O5 P Rb Ti -","- K O10 P2 Rb Ti2 -","- K4 O40 P8 Rb4 Ti8 -","4","1","HA0083","Thomas, P. A.; Mayo, S. C.; Watts, B. E.","Crystal structures of RbTiOAsO~4~, KTiO(P~0.58~,As~0.42~)O~4~, RbTiOPO~4~ and (Rb~0.465~,K~0.535~)TiOPO~4~, and analysis of pseudosymmetry in crystals of the KTiOPO~4~ family","Acta Crystallographica Section B","1992","48","4","401","407","10.1107/S0108768192002465","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100978","25.777","0.005","6.333","0.002","5.814","0.004","90","","90","","90","","949.1","0.7","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C5 H8 As N3 O6 -","- C5 H8 As N3 O6 -","- C20 H32 As4 N12 O24 -","4","1","PA0284","Pecaut, J.; Le Fur, Y.; Masse, R.","Crystal engineering and structural investigations of the 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^}","Acta Crystallographica Section B","1993","49","3","535","541","10.1107/S0108768192011431","","","0.5608","Ag","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101068","18.364","0.004","10.485","0.003","9.031","0.004","90","","90","","90","","1738.9","1","","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","HH0633","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Cyclooctatetraene formation in the photolyses of dibenzobarrelene diesters","Acta Crystallographica Section B","1993","49","6","1049","1052","10.1107/S0108768193006196","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101196","12.85","0.0008","6.4136","0.0003","10.5912","0.0007","90","","90","","90","","872.87","0.09","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- K0.86 O5 P Rb0.14 Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","HA0130","Thomas, P. A.; Duhlev, R.; Teat, S. J.","A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~","Acta Crystallographica Section B","1994","50","5","538","543","10.1107/S0108768194003150","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101197","12.858","0.003","6.4125","0.0007","10.592","0.001","90","","90","","90","","873.3","0.2","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- K0.84 O5 P Rb0.16 Ti -","- K O5 P Rb0.5 Ti -","- K8 O40 P8 Rb4 Ti8 -","8","2","HA0130","Thomas, P. A.; Duhlev, R.; Teat, S. J.","A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~","Acta Crystallographica Section B","1994","50","5","538","543","10.1107/S0108768194003150","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101228","13.13","0.002","6.581","0.001","10.781","0.001","90","","90","","90","","931.6","0.2","","","","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- As K O5 Ti -","- As K O5 Ti -","- As8 K8 O40 Ti8 -","8","2","HA0133","Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N.","Structure and non-linear optical properties of KTiOAsO~4~","Acta Crystallographica Section B","1994","50","6","655","662","10.1107/S0108768194006300","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101376","8.619","0.0006","10.9705","0.0006","18.7157","0.0006","90","","90","","90","","1769.66","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z,Z)-4-methyl-N-[1-(4-methylphenyl)-phenylimino-ethylidene]- -benzenimine-N-oxide","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","PA0301","Olszewski, P. K.; Milart, P.; Stadnicka, K.","Structure of (<i>Z</i>,<i>Z</i>)-<i>N</i>-{[2-(4-methylphenyl)-2-(4-methylphenyl)imino]ethylidene}aniline <i>N</i>-oxide: conjugation in systems with the nitrone moiety","Acta Crystallographica Section B","1995","51","5","867","873","10.1107/S0108768195000085","","","1.54056","CuKα~1~","","0.0371","0.037","","0.0865","0.0865","","","","1.107","1.107","1.107","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101434","18.64","0.005","13.088","0.008","7.502","0.004","90","","90","","90","","1830.2","1.6","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C16 H21 N3 O7 S -","- C16 H21 N3 O7 S -","- C64 H84 N12 O28 S4 -","4","1","BK0027","Russell, V. A.; Ward, M. D.","Solid-state structure of a layered hydrogen-bonded salt: guanidinium 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate methanol solvate","Acta Crystallographica Section B","1996","52","1","209","214","10.1107/S0108768195009980","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101445","14.867","0.001","8.109","0.001","14.944","0.001","90","","90","","90","","1801.6","0.3","","","","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C80 H56 Cl8 O16 -","4","1","FG0003","Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes","Acta Crystallographica Section B","1996","52","1","151","158","10.1107/S0108768195005854","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101477","4.9839","0.0001","8.5544","0.0002","9.2413","0.0002","90","","90","","90","","393.996","0.015","298","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- Al Fe O3 -","- Al Fe O3 -","- Al8 Fe8 O24 -","8","2","BR0041","Bouree, F.; Baudour, J. L.; Elbadraoui, E.; Musso, J.; Laurent, C.; Rousset, A.","Crystal and magnetic structure of piezoelectric, ferrimagnetic and magnetoelectric aluminium iron oxide FeAlO~3~ from neutron powder diffraction","Acta Crystallographica Section B","1996","52","2","217","222","10.1107/S0108768195010330","","neutron","1.2268","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101478","4.9792","0.0001","8.5466","0.0002","9.2345","0.0002","90","","90","","90","","392.976","0.015","30","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- Al Fe O3 -","- Al Fe O3 -","- Al8 Fe8 O24 -","8","2","BR0041","Bouree, F.; Baudour, J. L.; Elbadraoui, E.; Musso, J.; Laurent, C.; Rousset, A.","Crystal and magnetic structure of piezoelectric, ferrimagnetic and magnetoelectric aluminium iron oxide FeAlO~3~ from neutron powder diffraction","Acta Crystallographica Section B","1996","52","2","217","222","10.1107/S0108768195010330","","neutron","1.2268","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101628","19.934","0.003","12.68","0.002","9.092","0.003","90","","90","","90","","2298.1","0.9","291","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C17 H40 N4 O3 S -","- C17 H40 N4 O3 S -","- C68 H160 N16 O12 S4 -","4","1","CR0511","Li, Q.; Mak, T. C. W.","Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions","Acta Crystallographica Section B","1996","52","6","989","998","10.1107/S010876819600451X","","","0.71073","MoKα","","","0.047","","","0.053","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101698","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation 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",""
"2101699","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation 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",""
"2101700","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation 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",""
"2101701","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation 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",""
"2101929","11.31","0.001","23.183","0.004","9.462","0.001","90","","90","","90","","2480.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N5 O11 -","- C21 H21 N5 O11 -","- C84 H84 N20 O44 -","4","1","BM0007","Zaderenko, Paula; Gil, Ma. Soledad; López, Pilar; Ballesteros, Paloma; Fonseca, Isabel; Albert, Armando","Diethyl 2-Benzimidazol-1-ylsuccinate‒Picric Acid (1/1) ‒ An Inclusion Molecular Complex","Acta Crystallographica Section B","1997","53","6","961","967","10.1107/S0108768197008562","","","1.5418","CuKα","","0.1029","0.0785","","0.216","0.1889","","","","1.135","1.177","1.177","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101954","8.444","0.002","7.378","0.002","5.1416","0.0006","90","","90","","90","","320.32","0.12","293","2","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","SH0093","Le Hénaff, C.; Hansen, N. K.; Protas, J.; Marnier, G.","Electron Density Distribution in LiB~3~O~5~ at 293 K","Acta Crystallographica Section B","1997","53","6","870","879","10.1107/S0108768197007817","","","0.56087","AgKα","","","0.0147","","","0.0193","","","","","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101968","16.467","0.003","33.109","0.008","8.344","0.001","90","","90","","90","","4549.2","1.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H78 N6 O13 -","- C35 H78 N6 O13 -","- C140 H312 N24 O52 -","4","1","HR0043","Feng Xue; Thomas C. W. Mak","Channel- and layer-type anionic host structures in inclusion compounds of urea, tetraalkylammonium terephthalate/trimesate and water","Acta Crystallographica Section B","2000","56","1","142","154","10.1107/S0108768199011283","","","0.71073","MoKα","","0.1692","0.0577","","","","0.1732","","","","","","0.953","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102159","13.2352","0.0011","6.6666","0.0007","10.7483","0.0009","90","0.008","90","0.008","90","0.008","948.36","0.15","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- As O5 Rb Ti -","- As O5 Rb2 Ti -","- As8 O40 Rb16 Ti8 -","8","2","OS0048","Streltsov, Victor A.; Nordborg, Jenni; Albertsson, Jörgen","Synchrotron X-ray analysis of RbTiOAsO~4~","Acta Crystallographica Section B","2000","56","5","785","792","10.1107/S0108768100006285","","","0.75","synchrotron_xray_vertical_wiggler","","0.0179","0.0179","","0.0152","","0.0152","","","1.22","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102192","14.3179","0.0004","7.1112","0.0002","10.1023","0.0003","90","","90","","90","","1028.59","0.05","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cu7 P Se6 -","- Cu7 P Se6 -","- Cu28 P4 Se24 -","4","1","LC0028","Gaudin, E.; Petricek, V.; Boucher, F.; Taulelle, F.; Evain, M.","Structures and phase transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) argyrodite-type ionic conductors. III. α-Cu~7~PSe~6~","Acta Crystallographica Section B","2000","56","6","972","979","10.1107/S0108768100010260","","x-ray","0.71073","MoKα","","0.2954","0.0466","","","0.0486","0.0804","","","","0.62","0.62","1.06","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2102203","12.786","0.002","6.3927","0.0008","10.5585","0.0009","90","","90","","90","","863.02","0.19","293","1","293","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- Cr0.05 K0.87 O5 P Sr0.06 Ti0.95 -","- Cr0.0485 K0.8695 O5 P Sr0.058 Ti0.9515 -","- Cr0.388 K6.956 O40 P8 Sr0.464 Ti7.612 -","8","2","OS0060","Norberg, Stefan T.; Streltsov, Victor A.; Svensson, Göran; Albertsson, Jörgen","Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation","Acta Crystallographica Section B","2000","56","6","980","987","10.1107/S0108768100012866","","","0.75","synchrotronx-rayverticalwiggler","","0.028","0.028","","0.032","","0.032","","","2.493","","","2.493","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2102204","12.851","0.006","6.418","0.003","10.62","0.005","90","","90","","90","","875.9","0.7","120","1","120","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ba0.06 K0.88 O5 P Ti -","- Ba0.0615 K0.8775 O5 P Ti -","- Ba0.492 K7.02 O40 P8 Ti8 -","8","2","OS0060","Norberg, Stefan T.; Streltsov, Victor A.; Svensson, Göran; Albertsson, Jörgen","Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation","Acta Crystallographica Section B","2000","56","6","980","987","10.1107/S0108768100012866","","","0.75","synchrotronx-rayverticalwiggler","","0.033","0.031","","0.051","","0.045","","","3.34","","","2.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102539","14.0059","0.0001","5.1399","0.0001","41.9853","0.0006","90","","90","","90","","3022.48","0.08","78","2","78","2","","","","","","","","4","P n a 21","P 2c -2n","33","","alpha form of 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","","- C17 H12 N4 O4 -","- C17 H12 N4 O4 -","- C136 H96 N32 O32 -","8","2","OG0001","Ohashi, Yuji","Packing-dependent photochromism: the case of photoinduced intramolecular proton transfer in 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","Acta Crystallographica Section B","2004","60","3","343","349","10.1107/S0108768104005506","","","0.71073","MoKα","","0.1017","0.064","","","0.1564","0.1794","","","","","","1.033","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102596","12.2403","0.0008","13.8088","0.0009","7.4287","0.0005","90","","90","","90","","1255.63","0.14","300","","300","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(4-methoxybenzylidene)-4-methylaniline","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0773","0.0545","","","0.1415","0.1614","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102597","12.0319","0.0017","13.819","0.0019","7.263","0.001","90","","90","","90","","1207.6","0.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(4-methoxybenzylidene)-4-methylaniline","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0356","0.0338","","","0.091","0.0925","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103272","7.1298","0.0002","30.7247","0.0013","6.8691","0.0002","90","","90","","90","","1504.75","0.09","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","1","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0753","0.0446","","","0.0822","0.0998","","","","","","1.058","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103490","14.024","0.002","13.182","0.002","3.677","0.001","90","","90","","90","","679.7","0.2","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.0429","0.0412","","","0.121","0.1232","","","","","","1.163","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103491","14.04","0.004","13.208","0.004","3.694","0.001","90","","90","","90","","685","0.3","130","1","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene?","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.062","0.0561","","","0.1398","0.1423","","","","","","1.183","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103492","14.052","0.004","13.224","0.004","3.714","0.001","90","","90","","90","","690.1","0.3","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.0619","0.054","","","0.1307","0.1554","","","","","","1.167","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103493","14.069","0.002","13.245","0.002","3.738","0.001","90","","90","","90","","696.6","0.2","200","1","200","1","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.0593","0.054","","","0.1398","0.1456","","","","","","1.045","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103494","14.084","0.004","13.292","0.004","3.802","0.001","90","","90","","90","","711.8","0.3","300","1","300","1","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.098","0.0797","","","0.222","0.2379","","","","","","1.203","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103915","12.7919","0.0005","6.3798","0.0004","10.588","0.0007","90","","90","","90","","864.08","0.09","10.5","0.3","10.5","0.3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- K1.886 Na0.114 O10 P2 Ti2 -","- K1.886 Na0.114 O10 P2 Ti2 -","- K7.544 Na0.456 O40 P8 Ti8 -","4","1","OS0106","Norberg, Stefan T.; Sobolev, Alexander N.; Streltsov, Victor A.","Cation movement and phase transitions in KTP isostructures; X-ray study of sodium-doped KTP at 10.5K","Acta Crystallographica Section B","2003","59","3","353","360","10.1107/S0108768103008450","","","0.71073","MoKα","","0.017","0.017","","0.037","0.037","0.037","","","1.182","","","1.182","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2103916","12.806","0.001","6.3889","0.0006","10.588","0.001","90","","90","","90","","866.27","0.13","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- K1.886 Na0.114 O10 P2 Ti2 -","- K1.886 Na0.114 O10 P2 Ti2 -","- K7.544 Na0.456 O40 P8 Ti8 -","4","1","OS0106","Norberg, Stefan T.; Sobolev, Alexander N.; Streltsov, Victor A.","Cation movement and phase transitions in KTP isostructures; X-ray study of sodium-doped KTP at 10.5K","Acta Crystallographica Section B","2003","59","3","353","360","10.1107/S0108768103008450","","","0.71073","MoKα","","0.016","0.016","","0.024","0.024","0.024","","","1.123","","","1.123","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2103975","12.9625","0.0015","6.5031","0.0003","10.5615","0.0003","90","","90","","90","","890.3","0.11","293","2","293","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- O10 P2 Rb2 Ti2 -","- O10 P2 Rb2 Ti2 -","- O40 P8 Rb8 Ti8 -","4","1","OS0109","Norberg, Stefan T.; Gustafsson, Joacim; Mellander, Bengt-Erik","Phase transitions in KTP isostructures: correlation between structure and <i>T</i>~<i>c~</i> in germanium-doped RbTiOPO~4~","Acta Crystallographica Section B","2003","59","5","588","595","10.1107/S0108768103018688","","","0.71073","MoKα","","0.024","0.024","","0.037","0.037","0.037","","","1.127","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103976","12.9386","0.0018","6.5085","0.0008","10.4408","0.001","90","","90","","90","","879.23","0.18","293","2","293","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ge0.121 O10 P2 Rb2 Ti1.879 -","- Ge0.121 O10 P2 Rb2 Ti1.879 -","- Ge0.484 O40 P8 Rb8 Ti7.516 -","4","1","OS0109","Norberg, Stefan T.; Gustafsson, Joacim; Mellander, Bengt-Erik","Phase transitions in KTP isostructures: correlation between structure and <i>T</i>~<i>c~</i> in germanium-doped RbTiOPO~4~","Acta Crystallographica Section B","2003","59","5","588","595","10.1107/S0108768103018688","","","0.71073","MoKα","","0.021","0.021","","0.032","0.032","0.032","","","1.046","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103977","12.9179","0.0012","6.5189","0.0008","10.3633","0.0014","90","","90","","90","","872.7","0.18","293","2","293","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ge0.35 O10 P2 Rb2 Ti1.65 -","- Ge0.35 O10 P2 Rb2 Ti1.65 -","- Ge1.4 O40 P8 Rb8 Ti6.6 -","4","1","OS0109","Norberg, Stefan T.; Gustafsson, Joacim; Mellander, Bengt-Erik","Phase transitions in KTP isostructures: correlation between structure and <i>T</i>~<i>c~</i> in germanium-doped RbTiOPO~4~","Acta Crystallographica Section B","2003","59","5","588","595","10.1107/S0108768103018688","","","0.71073","MoKα","","0.025","0.025","","0.039","0.039","0.039","","","1.044","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2104200","14.842","0.003","9.3475","0.0019","21.624","0.004","90","","90","","90","","3000","1","175","2","175","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H30 Cl9 P3 Sb2 -","- C9 H30 Cl9 P3 Sb2 -","- C36 H120 Cl36 P12 Sb8 -","4","1","BM5058","Gagor, Anna; Wojtaś, Maciej; Pietraszko, Adam; Jakubas, Ryszard","From six- to five-coordinated Sb^III^ in [(CH~3~)~3~PH]~3~[Sb~2~Cl~9~]: transition pathways from single-crystal X-ray diffraction","Acta Crystallographica Section B","2008","64","5","558","566","10.1107/S0108768108027353","","","0.71073","MoKα","","0.0641","0.0257","","","0.0494","0.0605","","","","","","0.942","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2104353","14.3479","0.001","15.2867","0.0011","8.6765","0.0006","90","","90","","90","","1903","0.2","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","Hantzsch 1,4-dihydropyridine ester","diethyl-2,6-dimethyl-1,4 dihydro-4-(3-nitrophenyl)-3,5-pyridine dicarboxylate","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C76 H88 N8 O24 -","4","1","EB5001","Rathore, R. S.; Reddy, B. Palakshi; Vijayakumar, V.; Ragavan, R. Venkat; Narasimhamurthy, T.","Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs","Acta Crystallographica Section B","2009","65","3","375","381","10.1107/S0108768109004832","","","0.71073","MoKα","","0.0635","0.0454","","","0.0984","0.1072","","","","","","1.111","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104398","8.3086","0.0002","36.1529","0.0008","9.1975","0.0002","90","","90","","90","","2762.74","0.11","80","2","80","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.0709","0.0412","","","0.0629","0.0676","","","","","","0.801","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104400","8.561","0.002","37.414","0.009","9.452","0.002","90","","90","","90","","3027.5","1.2","400","2","400","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.186","0.0374","","","0.0843","0.1003","","","","","","0.529","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104623","26.4353","0.0019","5.1398","0.0004","9.0845","0.0006","90","","90","","90","","1234.33","0.15","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","chlorpropamide, ε`-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.073","0.0466","","","0.0833","0.0878","","","","","","0.971","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104624","19.805","0.002","7.35","0.0007","9.1295","0.0009","90","","90","","90","","1329","0.2","250","2","250","2","","","","","","","","6","P n a 21","P 2c -2n","33","chlorpropamide, ε-form","4-chloro-<i>N</i>-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.0873","0.0442","","","0.091","0.0984","","","","","","0.849","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104625","26.455","0.004","5.1924","0.0009","9.1219","0.0011","90","","90","","90","","1253","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","chlorpropamide, ε`-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.1103","0.0542","","","0.1186","0.1274","","","","","","0.902","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104635","20.574","0.0005","25.593","0.0008","10.586","0.0007","90","","90","","90","","5574.1","0.4","100","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C129 H132 Ag2 Br2 N P6 -","- C129 H132 Ag2 Br2 N P6 -","- C258 H264 Ag4 Br4 N2 P12 -","2","0.5","PS5003","Omondi, Bernard; Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout","Isomorphism in monomeric 1:3 complexes of silver(I) salts with tri-<i>p</i>-tolylphosphine","Acta Crystallographica Section B","2009","65","6","699","706","10.1107/S0108768109036404","","","0.71069","MoKα","","","0.0426","","","","0.0947","","","","","","1.059","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104636","20.134","0.005","25.899","0.0006","10.636","0.0002","90","","90","","90","","5546.1","1.4","100","2","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C128 H126 Ag2 N2 O P6 S2 -","- C128 H126 Ag2 N2 O P6 S2 -","- C256 H252 Ag4 N4 O2 P12 S4 -","2","0.5","PS5003","Omondi, Bernard; Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout","Isomorphism in monomeric 1:3 complexes of silver(I) salts with tri-<i>p</i>-tolylphosphine","Acta Crystallographica Section B","2009","65","6","699","706","10.1107/S0108768109036404","","","0.71069","MoKα","","","0.0336","","","","0.0744","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104637","19.8625","0.0008","25.3785","0.0009","11.6858","0.0005","90","","90","","90","","5890.6","0.4","100","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C66 H69 Ag Cl O5 P3 -","- C66 H69 Ag Cl O5 P3 -","- C264 H276 Ag4 Cl4 O20 P12 -","4","1","PS5003","Omondi, Bernard; Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout","Isomorphism in monomeric 1:3 complexes of silver(I) salts with tri-<i>p</i>-tolylphosphine","Acta Crystallographica Section B","2009","65","6","699","706","10.1107/S0108768109036404","","","0.71073","MoKα","","","0.0397","","","","0.1091","","","","","","1.039","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105127","12.4043","0.0006","8.9918","0.0005","16.6903","0.0007","90","","90","","90","","1861.59","0.16","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H27 N O -","- C21 H27 N O -","- C84 H108 N4 O4 -","4","1","OG5057","Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Relation between photochromic properties and molecular structures in salicylideneaniline crystals","Acta Crystallographica Section B","2012","68","3","297","304","10.1107/S0108768112010993","","","0.71075","MoKα","","0.044","0.0388","","","0.0982","0.1009","","","","","","1.057","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105143","11.994","0.002","6.0103","0.0016","5.8421","0.0005","90","","90","","90","","421.14","0.14","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0637","0.0395","","","0.0701","0.0771","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105144","11.938","0.003","5.9485","0.0018","5.8266","0.0006","90","","90","","90","","413.77","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0614","0.0415","","","0.0744","0.0811","","","","","","1.051","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105145","11.852","0.002","5.8715","0.0014","5.8057","0.0005","90","","90","","90","","404.01","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0605","0.0391","","","0.0634","0.0687","","","","","","1.019","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105146","11.7991","0.0015","5.7917","0.0015","5.79","0.0004","90","","90","","90","","395.67","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0497","0.0367","","","0.0629","0.0671","","","","","","1.047","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105147","11.77","0.003","5.751","0.004","5.7748","0.0008","90","","90","","90","","390.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0673","0.0463","","","0.0753","0.0813","","","","","","1.062","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105148","11.677","0.002","5.705","0.002","5.7311","0.0008","90","","90","","90","","381.79","0.16","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0674","0.042","","","0.0611","0.0686","","","","","","0.993","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105149","11.6535","0.0018","5.681","0.003","5.7217","0.0006","90","","90","","90","","378.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0562","0.0374","","","0.0543","0.0589","","","","","","1.003","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105150","11.617","0.003","5.611","0.004","5.7156","0.0015","90","","90","","90","","372.6","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0631","0.0403","","","0.0668","0.0731","","","","","","0.996","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105151","11.5877","0.0017","5.617","0.003","5.6894","0.0005","90","","90","","90","","370.3","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0595","0.04","","","0.0591","0.0634","","","","","","1.028","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105152","11.572","0.004","5.567","0.005","5.671","0.0011","90","","90","","90","","365.3","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0664","0.0411","","","0.0697","0.0777","","","","","","0.95","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105153","11.537","0.003","5.554","0.003","5.6456","0.0008","90","","90","","90","","361.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0599","0.0419","","","0.0715","0.0787","","","","","","1.048","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105154","11.4915","0.0017","5.5249","0.0018","5.6262","0.0005","90","","90","","90","","357.2","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0583","0.0412","","","0.0661","0.0706","","","","","","1.089","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105155","11.452","0.003","5.516","0.003","5.606","0.0007","90","","90","","90","","354.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-2-Aminopropionic Acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5051","Tumanov, Nikolay A.; Boldyreva, Elena V.","X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions","Acta Crystallographica Section B","2012","68","4","412","423","10.1107/S0108768112028972","","","0.71073","MoKα","","0.0655","0.04","","","0.0635","0.0707","","","","","","0.995","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105244","7.636","0.0003","30.0364","0.0013","6.2787","0.0002","90","","90","","90","","1440.07","0.1","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C48 H76 N4 O28 -","4","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","","0.0405","0.0302","","","0.0577","0.0593","","","","","","0.897","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105367","10.42","","5.78","","8.95","","90","","90","","90","","539.037","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ag4 S O2 N2","","- Ag4 N2 O2 S -","- Ag4 N2 O2 S -","- Ag16 N8 O8 S4 -","4","1","","Kratky, C.; Popitsch, A.","Structure of Tetrasilver(I) Sulfamide","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1044","1048","10.1107/S0567740880005250","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105407","11.38","","6.382","","11.304","","90","","90","","90","","820.977","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ca B2 O4","","- B2 Ca O4 -","- B2 Ca O4 -","- B24 Ca12 O48 -","12","3","","Remeika, J.P.; Marezio, M.; Dernier, P.D.","The Crystal Structure of the High Pressure Phase Ca B2 O4 (III)","Acta Crystallographica B (24,1968-38,1982)","1969","25","","955","964","10.1107/S0567740869003244","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105461","12.82","0.03","26.29","0.06","3.802","0.009","90","","90","","90","","1281","5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-oxo-N-(3-methoxyphenyl)-4H-chromene-2-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","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","","","0.6889","synchrotron","","0.1682","0.103","","","0.2574","0.3337","","","","","","0.997","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105603","27.458","0.004","7.18","0.002","14.21","0.002","90","","90","","90","","2801.5","1","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","2","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","","","0.04","","","","0.044","","","","","","1.42","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105611","12.584","0.003","9.699","0.002","3.674","0.002","90","","90","","90","","448.4","0.3","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","4-cyano-imidazolium-5-olate","","- C4 H3 N3 O -","- C5 H3 N2 O -","- C20 H12 N8 O4 -","4","1","NA0081","Bianchi, R.; Gervasio, G.; Viscardi, G.","Experimental Electron-Density Study of 4-Cyanoimidazolium-5-olate at 120 K","Acta Crystallographica Section B","1998","54","1","66","72","10.1107/S0108768197009269","","","0.71073","MoKα","","","0.0663","","","0.0733","","","","","3.432","3.432","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105612","12.584","0.003","9.699","0.002","3.674","0.002","90","","90","","90","","448.4","0.3","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H3 N3 O -","- C4 H3 N3 O -","- C16 H12 N12 O4 -","4","1","NA0081","Bianchi, R.; Gervasio, G.; Viscardi, G.","Experimental Electron-Density Study of 4-Cyanoimidazolium-5-olate at 120 K","Acta Crystallographica Section B","1998","54","1","66","72","10.1107/S0108768197009269","","","0.71073","MoKα","","","0.0376","","","0.038","","","","","1.851","1.851","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105613","12.584","0.003","9.699","0.002","3.674","0.002","90","","90","","90","","448.4","0.3","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H3 N3 O -","- C4 H3 N3 O -","- C16 H12 N12 O4 -","4","1","NA0081","Bianchi, R.; Gervasio, G.; Viscardi, G.","Experimental Electron-Density Study of 4-Cyanoimidazolium-5-olate at 120 K","Acta Crystallographica Section B","1998","54","1","66","72","10.1107/S0108768197009269","","","0.71073","MoKα","","","0.0357","","","0.0358","","","","","1.763","1.763","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105631","20.0837","0.0019","5.6969","0.0007","15.106","0.002","90","","90","","90","","1728.4","0.4","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","Naph-TEMPO","4-(2-naphthylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C20 H25 N2 O -","- C20 H25 N2 O -","- C80 H100 N8 O4 -","4","1","OA0021","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds","Acta Crystallographica Section B","1999","55","6","1057","1067","10.1107/S0108768199007326","","","0.71073","MoKα","","0.0772","0.0433","","","","0.1101","","","","","","1.072","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105643","13.218","0.001","6.65","0.0009","10.761","0.001","90","0.003","90","0.003","90","0.003","945.89","0.17","9.6","0.3","9.6","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- As O5 Rb Ti -","- As O5 Rb Ti -","- As8 O40 Rb8 Ti8 -","8","2","OS0025","Almgren, Jenni; Streltsov, Victor A.; Sobolev, Alexander N.; Figgis, Brian N.; Albertsson, Jörgen","Structure of and electron density in RbTiOAsO~4~ at 9.6K","Acta Crystallographica Section B","1999","55","5","712","720","10.1107/S010876819900395X","","","0.71069","MoKα","","0.034","0.032","","0.026","0.026","","","","4.596","","","4.56","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105644","13.261","0.002","6.6791","0.0008","10.769","0.001","90","0.01","90","0.01","90","0.01","953.8","0.2","295","2","295","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- As O5 Rb Ti -","- As O5 Rb Ti -","- As8 O40 Rb8 Ti8 -","8","2","OS0025","Almgren, Jenni; Streltsov, Victor A.; Sobolev, Alexander N.; Figgis, Brian N.; Albertsson, Jörgen","Structure of and electron density in RbTiOAsO~4~ at 9.6K","Acta Crystallographica Section B","1999","55","5","712","720","10.1107/S010876819900395X","","","0.71069","MoKα","","0.064","0.055","","0.043","0.042","","","","4.763","","","4.845","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105781","14.53798","0.00014","11.0793","0.00008","10.02456","0.00007","90","","90","","90","","1614.66","0.02","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","caffeine:anthranilic acid co-crystal","","","- C15 H17 N5 O4 -","- C15 H17 N5 O4 -","- C60 H68 N20 O16 -","4","1","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","powder diffraction","","1.03379","Synchrotron","","","","","","","","","0.002","1.296","","","","","","","has coordinates,has Fobs","209314","2020-10-21","18:00:00",""
"2106214","7.659","","14.613","","6.875","","90","","90","","90","","769.457","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cu3 Mo2 O9 -","- Cu3 Mo2 O9 -","- Cu12 Mo8 O36 -","4","1","","Kihlborg, L.; Norrestam, R.; Olivecrona, B.","The crystal structure of Cu3 Mo2 O9","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2066","2070","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106234","9.811","","8.88","","5.139","","90","","90","","90","","447.718","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li (N2 H5) Be F4","","- Be F4 H5 Li N2 -","- Be F4 H5 Li N2 -","- Be4 F16 H20 Li4 N8 -","4","1","","Anderson, M.R.; Brown, I.D.; Vilminot, S.","Crystal data for Li (N2 H5) Be F4 and Li (N2 H5) S O4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2625","2628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106283","7.81","","13.71","","8.8","","90","","90","","90","","942.261","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","K (B O2) (H2 O)1.333","","- B H2.666 K O3.333 -","- B K O3.33333 -","- B12 K12 O40 -","12","3","","Clark, J.R.; Christ, C.L.","Unusual hydrogen bonding in some hydrated borate structures","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3272","3273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106387","11.8216","","8.944","","10.708","","90","","90","","90","","1132.18","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","K (Ga2 Cl7)","","- Cl7 Ga2 K -","- Cl7 Ga2 K -","- Cl28 Ga8 K4 -","4","1","","Mascherpa-Corral, D.; Vitse, P.; Potier, A.; Darriet, J.","Structure cristalline d un chlorocomplexe de gallium: K Ga2 Cl7","Acta Crystallographica B (24,1968-38,1982)","1976","32","","247","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106654","9.811","","8.8","","5.139","","90","","90","","90","","443.685","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li N2 H5 Be F4","","- Be F4 H5 Li N2 -","- Be F4 H5 Li N2 -","- Be4 F16 H20 Li4 N8 -","4","1","","Anderson, M.R.; Brown, I.D.","A neutron diffraction refinement of lithium hydrazinium fluoroberyllate","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1500","1501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106724","12.56","","9.501","","11.423","","90","","90","","90","","1363.14","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","N H4 Al2 Br7","","- Al2 Br7 H4 N -","- Al2 Br7 H4 N -","- Al8 Br28 H16 N4 -","4","1","","Rytter, E.; Rytter, B. E. D.; Oye, H. A.","The crystal structure of ammonium heptabromodialuminate N H4 Al2 Br7","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2177","2181","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106909","18.835","","9.629","","9.774","","90","","90","","90","","1772.63","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sb4 O3 (S O4)4 (H3 O)2 (H2 O)","","- H8 O22 S4 Sb4 -","- O22 S4 Sb4 -","- O88 S16 Sb16 -","4","1","","Douglade, J.; Mercier, R.","Structure du Tetrasulfate d'Hydroxodioxotetraantimoine(III) et de Dioxonium Monohydrate Sb4 O2 (O H) (S O4)4 (H5 O2) (H2 O) (ou Sb2 O3 (S O3)2 (H2 O)2 )","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2919","2925","","","","","","","","","","","","","","","","","","","","","","has coordinates","163346","2020-10-21","18:00:00",""
"2106966","9.9","","5.408","","5.171","","90","","90","","90","","276.851","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Cd P2 -","- Cd P2 -","- Cd4 P8 -","4","1","","Goodyear, J.; Steigmann, G.A.","The crystal structure of alpha-Cd P2","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2371","2374","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107303","8.103","","4.093","","16.221","","90","","90","","90","","537.979","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Ce S2 -","- Ce S2 -","- Ce8 S16 -","8","2","","Yanagisawa, Y.; Kume, S.; Kanamaru, F.","Structure of orthorhombic Ce S2 prepared at 1773 K and 5.5 GPa","Acta Crystallographica B (24,1968-38,1982)","1979","35","","137","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107304","26.838","","12.406","","7.262","","90","","90","","90","","2417.9","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","K2 (Co Cl4)","","- Cl4 Co K2 -","- Cl4 Co K2 -","- Cl48 Co12 K24 -","12","3","","Vermin, W.J.; Verschoor, G.C.; Ijdo, D.J.W.","Two modifications of cobalt dipotassium tetrachloride","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3325","3328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107439","11.364","","8.0965","","4.9053","","90","","90","","90","","451.33","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Mn2 (P O4) Cl","","- Cl Mn2 O4 P -","- Cl Mn2 O4 P -","- Cl4 Mn8 O16 P4 -","4","1","","Rea, J.R.; Kostiner, E.","The crystal structure of manganese chlorophosphate, Mn2 (P O4) Cl","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2505","2509","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108038","8.27","0.01","16.94","0.02","4.89","0.01","90","","90","","90","","685.1","1.8","","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Merlino, Stefano; Sartori, Franco","The structures of m-cyanoaniline and p-cyanoaniline","Acta Crystallographica Section B","1982","38","","1476","1480","10.1107/S0567740882006177","","x-ray","1.54184","CuKα","","","0.065","","","","","","","","","","","","","","has coordinates","194385","2020-10-21","18:00:00",""
"2108094","17.891","0.005","4.586","0.003","10.941","0.004","90","","90","","90","","897.7","0.7","304","0.13","304","0.13","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H7 N3 O6 S -","- C5 H7 N3 O6 S -","- C20 H28 N12 O24 S4 -","4","1","WF5131","Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek","Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate","Acta Crystallographica Section B","2017","73","3","337","346","10.1107/S2052520617001524","","","0.71073","MoKα","","0.0546","0.0376","","","0.0787","0.0877","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","199052","2020-10-21","18:00:00",""
"2108476","24.316","0.006","3.9011","0.001","25.297","0.007","90","","90","","90","","2399.7","1.1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H10 N2 -","- C16 H10 N2 -","- C128 H80 N16 -","8","2","","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","","0.1194","0.0769","","","0.1726","0.1961","","","","","","1.073","","","","has coordinates","218153","2020-10-21","18:00:00",""
"2108519","12.8927","0.0002","4.97471","0.0001","31.5518","0.0007","90","","90","","90","","2023.65","0.07","295","1","295","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H10 N2 O6 S -","- C7 H10 N2 O6 S -","- C56 H80 N16 O48 S8 -","8","2","","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012472","","x-ray","0.71073","MoKα","","0.0535","0.0443","","","0.1138","0.1204","","","","","","1.059","","","","has coordinates,has Fobs","225414","2020-10-21","18:00:00",""
"2109056","7.6668","0.0005","16.8546","0.0011","22.3786","0.0015","90","","90","","90","","2891.8","0.3","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H30 F4 I2 N2 S -","- C29 H30 F4 I2 N2 S -","- C116 H120 F16 I8 N8 S4 -","4","1","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","","0.0288","0.0253","","","0.0554","0.0583","","","","","","1.104","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109066","7.8472","0.0005","16.1751","0.0013","21.7956","0.0019","90","","90","","90","","2766.5","0.4","100.01","","100.01","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H30 F5 I N2 S -","- C29 H30 F5 I N2 S -","- C116 H120 F20 I4 N8 S4 -","4","1","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","","0.0369","0.0281","","","0.0565","0.0628","","","","","","1.117","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:29",""
"2200144","10.473","0.002","24.303","0.005","3.8594","0.0008","90","","90","","90","","982.3","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(3-Chloro-4-methylphenyl)pyrroline-2,5-dione","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C44 H32 Cl4 N4 O8 -","4","1","CI6006","Lynch, Daniel E.; McClenaghan, Ian","1-(3-Chloro-4-methylphenyl)-3-pyrroline-2,5-dione","Acta Crystallographica Section E","2001","57","2","o147","o148","10.1107/S1600536801001404","","","0.71073","MoKα","","0.078","0.052","","","","0.131","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200182","19.0427","0.0002","9.6024","0.0004","16.6135","0.0007","90","","90","","90","","3037.87","0.18","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","5,5-Dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)amino]cyclohex-2-en-1-one","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C136 H152 N24 O8 -","8","2","NA6045","Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","5,5-Dimethyl-3-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]cyclohex-2-en-1-one","Acta Crystallographica Section E","2001","57","2","o185","o186","10.1107/S1600536801001702","","","0.71073","MoKα","","0.0736","0.0516","","","","0.1228","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200265","14.125","0.003","14.118","0.003","10.719","0.002","90","","90","","90","","2137.5","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine- 1,8-dione","","- C23 H26 Cl N O2 -","- C23 H26 Cl N O2 -","- C92 H104 Cl4 N4 O8 -","4","1","BT6029","Tu, Shu-Jiang; Deng, Xu; Du, Miao; Fang, Ya-Yin; Guo, Ya-Mei; Liu, Xiao-Hong","9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2001","57","5","o383","o385","10.1107/S1600536801005189","","","0.71073","MoKα","","0.092","0.0507","","","","0.2076","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200291","11.0853","0.0009","8.1425","0.0007","8.453","0.0008","90","","90","","90","","762.99","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H9 N O3 S -","- C6 H9 N O3 S -","- C24 H36 N4 O12 S4 -","4","1","CI6022","Bolte, Michael; Griesinger, Christian; Sakhaii, Peyman","Pyridinium methylsulfonate: a pseudosymmetric structure","Acta Crystallographica Section E","2001","57","5","o458","o460","10.1107/S1600536801006894","","","0.71073","MoKα","","0.04","0.037","","","","0.098","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200351","21.9206","0.0006","7.3583","0.0002","5.0596","0.0002","90","","90","","90","","816.11","0.05","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2'-amino-5'-bromoacetophenone","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","1","TK6021","Baker, L-J.; Copp, Brent R.; Rickard, Clifton E. F.","2'-Amino-5'-bromoacetophenone","Acta Crystallographica Section E","2001","57","6","o540","o541","10.1107/S160053680100839X","","","0.71073","MoKα","","0.025","0.024","","","","0.061","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200372","15.4413","0.0003","10.9988","0.0003","9.5699","0.0002","90","","90","","90","","1625.31","0.06","291","1","291","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","YA6027","Kolev, Tsonko; Glavcheva, Zornitza; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","2-{3-[2-(4-Hydroxyphenyl)vinyl]-5,5-dimethylcyclohex-2-en-1-ylidene}malononitrile","Acta Crystallographica Section E","2001","57","6","o561","o562","10.1107/S1600536801008480","","","0.71073","MoKα","","0.077","0.039","","","","0.095","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200514","21.134","0.002","6.2537","0.0011","7.979","0.002","90","","90","","90","","1054.6","0.3","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","","α-bromoisopropyl phenyl sulfone","","- C9 H11 Br O2 S -","- C9 H11 Br O2 S -","- C36 H44 Br4 O8 S4 -","4","1","OM6024","Robinson, Paul D.; Parady, Thomas E.; Hou, Yuqing; Meyers, Cal Y.","2-Bromo-2-propyl phenyl sulfone","Acta Crystallographica Section E","2001","57","7","o584","o586","10.1107/S1600536801007516","","","0.71069","MoKα","","0.073","0.034","","","","0.094","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200518","18.358","0.001","6.621","0.002","8.356","0.003","90","","90","","90","","1015.7","0.5","144","1","144","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 Cl O2 -","- C12 H9 Cl O2 -","- C48 H36 Cl4 O8 -","4","1","OM6031","Lehmler, Hans-Joachim; Robertson, Larry W.; Parkin, Sean","4-Chloro-3',4'-dihydroxybiphenyl","Acta Crystallographica Section E","2001","57","7","o590","o591","10.1107/S1600536801008844","","","0.71073","MoKα","","0.0464","0.0356","","","","0.0746","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200552","8.0762","0.0011","9.9366","0.0013","14.1558","0.0019","90","","90","","90","","1136","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(2,2'-bipyridine)copper(II)-μ~4~-oxalato]","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C48 H32 Cu4 N8 O16 -","4","1","WN6031","Luo, Junhua; Hong, Maochun; Liang, Yucang; Cao, Rong","Poly[(2,2'-bipyridine)copper(II)-μ~4~-oxalato]","Acta Crystallographica Section E","2001","57","8","m361","m362","10.1107/S1600536801011874","","","0.71073","MoKα","","0.0932","0.0511","","","","0.1085","","","","","","1.05","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2200598","9.3516","0.0009","9.7925","0.001","5.7651","0.0003","90","","90","","90","","527.94","0.08","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","3-picoline","3-methylpyridine","","- C6 H7 N -","- C6 H7 N -","- C24 H28 N4 -","4","1","BT6087","Bond, Andrew D.; Davies, John E.","3-Picoline","Acta Crystallographica Section E","2001","57","11","o1087","o1088","10.1107/S1600536801017536","","","0.7107","MoKα","","0.0415","0.0398","","","","0.1059","","","","","","1.082","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200693","10.973","0.002","12.764","0.003","20.721","0.004","90","","90","","90","","2902.2","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2S)-1-(4-fluorophenyl)-2-hydroxy-2-[(2S,5R)-5-(1-hydroxy-1-methylethyl)- tetrahydrofuran-2-yl]ethanone","","- C15 H19 F O4 -","- C15 H19 F O4 -","- C120 H152 F8 O32 -","8","2","NA6099","Light, Mark E.; Hursthouse, Michael B.","(2<i>S</i>)-1-(4-Fluorophenyl)-2-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-5-(1-hydroxy-1-methylethyl)-tetrahydrofuran-2-yl]ethanone","Acta Crystallographica Section E","2001","57","12","o1196","o1197","10.1107/S1600536801017019","","","0.71073","MoKα","","0.1187","0.0487","","","","0.1128","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200733","14.609","0.002","8.4266","0.0012","6.9097","0.0008","90","","90","","90","","850.61","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H6 N4 O7 -","- C5 H6 N4 O7 -","- C20 H24 N16 O28 -","4","1","OM6044","Gilardi, Richard D.; Butcher, Ray J.","2,5-Dinitro-7,9-dioxa-2,5-diazabicyclo[4.3.0]nonan-8-one","Acta Crystallographica Section E","2001","57","10","o913","o915","10.1107/S1600536801014131","","","0.71073","MoKα","","0.0672","0.0455","","","","0.1111","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200781","20.626","0.004","10.099","0.002","17.183","0.003","90","","90","","90","","3579.3","1.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H56 B9 N -","- C32 H56 B9 N -","- C128 H224 B36 N4 -","4","1","WN6061","Rosair, Georgina M.; Schmidt, Falk H.; Welch, Alan J.","Tetra-<i>n</i>-butylammonium 7-phenylethynyl-8-phenyl-7,8-<i>nido</i>-dicarbadecahydroundecaborate(1{-})","Acta Crystallographica Section E","2001","57","12","o1171","o1172","10.1107/S1600536801018888","","","0.71073","MoKα","","0.2212","0.1015","","","","0.3023","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200880","22.2686","0.0003","9.2463","0.0002","9.1349","0.0002","90","","90","","90","","1880.9","0.06","183","2","183","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1-(3,4,6-tricyanophenyl)-4-phenyl-1,2,3,4-tetrahydronaphthalene","","- C25 H17 N3 -","- C25 H17 N3 -","- C100 H68 N12 -","4","1","CI6094","Yan Zhang; Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Jian-Hua Xu","4-Phenyl-1-(2,4,5-tricyanophenyl)-1,2,3,4-tetrahydronaphthalene","Acta Crystallographica Section E","2002","58","2","o132","o133","10.1107/S1600536802000399","","","0.71073","MoKα","","0.059","0.047","","","0.1","0.104","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201037","6.9391","0.001","12.945","0.002","7.9714","0.001","90","","90","","90","","716.04","0.18","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Dichloro(β-alanine)cadmium(II)","Dichloro(β-alanine)cadmium(II)","","- C3 H7 Cd Cl2 N O2 -","- C3 H7 Cd Cl2 N O2 -","- C12 H28 Cd4 Cl8 N4 O8 -","4","1","BT6137","Subha Nandhini, M.; Krishnakumar, R. V.; Sivakumar, K.; Natarajan, S.","<i>catena</i>-Poly[[cadmium(II)]-μ-β-alanine-di-μ-chloro]","Acta Crystallographica Section E","2002","58","6","m307","m309","10.1107/S160053680200805X","","","0.71073","MoKα","","0.033","0.032","","","0.08","0.081","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201228","13.546","0.002","7.6006","0.0012","11.698","0.0019","90","","90","","90","","1204.4","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H17 N5 -","- C11 H17 N5 -","- C44 H68 N20 -","4","1","AC6008","Ilia A. Guzei; Galina A. Bikzhanova","Diethylammonium 5-phenyltetrazolate","Acta Crystallographica Section E","2002","58","8","o937","o939","10.1107/S1600536802013351","","","0.71073","MoKα","","0.0515","0.049","","","0.1061","0.107","","","","","","1.369","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201320","7.4707","0.0003","16.3734","0.0007","7.2188","0.0003","90","","90","","90","","883.01","0.06","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-selenocyanatobenzoate","","- C9 H7 N O2 Se -","- C9 H7 N O2 Se -","- C36 H28 N4 O8 Se4 -","4","1","BT6209","Jones, Peter G.; Wismach, Cathleen; Mugesh, Govindasamy; du Mont, Wolf-Walther","Methyl 2-selenocyanatobenzoate","Acta Crystallographica Section E","2002","58","11","o1298","o1300","10.1107/S1600536802019323","","","0.71073","MoKα","","0.019","0.0177","","","0.0444","0.0448","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201395","7.046","0.002","19.566","0.006","8.743","0.002","90","","90","0.02","90","","1205.3","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Satranidazole","3-(1-Methyl-5-nitroimidazol-2-yl)-1-methylsulfonyl-imidazolidin-2-one","","- C8 H11 N5 O5 S -","- C8 H11 N5 O5 S -","- C32 H44 N20 O20 S4 -","4","1","CI6157","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Kuppuswamy Nagarajan","3-(1-Methyl-5-nitroimidazol-2-yl)-1-(methylsulfonyl)imidazolidin-2-one","Acta Crystallographica Section E","2002","58","10","o1136","o1138","10.1107/S1600536802016902","","","1.5418","CuKα","","0.0696","0.0599","","","0.1603","0.1764","","","","","","1.112","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201571","12.4224","0.0004","17.1489","0.0005","5.668","0.0001","90","","90","","90","","1207.46","0.06","163","2","163","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H13 Br N4 O2 -","- C11 H13 Br N4 O2 -","- C44 H52 Br4 N16 O8 -","4","1","OB6166","Gainsford, Graeme J.; Evans, Gary B.","3-Bromo-7-methoxy-2-(tetrahydropyran-2-yl)pyrazolo[4,3-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2002","58","9","o1021","o1022","10.1107/S1600536802014988","","","0.71073","MoKα","","0.072","0.059","","","0.1398","0.147","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201742","23.998","0.007","4.2785","0.0013","8.944","0.003","90","","90","","90","","918.3","0.5","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C32 H52 N4 O12 -","4","1","AC6031","Chen, Xuanhua; Chen, Tao","Methyl (<i>E</i>)-2-acetyl-3-amino-2-pentenoate","Acta Crystallographica Section E","2003","59","4","o553","o554","10.1107/S1600536803005609","","","0.71073","MoKα","","0.1286","0.0484","","","0.0755","0.0875","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201808","9.3133","0.0003","15.4441","0.0004","9.8424","0.0003","90","","90","","90","","1415.69","0.07","120","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","BT6248","Coles, Simon J.; Hursthouse, Michael B.","Ethyl (2<i>S</i>*)-2-[(2<i>R</i>*,2'<i>R</i>*,5<i>S</i>*)-2',5-dimethyl-5'-oxoperhydro-[2,2']]bifuranyl-5-yl]-2-hydroxyethanoate","Acta Crystallographica Section E","2003","59","4","o501","o502","10.1107/S1600536803005762","","","0.71073","MoKα","","0.0363","0.0298","","","0.0717","0.0748","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201967","9.2941","0.0001","9.7513","0.0002","17.851","0.0003","90","","90","","90","","1617.83","0.05","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H14 Cl2 N2 S -","- C17 H14 Cl2 N2 S -","- C68 H56 Cl8 N8 S4 -","4","1","DN6065","El Hazazi, S.; Baouid, S.; Hasnaoui, A.; Pierrot, M.","1,1-Dichloro-3-méthylthio-1a-phényl-1,1a,2,9-tétrahydroaziridino[2,1-<i>d</i>][1,5]benzodiazépine","Acta Crystallographica Section E","2003","59","5","o713","o715","10.1107/S1600536803008882","","","0.71073","MoKα","","0.0235","0.0228","","","0.0572","0.0581","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201976","11.1981","0.0014","8.4864","0.0015","23.853","0.003","90","","90","","90","","2266.8","0.6","142","2","142","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-cyclopentyl-2-hydroxy-2-phenylacetic acid","","- C13 H16 O3 -","- C13 H16 O3 -","- C104 H128 O24 -","8","2","FL6011","Bats, Jan W.; Walter, Martin; Noe, Christian R.","2-Cyclopentyl-2-hydroxy-2-phenylacetic acid, a pseudosymmetric crystal structure with space group <i>Pna</i>2~1~ and <i>Z</i>' = 2","Acta Crystallographica Section E","2003","59","1","o72","o74","10.1107/S1600536802022961","","","0.71073","MoKα","","0.0396","0.0356","","","0.0956","0.0986","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202001","8.9673","0.0018","10.528","0.002","19.971","0.004","90","","90","","90","","1885.4","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N,N'-Bis(4-biphenylyl)urea","N,N'-Bis(4-biphenylyl)urea","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","1","FL6037","Sumod George; Ashwini Nangia","<i>N,N</i>'-Bis(4-biphenylyl)urea","Acta Crystallographica Section E","2003","59","6","o901","o902","10.1107/S1600536803010948","","","0.71073","MoKα","","0.1038","0.0432","","","0.0896","0.1334","","","","","","0.84","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202048","8.5471","0.0007","27.547","0.002","9.0485","0.0008","90","","90","","90","","2130.4","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Diacetatobis(2-aminobenzothiazolato)zinc(II)","","- C18 H18 N4 O4 S2 Zn -","- C18 H18 N4 O4 S2 Zn -","- C72 H72 N16 O16 S8 Zn4 -","4","1","NA6189","Anwar Usman; Hoong-Kun Fun; Suchada Chantrapromma; Ming Zhang; Zhen-Feng Chen; Yuan-Zhi Tang; Shao-Ming Shi; Hong Liang","Diacetatobis(2-aminobenzothiazole)zinc(II)","Acta Crystallographica Section E","2003","59","1","m41","m43","10.1107/S1600536802021864","","","0.71073","MoKα","","0.0295","0.0239","","","0.0577","0.0603","","","","","","1.062","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2202104","21.7363","0.001","12.9552","0.0006","3.9938","0.0005","90","","90","","90","","1124.65","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","4,5-ethylenedioxy[1,2,5]thiadiazolotetrathiafulvalene","5-(4,5-ethylenedioxy-1,3-dithiol-2-ylidene)-1,3,2,4,6-diazatrithiapentalene","","- C8 H4 N2 O2 S5 -","- C8 H4 N2 O2 S5 -","- C32 H16 N8 O8 S20 -","4","1","OB6206","Tomura, Masaaki; Yamashita, Yoshiro","An unsymmetrical tetrathiafulvalene with a fused 1,2,5-thiadiazole ring and an ethylenedioxy group","Acta Crystallographica Section E","2003","59","2","o145","o147","10.1107/S1600536802023723","","","1.54178","CuKα","","0.1509","0.0631","","","0.1416","0.1735","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202182","14.6419","0.0003","7.6642","0.0002","12.066","0.0002","90","","90","","90","","1354.03","0.05","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrachloro(N,N,N',N'-tetramethylethylenediamine)zirconium(IV)","","- C6 H16 Cl4 N2 Zr -","- C6 H16 Cl4 N2 Zr -","- C24 H64 Cl16 N8 Zr4 -","4","1","TK6095","Rickard, Clifton E. F.; Glenny, Mark W.; Nielson, Alastair J.","Tetrachloro(<i>N,N,N</i>',<i>N</i>'-tetramethylethylenediamine)zirconium(IV)","Acta Crystallographica Section E","2003","59","4","m183","m184","10.1107/S1600536803004458","","","0.71073","MoKα","","0.0195","0.0179","","","0.0443","0.0449","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202197","7.8096","0.0002","5.6168","0.0002","37.212","0.001","90","","90","","90","","1632.3","0.08","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(4-Methacryloyloxyphenyl)-3-(3-bromophenyl)prop-2-en-1-one","","- C19 H15 Br O3 -","- C19 H15 Br O3 -","- C76 H60 Br4 O12 -","4","1","WN6130","T. Ravishankar; K. Chinnakali; S. Nanjundan; S. Radhakrishnan; Anwar Usman; Hoong-Kun Fun","1-(4-Methacryloyloxyphenyl)-3-(3-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2003","59","2","o138","o140","10.1107/S1600536803000126","","","0.71073","MoKα","","0.136","0.069","","","0.142","0.169","","","","","","0.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202280","16.103","0.003","10.8827","0.0019","27.396","0.005","90","","90","","90","","4801","1.5","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","2,4,6-Trimethyl-1,3,5-tris(phenoxymethyl)benzene","2,4,6-Trimethyl-1,3,5-tris(phenoxymethyl)benzene","","- C30 H30 O3 -","- C30 H30 O3 -","- C240 H240 O24 -","8","2","AC6061","David J. Bray; Leonard F. Lindoy; John C. McMurtrie","2,4,6-Trimethyl-1,3,5-tris(phenoxymethyl)benzene","Acta Crystallographica Section E","2003","59","10","o1544","o1545","10.1107/S1600536803020610","","","0.71073","MoKα","","0.0398","0.0345","","","0.0899","0.0935","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202340","7.8623","0.0007","14.2934","0.0013","11.3321","0.001","90","","90","","90","","1273.5","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","N'-(4-Chlorobenzoyl)-N-(pyrrolidin-1-yl)thiourea","","- C12 H13 Cl N2 O S -","- C12 H13 Cl N2 O S -","- C48 H52 Cl4 N8 O4 S4 -","4","1","BT6310","Kayhan, Esra; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan","<i>N</i>'-(4-Chlorobenzoyl)-<i>N</i>-(pyrrolidin-1-yl)thiourea","Acta Crystallographica Section E","2003","59","8","o1237","o1238","10.1107/S1600536803016027","","","0.71073","MoKα","","0.0345","0.0331","","","0.0802","0.0809","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202341","25.311","0.005","9.801","0.002","9.472","0.0019","90","","90","","90","","2349.7","0.8","140","1","140","1","","","","","","","","6","P n a 21","P 2c -2n","33","","μ~2~-Oxo-bis[trichlorobis(dimethylsulfane)titanium(IV)]","","- C8 H24 Cl6 O S4 Ti2 -","- C8 H24 Cl6 O S4 Ti2 -","- C32 H96 Cl24 O4 S16 Ti8 -","4","1","BT6311","Mark Schormann","μ-Oxo-bis[trichlorobis(dimethylsulfane)titanium(IV)]","Acta Crystallographica Section E","2003","59","8","m674","m675","10.1107/S1600536803016258","","","0.71073","MoKα","","0.0301","0.0292","","","0.0762","0.0767","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202346","7.5508","0.0007","12.616","0.001","10.1223","0.0009","90","","90","","90","","964.26","0.15","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","7-Methoxy-4,6-dimethyl-3H-isobenzofuran-1-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","BT6316","Wang, Jian-Feng; Lin, Xin; Huang, Yao-Jian; Su, Wen-Jin; Zhao, Yu-Fen; Ng, Seik Weng","7-Methoxy-4,6-dimethyl-3<i>H</i>-isobenzofuran-1-one","Acta Crystallographica Section E","2003","59","8","o1235","o1236","10.1107/S1600536803016507","","","0.71073","MoKα","","0.065","0.06","","","0.151","0.156","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202347","24.172","0.003","13.365","0.001","8.463","0.001","90","","90","","90","","2734","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","μ-Nitrato-nitratobis[tris(2-aminoethyl)amine]dicadmium(II) dinitrate","","- C12 H36 Cd2 N12 O12 -","- C12 H36 Cd2 N12 O12 -","- C48 H144 Cd8 N48 O48 -","4","1","BT6317","Cai, Jiwen; Ng, Seik Weng","μ-Nitrato-nitratobis[tris(2-aminoethyl)amine]dicadmium(II) dinitrate","Acta Crystallographica Section E","2003","59","8","m692","m694","10.1107/S1600536803016519","","","0.71073","MoKα","","0.072","0.036","","","0.073","0.085","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202497","19.9671","0.0008","12.7083","0.0005","5.1306","0.0002","90","","90","","90","","1301.88","0.09","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","o-Nitrophenyl m-nitrobenzenesulfonate","2-Nitrophenyl 3-nitrobenzenesulfonate","","- C12 H8 N2 O7 S -","- C12 H8 N2 O7 S -","- C48 H32 N8 O28 S4 -","4","1","CI6265","Nagarajan Vembu; Maruthai Nallu; Elinor C. Spencer; Judith A. K. Howard","2-Nitrophenyl 3-nitrobenzenesulfonate","Acta Crystallographica Section E","2003","59","9","o1390","o1392","10.1107/S1600536803018191","","","0.71073","MoKα","","0.0458","0.0338","","","0.0667","0.0699","","","","","","0.962","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202535","14.1639","0.0014","11.263","0.0011","8.6098","0.0008","90","","90","","90","","1373.5","0.2","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(2-Allylphenoxy)phthalonitrile","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","CM6045","Köysal, Yavuz; Şamil Işık; Akdemir, Nasuhi; Erbil Ag̃ar; Vickee Mckee","4-(2-Allylphenoxy)phthalonitrile","Acta Crystallographica Section E","2003","59","8","o1183","o1184","10.1107/S1600536803015769","","","0.71073","MoKα","","0.0698","0.0578","","","0.1653","0.1782","","","","","","1.082","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202556","8.9941","0.0002","19.8913","0.0004","10.3244","0.0002","90","","90","","90","","1847.08","0.07","160","2","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Furoyl-2,3,4,5,6,7-hexahydro-r-2,c-7-diphenyl-1H-1,4-diazepin-5-one","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","CV6204","S. Thamotharan; V. Parthasarathi; M. Muthukumar; K. Thanikasalam; R. Jeyaraman; Linden, Anthony","4-Furoyl-2,3,4,5,6,7-hexahydro-<i>r</i>-2,<i>c</i>-7-diphenyl-1<i>H</i>-1,4-diazepin-5-one: supramolecular aggregation through C—H···O interactions","Acta Crystallographica Section E","2003","59","8","o1117","o1119","10.1107/S1600536803014661","","","0.71073","MoKα","","0.0437","0.0365","","","0.0907","0.096","","","","","","1.055","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2202567","9.9294","0.0016","7.291","0.0012","9.1653","0.0015","90","","90","","90","","663.52","0.19","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(1α,6α,7α,7aβ)-2,3,5,6,7,7a-Hexahydro-1,6-epoxy-1H-pyrrolizin-7-ol","","- C7 H11 N O2 -","- C7 H11 N O2 -","- C28 H44 N4 O8 -","4","1","CV6216","Richard S. Glass; Donald R.Deardorff; Nhu Y. T. Stessman; Carducci, Michael D.","(1α,6α,7α,7aβ)-2,3,5,6,7,7a-Hexahydro-1,6-epoxy-1<i>H</i>-pyrrolizin-7-ol","Acta Crystallographica Section E","2003","59","9","o1270","o1271","10.1107/S1600536803016970","","","0.71073","MoKα","","0.0385","0.032","","","0.0767","0.0809","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202674","20.966","0.007","5.8928","0.0018","11.871","0.004","90","","90","","90","","1466.6","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Ethylenediammonium disodium (1-hydroxyethylidene)diphosphonate tetrahydrate","","- C4 H22 N2 Na2 O11 P2 -","- C4 H22 N2 Na2 O11 P2 -","- C16 H88 N8 Na8 O44 P8 -","4","1","LH6070","Zongbin, Wu; Zhongmin, Liu; Peng, Tian; Lei, Xu; Yanli, He; Shiyun, Sang; Yue, Yang; Xiumei, Liu; Xianchun, Liu; Xinhe, Bao","Ethylenediammonium disodium (1-hydroxyethylidene)diphosphonate tetrahydrate, [NH~3~(CH~2~)~2~NH~3~]Na~2~(hedp)·4H~2~O","Acta Crystallographica Section E","2003","59","7","m521","m523","10.1107/S1600536803013278","","","0.71073","MoKα","","0.0302","0.0258","","","0.0614","0.0638","","","","","","1.061","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2202773","5.8937","0.0006","27.647","0.003","7.9171","0.0008","90","","90","","90","","1290","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","4-chlorophenyl p-toluenesulfonate","4-chlorophenyl 4-toluenesulfonate","","- C13 H11 Cl O3 S -","- C13 H11 Cl O3 S -","- C52 H44 Cl4 O12 S4 -","4","1","OB6250","Nagarajan Vembu; Maruthai Nallu; Jered Garrison; Wiley J. Youngs","4-Chlorophenyl 4-toluenesulfonate: supramolecular aggregation through C—H···O, C‒H···Cl and C—H···π interactions","Acta Crystallographica Section E","2003","59","7","o936","o938","10.1107/S1600536803012066","","","0.71073","MoKα","","0.0413","0.0394","","","0.0936","0.0944","","","","","","1.117","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202795","17.458","0.004","12.287","0.003","5.4891","0.0014","90","","90","","90","","1177.4","0.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","Phenyl m-nitrobenzenesulfonate","Phenyl 3-nitrobenzenesulfonate","","- C12 H9 N O5 S -","- C12 H9 N O5 S -","- C48 H36 N4 O20 S4 -","4","1","OB6276","Nagarajan Vembu; Maruthai Nallu; Elinor C. Spencer; Judith A. K. Howard","Phenyl 3-nitrobenzenesulfonate","Acta Crystallographica Section E","2003","59","8","o1213","o1215","10.1107/S1600536803015964","","","0.71073","MoKα","","0.0647","0.0432","","","0.0563","0.0598","","","","","","0.913","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203077","13.827","0.006","29.9","0.014","4.244","0.002","90","","90","","90","","1754.6","1.4","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","LH6146","Dachriyanus; Rizal Fahmi; Sargent, Melvyn V.; Skelton, Brian W.; White, Allan H.","5-Hydroxy-3,3',4',5',7-pentamethoxyflavone (combretol)","Acta Crystallographica Section E","2004","60","1","o86","o88","10.1107/S1600536803027880","","","0.71073","MoKα","","0.106","0.053","","0.072","","0.059","","","1.062","","","1.136","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203196","16.391","0.002","8.54","0.001","10.4825","0.001","90","","90","","90","","1467.3","0.3","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","mer-trichlorotris(dimethyl sulfide)ruthenium(III)","","- C6 H18 Cl3 Ru S3 -","- C6 H18 Cl3 Ru S3 -","- C24 H72 Cl12 Ru4 S12 -","4","1","HG6017","Bolton, Peter R.; Levason, William; Reid, Gillian; Webster, Michael","<i>mer</i>-Trichlorotris(dimethyl sulfide)ruthenium(III)","Acta Crystallographica Section E","2004","60","2","m207","m208","10.1107/S1600536804001047","","","0.71073","MoKα","","0.0359","0.0291","","","0.0611","0.0642","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203248","8.604","0.002","27.271","0.006","5.914","0.001","90","","90","","90","","1387.7","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","catena-Poly[[diaquazinc(II)-μ-benzene-1,3-dioxyacetate] dihydrate]","","- C10 H16 O10 Zn -","- C10 H8 O10 Zn -","- C40 H32 O40 Zn4 -","4","1","WW6150","Gao, Shan; Li, Jian-Rong; Liu, Ji-Wei; Huo, Li-Hua","<i>catena</i>-Poly[[diaquazinc(II)-μ-benzene-1,3-dioxyacetate] dihydrate]","Acta Crystallographica Section E","2004","60","2","m140","m141","10.1107/S1600536803029234","","","0.71073","MoKα","","0.0505","0.0376","","","0.0905","0.0933","","","","","","0.916","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203255","15.343","0.003","8.576","0.0014","4.8863","0.0008","90","","90","","90","","642.95","0.19","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Chloroethyl ethyl sulfide","","- C4 H9 Cl S -","- C4 H9 Cl S -","- C16 H36 Cl4 S4 -","4","1","YA6195","Zawadski, Alexander; Parsons, Simon","2-Chloroethyl ethyl sulfide: a mustard gas analogue","Acta Crystallographica Section E","2004","60","2","o225","o227","10.1107/S1600536804000753","","","0.71073","MoKα","","0.028","0.024","","0.064","0.062","0.064","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203277","25.6412","0.0014","4.9773","0.0003","22.3894","0.0016","90","","90","","90","","2857.4","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(3-chloro-4-methylphenyl)-N'-hydroxy-2-oxo-2-phenylacetamidine","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","2","CI6337","Hökelek, Tuncer; Büyükgüngör, Orhan; Taş, Murat; Batı, Hümeyra","<i>N</i>-(3-Chloro-4-methylphenyl)-<i>N</i>'-hydroxy-2-oxo-2-phenylacetamidine","Acta Crystallographica Section E","2004","60","3","o406","o408","10.1107/S1600536804003459","","","0.71073","MoKα","","0.098","0.0413","","","0.0878","0.0996","","","","","","0.753","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203383","8.156","0.004","18.251","0.005","5.172","0.007","90","","90","","90","","769.9","1.1","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","N,N'-diacetyl-1,3-diazo-2-one","1,3-diacetyl-4-imidazolin-2-one","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","1","BT6425","Crockett, Rowena; Forrester, Alexander R.; Howie, R. Alan","1,3-Diacetyl-4-imidazolin-2-one","Acta Crystallographica Section E","2004","60","4","o558","o560","10.1107/S1600536804005756","","","0.71073","MoKα","","0.1073","0.0558","","","0.0985","0.1132","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203411","10.041","0.005","9.389","0.005","11.45","0.006","90","","90","","90","","1079.4","1","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-Benzoyl-N'-ethylthiourea","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","CV6279","Yamin, Bohari M.; Kassim, Mohammad; Yusof, M. Sukeri M.; Shah, Nabihah M.","<i>N</i>-Benzoyl-<i>N</i>'-ethylthiourea","Acta Crystallographica Section E","2004","60","4","o556","o557","10.1107/S1600536804005355","","","0.71073","MoKα","","0.077","0.064","","","0.15","0.159","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203530","13.8776","0.0013","6.3855","0.0009","8.4","0.001","90","","90","","90","","744.37","0.15","160","","160","","","","","","","","","4","P n a 21","P 2c -2n","33","","(Chloromethyl)trimethylsilane","","- C4 H11 Cl Si -","- C4 H11 Cl Si -","- C16 H44 Cl4 Si4 -","4","1","YA6200","Fraser, Stewart; Parsons, Simon","(Chloromethyl)trimethylsilane at 160K","Acta Crystallographica Section E","2004","60","4","o564","o565","10.1107/S1600536804005276","","","0.71073","MoKα","","0.044","0.04","","0.115","0.112","0.115","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203616","12.088","0.005","20.492","0.009","6.289","0.003","90","","90","","90","","1557.8","1.2","110","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C64 H80 O32 -","8","2","LH6190","Darensbourg, Donald J.; Billodeaux, Damon R.; Ganguly, Poulomi","<i>cis</i>-Perhydro-1,4-benzodioxin-2,3-dione","Acta Crystallographica Section E","2004","60","5","o868","o869","10.1107/S1600536804009055","","","0.71073","MoKα","","","0.0608","","","","0.1407","","","","","","1.113","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203642","21.177","0.004","12.291","0.003","5.627","0.001","90","","90","","90","","1464.6","0.5","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","NA6320","Arrieta, Antonio F.; Arvid Mostad","5-(4-Hydroxy-3-methoxyphenyl)-1-phenylpent-4-ene-1,3-dione","Acta Crystallographica Section E","2004","60","5","o919","o921","10.1107/S1600536804010037","","","0.71073","MoKα","","0.037","0.032","","","0.084","0.09","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203725","12.291","0.001","8.294","0.001","12.273","0.001","90","","90","","90","","1251.1","0.2","287","2","287","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 F O -","- C15 H17 F O -","- C60 H68 F4 O4 -","4","1","CI6365","Shen-Lin Huang; Yu-Lin Zhu; Yuan-Jiang Pan","(<i>E</i>)-2-(2-Fluorobenzylidene)cyclooctanone","Acta Crystallographica Section E","2004","60","6","o1000","o1002","10.1107/S1600536804011079","","","0.71073","MoKα","","0.042","0.0315","","","0.0706","0.0731","","","","","","0.936","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203784","6.5253","0.0002","21.4286","0.0005","10.8198","0.0009","90","","90","","90","","1512.91","0.14","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","rac-5-Acetyl-6-(4-nitrophenyl)-6,7-dihydro-5H-1,3-dioxolo[4,5-g]quinoline-8-one","","- C18 H14 N2 O6 -","- C18 H14 N2 O6 -","- C72 H56 N8 O24 -","4","1","LH6221","Low, John N.; Cobo, Justo; Ortíz, Angy; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","<i>rac</i>-5-Acetyl-6-(4-nitrophenyl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinoline-8-one: chains of rings built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2004","60","6","o1057","o1059","10.1107/S1600536804012140","","","0.71073","MoKα","","0.0697","0.0415","","","0.0783","0.0865","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203916","18.436","0.008","6.551","0.003","24.274","0.01","90","","90","","90","","2932","2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Piperazinediium 3-nitrophthalate dihydrate","","- C12 H19 N3 O8 -","- C12 H19 N3 O8 -","- C96 H152 N24 O64 -","8","2","LH6232","Guo, Ming-Lin","Piperazinediium 3-nitrophthalate dihydrate","Acta Crystallographica Section E","2004","60","7","o1236","o1238","10.1107/S1600536804014692","","","0.71073","MoKα","","0.0808","0.0559","","","0.1431","0.1607","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203936","13.272","0.003","9.905","0.002","15.533","0.003","90","","90","","90","","2042","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H21.6 K Ni O6.3 -","- C15 H21 K Ni O6.3 -","- C60 H84 K4 Ni4 O25.2 -","4","1","OB6375","Reinaldo Atencio; Julián Reyes; Karina Ramírez; Teresa González; Ysaias Alvarado","Potassium tris(acetylacetonato)nickelate(II) 0.3-hydrate","Acta Crystallographica Section E","2004","60","7","m915","m917","10.1107/S1600536804013017","","","0.71073","MoKα","","0.0322","0.0275","","","0.0759","0.0793","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204036","10.5207","0.0001","11.8587","0.0001","10.9164","0.0002","90","","90","","90","","1361.95","0.03","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","Strontium clodronate","Pentaaqua(dichloromethylenebisphosphonato)strontium(II)","","- C H12 Cl2 O11 P2 Sr -","- C H12 Cl2 O11 P2 Sr -","- C4 H48 Cl8 O44 P8 Sr4 -","4","1","HG6061","Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","Pentaaqua(dichloromethylenebisphosphonato)strontium(II)","Acta Crystallographica Section E","2004","60","8","m1060","m1062","10.1107/S1600536804015764","","","0.71073","MoKα","","0.0202","0.0189","","","0.046","0.0466","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204144","13.298","0.001","19.333","0.003","5.359","0.0005","90","","90","","90","","1377.7","0.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Diaqua(napthalene-2,7-disulfonato)barium(II)","","- C10 H10 Ba O8 S2 -","- C10 H10 Ba O8 S2 -","- C40 H40 Ba4 O32 S8 -","4","1","CI6420","Huo, Li-Hua; Gao, Shan; Xu, Shi-Xiao; Zhao, Hui; Ng, Seik Weng","Polymeric diaqua(naphthalene-2,7-disulfonato)barium(II)","Acta Crystallographica Section E","2004","60","9","m1240","m1241","10.1107/S1600536804019348","","","0.71073","MoKα","","0.035","0.028","","","0.06","0.063","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204179","11.5641","0.0005","17.8801","0.0003","10.1058","0.0004","90","","90","","90","","2089.55","0.13","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[bis(1H-benzimidazole-κN^3^)cobalt(II)]-μ-isophthalate-κ^2^O:O']","","- C22 H16 Co N4 O4 -","- C22 H16 Co N4 O4 -","- C88 H64 Co4 N16 O16 -","4","1","HB6081","Jian-Rong Su; Yu Liu; Duan-Jun Xu","<i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-μ-isophthalato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","9","m1298","m1300","10.1107/S1600536804020446","","","0.71073","MoKα","","0.061","0.046","","","0.087","0.091","","","","","","1.112","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204260","14.546","0.003","15.065","0.004","6.93","0.002","90","","90","","90","","1518.6","0.7","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H15 N3 O9 -","- C14 H15 N3 O9 -","- C56 H60 N12 O36 -","4","1","AC6120","Ohba, Shigeru; Ito, Yoshikatsu; Arimoto, Satoru","3,4-Dihydroxybenzylammonium 3,5-dinitrobenzoate monohydrate","Acta Crystallographica Section E","2004","60","10","o1835","o1836","10.1107/S1600536804022974","","","0.71073","MoKα","","","0.0334","","","","0.0896","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204325","9.574","0.002","10.778","0.006","17.461","0.005","90","","90","","90","","1801.8","1.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","9-Dicyanomethylene-4,5-dinitrofluorene-2,7-disulfonamide","","- C16 H8 N6 O8 S2 -","- C16 H8 N6 O8 S2 -","- C64 H32 N24 O32 S8 -","4","1","CV6380","Batsanov, Andrei S.; Perepichka, Igor F.","9-Dicyanomethylene-4,5-dinitrofluorene-2,7-disulfonamide","Acta Crystallographica Section E","2004","60","10","o1892","o1894","10.1107/S160053680402361X","","","1.54178","CuKα","","0.0493","0.0414","","","0.1012","0.1056","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204467","14.1794","0.0015","8.6881","0.0009","13.2708","0.0013","90","","90","","90","","1634.9","0.3","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9-(4-Methoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","CI6464","Cheng Guo; Shujiang Tu; Tuanjie Li; Songlei Zhu","9-(4-Methoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2004","60","11","o2035","o2037","10.1107/S1600536804025796","","","0.7107","MoKα","","0.0491","0.0439","","","0.0928","0.0953","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204684","14.9111","0.0015","8.7445","0.0009","10.4465","0.001","90","","90","","90","","1362.1","0.2","198","2","198","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-Hydroxy-2-phenyl-4,7-dihydroisophosphindolinium chloride","2-hydroxy-2-phenyl-1,3,4,7-tetrahydroisophosphindenium chloride","","- C14 H16 Cl O P -","- C14 H16 Cl O P -","- C56 H64 Cl4 O4 P4 -","4","1","GH6002","Andreas Decken; Erin D. Gill; Frank Bottomley","2-Hydroxy-2-phenyl-4,7-dihydroisophosphindolinium chloride","Acta Crystallographica Section E","2004","60","12","o2221","o2222","10.1107/S1600536804027606","","","0.71073","MoKα","","0.0264","0.0254","","","0.0649","0.0659","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204795","7.646","0.003","11.07","0.004","13.815","0.004","90","","90","","90","","1169.3","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(1,3-dioxoisoindolin-2-yl)benzaldehyde","","- C15 H9 N O3 -","- C15 H9 N O3 -","- C60 H36 N4 O12 -","4","1","SJ6020","Liu, Xin-Gang; Feng, Ya-Qing; Wu, Peng; Chen, Xue; Li, Fei","4-(1,3-Dioxoisoindolin-2-yl)benzaldehyde","Acta Crystallographica Section E","2004","60","12","o2293","o2294","10.1107/S1600536804028272","","","0.71073","MoKα","","0.0591","0.0372","","","","0.0915","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204824","19.712","0.003","9.823","0.003","15.805","0.002","90","","90","","90","","3060.3","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","3-[2-Methoxy-5-(1-phenylethyl)phenyl]-2,5-diphenyl tetrahydro-4-isoxazolyl(2-thienyl)methanone","3-[2-Methoxy-5-(1-phenylethyl)phenyl]-2,5-diphenyl tetrahydro-4-isoxazolyl(2-thienyl)methanone","","- C36 H33 N O3 S -","- C36 H33 N O3 S -","- C144 H132 N4 O12 S4 -","4","1","WN6307","Sridharan, V.; Pon Saravanakumar, S.; Muthusubramanian, S.; Anitha, K.; Sridhar, B.","{3-[2-Methoxy-5-(1-methyl-1-phenylethyl)phenyl]-2,5-diphenyl-1,2,3,4-tetrahydro-4-isoxazol-4-yl}(2-thienyl)methanone","Acta Crystallographica Section E","2004","60","12","o2503","o2505","10.1107/S1600536804030296","","","0.71073","MoKα","","0.1105","0.0378","","","0.0828","0.1043","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204833","7.872","0.002","17.463","0.003","5.754","0.002","90","","90","","90","","791","0.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","2,7-dihydroxynaphthalene","Naphthalene-2,7-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","1","AC6141","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr","Naphthalene-2,7-diol","Acta Crystallographica Section E","2005","61","1","o114","o115","10.1107/S1600536804032453","","","0.71069","MoKα","","0.0494","0.0375","","","0.1178","0.1212","","","","","","1.196","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204856","10.352","0.002","8.7608","0.0018","13.811","0.003","90","","90","","90","","1252.5","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[silver(I)-μ-tris(2-aminoethyl)amine-κ^4^N,N',N'':N'''] perchlorate]","","- C6 H18 Ag Cl N4 O4 -","- C6 H18 Ag Cl N4 O4 -","- C24 H72 Ag4 Cl4 N16 O16 -","4","1","CI6493","Liu, Zhao-Di; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'':<i>N</i>'''] perchlorate]","Acta Crystallographica Section E","2005","61","1","m44","m46","10.1107/S160053680403168X","","","0.71073","MoKα","","0.0487","0.0362","","","0.0864","0.0919","","","","","","0.948","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204975","16.597","0.003","22.522","0.003","9.871","0.002","90","","90","","90","","3689.8","1.1","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H44 N6 O8 S2 -","- C32 H44 N6 O8 S2 -","- C128 H176 N24 O32 S8 -","4","1","TK6202","Ohba, Shigeru; Miyamoto, Hisakazu; Fujioka, Atsushi; Ikeuchi, Takahiro; Jean-Marie Lehn","<i>N,N</i>'-Bis(6-<i>tert</i>-butoxycarbonylamino-2-pyridyl)terephthalamide dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2005","61","1","o182","o184","10.1107/S1600536804033367","","","0.7107","MoKα","","","0.061","","","","0.207","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204990","7.1233","0.0003","17.3399","0.0007","9.5533","0.0004","90","","90","","90","","1180","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(6-Bromopyridin-2-yl)-3-methyl-3H-imidzol-1-ium bromide monoydrate","","- C9 H11 Br2 N3 O -","- C9 H11 Br2 N3 O -","- C36 H44 Br8 N12 O4 -","4","1","AC6155","Cheng, Bi Yun; Zeng, Jing Yao; Chiu, Pei Ling; Lee, Hon Man","1-(6-Bromopyridin-2-yl)-3-methyl-3<i>H</i>-imidazol-1-ium bromide monohydrate","Acta Crystallographica Section E","2005","61","2","o509","o510","10.1107/S1600536805002783","","","0.71073","MoKα","","0.0435","0.0346","","","0.0914","0.0971","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205014","13.3078","0.0019","7.9299","0.0011","15.168","0.002","90","","90","","90","","1600.7","0.4","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","15,18-dimethyl-5-dioxo-14- oxapentacyclo[11.4.1.0^2,15^.0^4,13^.0^6,11^]octadeca-3,6,8,10-tetraene- 18-carbaldehyde","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","BT6594","K. Ravikumar; B. Sridhar; S. Venkat Reddy; U. Sampath Kumar; J. Madhusudana Rao","The natural naphthoquinone sterekunthal-B","Acta Crystallographica Section E","2005","61","2","o494","o496","10.1107/S160053680500259X","","","0.71073","MoKα","","0.0399","0.0386","","","0.1027","0.1049","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205047","17.944","0.001","11.9692","0.0006","6.9072","0.0003","90","","90","","90","","1483.5","0.13","298","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(2-Phenylethyl)ammonium tetrabromothallate(III)","","- C8 H12 Br4 N Tl -","- C8 H12 Br4 N Tl -","- C32 H48 Br16 N4 Tl4 -","4","1","DN6172","M. Abdi; F. Zouari; N. Chniba-Boudjada; P. Bordet; A. Ben Salah","(2-Phenylethyl)ammonium tetrabromothallate(III)","Acta Crystallographica Section E","2005","61","2","m240","m241","10.1107/S1600536804033070","","","0.56085","AgKα","","0.0989","0.0511","","","0.107","0.1316","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2205147","11.818","0.004","7.422","0.003","24.425","0.009","90","","90","","90","","2142.4","1.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Poly[disilver(I)(Ag—Ag)-μ-4-chlorobenzoato-μ-piperazine]","","- C18 H18 Ag2 Cl2 N2 O4 -","- C18 H18 Ag2 Cl2 N2 O4 -","- C72 H72 Ag8 Cl8 N8 O16 -","4","1","SJ6025","Yang, Song; Zou, Ying; Zhu, Hai-liang","Poly[disilver(I)(<i>Ag</i>—<i>Ag</i>)-μ-4-chlorobenzoato-μ-piperazine]","Acta Crystallographica Section E","2005","61","2","m219","m220","10.1107/S1600536804033732","","","0.71073","MoKα","","0.0505","0.0351","","","0.0833","0.1006","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205195","15.3509","0.0006","11.6315","0.0004","5.9802","0.0002","90","","90","","90","","1067.79","0.07","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1-Piperidinyl)-1,3-benzothiazole","","- C12 H14 N2 S -","- C12 H14 N2 S -","- C48 H56 N8 S4 -","4","1","AC6153","Alvarez, Ricardo G.; Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D.","2-(1-Piperidinyl)-1,3-benzothiazole","Acta Crystallographica Section E","2005","61","3","o569","o570","10.1107/S160053680500320X","","","0.71073","MoKα","","0.0361","0.0284","","","0.0617","0.0647","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205306","14.0827","0.0017","17.674","0.003","7.2238","0.0004","90","","90","","90","","1798","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(3-hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro- 1H-pyrrole-2,5-dione","","- C20 H19 N O7 -","- C20 H19 N O7 -","- C80 H76 N4 O28 -","4","1","LH6360","Schollmeyer, Dieter; Christian Peifer; Gerd Dannhardt","4-(3-Hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section E","2005","61","3","o604","o606","10.1107/S1600536805003685","","","1.54178","CuKα","","0.0624","0.0513","","","0.1352","0.1452","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205312","18.0117","0.0005","20.208","0.0006","12.8156","0.0005","90","","90","","90","","4664.6","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-κ^2^O,O')bis(tetrahydrofuran- κN)iron(II)","","- C18 H18 F12 Fe O6 -","- C18 H18 F12 Fe O6 -","- C144 H144 F96 Fe8 O48 -","8","2","LH6396","Preuss, Kathryn E.; Wu, Jian; Jennings, Michael, C.","Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-κ^2^<i>O,O</i>')bis(tetrahydrofuran-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2005","61","3","m430","m432","10.1107/S1600536805002734","","","0.71073","MoKα","","0.0656","0.0435","","","0.1014","0.1125","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205406","25.824","0.009","18.944","0.008","4.001","0.001","90","","90","","90","","1957.3","1.2","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","9-Methylene-10,10-bis(phenylethynyl)fluorene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","BT6610","Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Berger, Harald","9-Methylene-10,10-bis(phenylethynyl)fluorene","Acta Crystallographica Section E","2005","61","4","o829","o830","10.1107/S1600536805005623","","","0.71073","MoKα","","0.0965","0.0445","","","0.0963","0.1265","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205464","6.0163","0.0004","29.332","0.003","9.1726","0.0008","90","0.007","90","0.007","90","0.007","1618.7","0.2","122","1","122","1","","","","","","","","4","P n a 21","P 2c -2n","33","2-(4-bromophenyl)-1-methyl-1H-phenanthro[9,10-d]imidazole","2-(4-bromophenyl)-1-methyl-1H-phenanthro[9,10-d]imidazole","","- C22 H15 Br N2 -","- C22 H15 Br N2 -","- C88 H60 Br4 N8 -","4","1","CV6465","Christian B. Nielsen; Michael Pittelkow; Henning O. Sørensen","2-(4-Bromophenyl)-1-methyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","Acta Crystallographica Section E","2005","61","4","o955","o956","10.1107/S1600536805007002","","","0.71073","MoKα","","0.0287","0.0238","","","0.054","0.0571","","","","","","1.148","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205638","10.083","0.004","12.576","0.004","13.849","0.005","90","","90","","90","","1756.1","1.1","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,8-Diphenyl-6-methyl-5H-pyrazolo[3,4-e]-1,2,4-triazolo[4,3-b]- 1,3,4-thiadiazepine","","- C19 H14 N6 S -","- C19 H14 N6 S -","- C76 H56 N24 S4 -","4","1","AT6005","Li-Min Yang; Zhao-Jie Liu","6-Methyl-3,8-diphenyl-5<i>H</i>-pyrazolo[3,4-<i>e</i>][1,2,4]triazolo[4,3-<i>b</i>][1,3,4]thiadiazepine","Acta Crystallographica Section E","2005","61","5","o1466","o1468","10.1107/S160053680501192X","","","0.71073","MoKα","","0.0591","0.0343","","","0.0716","0.0821","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205750","11.418","0.0007","13.9536","0.0008","3.8525","0.0002","90","","90","","90","","613.79","0.06","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","5-nitro-2-thiophenecarboxaldehyde","5-nitrothiophene-2-carbaldehyde","","- C5 H3 N O3 S -","- C5 H3 N O3 S -","- C20 H12 N4 O12 S4 -","4","1","LH6379","McBurney, Brian; Crundwell, Guy; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.","5-Nitrothiophene-2-carbaldehyde","Acta Crystallographica Section E","2005","61","5","o1221","o1222","10.1107/S1600536805009979","","","0.71073","MoKα","","0.0273","0.0273","","","0.0748","0.0748","","","","","","1.179","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205754","8.2741","0.0002","13.1807","0.0005","5.7182","0.0003","90","","90","","90","","623.62","0.04","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-Chloronicotinic acid","2-Chloropyridine-3-carboxylic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C24 H16 Cl4 N4 O8 -","4","1","LH6397","Souza, Marcus V. N. de; Wardell, Solange M. S. V.; Howie, R. Alan","2-Chloropyridine-3-carboxylic acid","Acta Crystallographica Section E","2005","61","5","o1347","o1349","10.1107/S160053680501024X","","","0.71073","MoKα","","0.0613","0.0545","","","0.1282","0.1329","","","","","","1.19","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205773","10.712","0.009","15.593","0.013","9.556","0.008","90","","90","","90","","1596","2","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Potassium tris(2-aminoethanesulfonato-κ^2^<i>N</i>,<i>O</i>)nickelate(II)","","- C6 H18 K N3 Ni O9 S3 -","- C6 H18 K N3 Ni O9 S3 -","- C24 H72 K4 N12 Ni4 O36 S12 -","4","1","OB6493","Yi-Min Jiang; Jin-Hua Cai; Zhi-Min Liu","Potassium tris(2-aminoethanesulfonato-κ^2^<i>N</i>,<i>O</i>)nickelate(II)","Acta Crystallographica Section E","2005","61","5","m878","m880","10.1107/S1600536805010846","","","0.71073","MoKα","","0.046","0.041","","","0.082","0.085","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205787","19.2667","0.0017","11.1275","0.001","6.6484","0.0006","90","","90","","90","","1425.4","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(μ-Formato-κ^2^O:O')aquachloro(1,10-phenanthroline-κ^2^N,N')manganese(II) monohydrate","","- C13 H13 Cl Mn N2 O4 -","- C13 H13 Cl Mn N2 O4 -","- C52 H52 Cl4 Mn4 N8 O16 -","4","1","OM6236","Jing Xiong; Wei-Dong Wang; Hong-Ping Xiao; Mao-Lin Hu","(μ-Formato-κ^2^<i>O</i>:<i>O</i>')aquachloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) monohydrate","Acta Crystallographica Section E","2005","61","5","m901","m903","10.1107/S1600536805011311","","","0.71073","MoKα","","0.0501","0.0457","","","0.0894","0.0913","","","","","","1.104","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205872","22.48","0.0014","22.1594","0.0015","7.7029","0.0006","90","","90","","90","","3837.1","0.5","173","1","173","1","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl (Z,E)-α-methoxyimino-α-(1-{[3- (trifluoromethyl)phenyl]ethylideneaminooxymethyl}benzene)acetate","","- C20 H19 F3 N2 O4 -","- C20 H19 F3 N2 O4 -","- C160 H152 F24 N16 O32 -","8","2","BT6661","Banerjee, Kaushik; Ligon, Axel Patrick; Schürmann, Markus; Preut, Hans; Spiteller, Michael","Methyl (<i>Z,E</i>)-α-(methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetate","Acta Crystallographica Section E","2005","61","6","o1569","o1570","10.1107/S160053680501336X","","","0.71073","MoKα","","0.0867","0.0329","","","0.0458","0.0502","","","","","","0.864","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205890","16.244","0.002","7.767","0.0008","15.3043","0.0019","90","","90","","90","","1930.9","0.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","poly[bis(N-methylformamide)tetra-μ-thiocyanato-cadmium(II)mercury(II)]","","- C8 H10 Cd Hg N6 O2 S4 -","- C8 H10 Cd Hg N6 O2 S4 -","- C32 H40 Cd4 Hg4 N24 O8 S16 -","4","1","CI6548","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Zhang, Guang Hui","Polymeric bis(<i>N</i>-methylformamide)tetrathiocyanatocadmium(II)mercury(II)","Acta Crystallographica Section E","2005","61","6","m1147","m1149","10.1107/S1600536805015394","","","0.71069","MoKα","","0.0716","0.0409","","","0.0713","0.0807","","","","","","0.969","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206029","10.618","0.003","16.224","0.004","6.9661","0.0015","90","","90","","90","","1200","0.5","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","(4aS*,7aR*)-2,10-Dioxoperhydrobenzo[d]naphthalene","(4aS*,7aR*)-2,10(3H,11H)-Dioxooctahydro-1H-benzo[d]naphthalene","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","OB6505","Thompson, Hugh W.; Lalancette, Roger A.","(4a<i>S</i>*,7a<i>R</i>*)-2,10-Dioxoperhydrobenzo[<i>d</i>]naphthalene","Acta Crystallographica Section E","2005","61","6","o1614","o1616","10.1107/S1600536805013759","","","0.71073","MoKα","","0.09","0.045","","","0.074","0.086","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206049","21","0.004","13.343","0.002","3.6863","0.0006","90","","90","","90","","1032.9","0.3","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Trimesic acid dihydrate","","- C9 H10 O8 -","- C9 H10 O8 -","- C36 H40 O32 -","4","1","RZ6072","Zhen-Zhong Fan; Xin-Hua Li; Guo-Ping Wang","Trimesic acid dihydrate","Acta Crystallographica Section E","2005","61","6","o1607","o1608","10.1107/S1600536805014194","","","0.71073","MoKα","","0.092","0.0788","","","0.1507","0.1563","","","","","","1.196","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206056","10.175","0.002","9.219","0.002","16.814","0.004","90","","90","","90","","1577.2","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1-carbonate","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","1","SG6007","Guo-Wu Rao; Jie Yan; Wei-Xiao Hu","Ethyl 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1-carboxylate","Acta Crystallographica Section E","2005","61","6","o1637","o1638","10.1107/S1600536805013620","","","0.71073","MoKα","","0.0536","0.0336","","","0.0887","0.0984","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206084","12.706","0.003","11.141","0.002","11.552","0.002","90","","90","","90","","1635.3","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-{[1-(1-Adamantyl)ethyl]iminomethyl}phenol","","- C19 H25 N O -","- C19 H25 N O -","- C76 H100 N4 O4 -","4","1","SU6200","Feng, Yun-Long; Zhao, Guo-Liang; Wen, Yi-Hang","4-{[1-(1-Adamantyl)ethyl]iminomethyl}phenol","Acta Crystallographica Section E","2005","61","6","o1771","o1773","10.1107/S1600536805014935","","","0.71073","MoKα","","0.0756","0.0421","","","0.0822","0.0855","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206272","9.1778","0.0018","14.768","0.003","7.6109","0.0015","90","","90","","90","","1031.6","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Trans-1,2-bis(4-pyridyl)ethylene monohydrate","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","RZ6088","Huang, Wei; Qian, Hui-Fen","<i>trans</i>-1,2-Bis(4-pyridyl)ethylene monohydrate","Acta Crystallographica Section E","2005","61","7","o2050","o2052","10.1107/S1600536805017666","","","0.71073","MoKα","","0.0367","0.0362","","","0.0894","0.0895","","","","","","1.168","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206372","5.9422","0.0002","28.3304","0.001","7.9071","0.0003","90","","90","","90","","1331.12","0.08","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","p-bromophenyl p-toluenesulfonate","4-bromophenyl 4-toluenesulfonate","","- C13 H11 Br O3 S -","- C13 H11 Br O3 S -","- C52 H44 Br4 O12 S4 -","4","1","CF6440","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Frank R. Fronczek","4-Bromophenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O and C—H···π interactions","Acta Crystallographica Section E","2005","61","8","o2736","o2738","10.1107/S1600536805023810","","","0.71073","MoKα","","0.0366","0.0348","","","0.0926","0.0944","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206405","11.452","0.003","8.859","0.002","19.352","0.008","90","","90","","90","","1963.3","1.1","296","1","296","1","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-Cyanopropan-2-yl)-isobutyramide","","- C8 H14 N2 O -","- C8 H14 N2 O -","- C64 H112 N16 O8 -","8","2","CV6555","Rodríguez, Verónica; Barba, Victor; Bernès, Sylvain; Quintero, Leticia; Sartillo-Piscil, Fernando","<i>N</i>-(2-Cyanopropan-2-yl)isobutyramide","Acta Crystallographica Section E","2005","61","8","o2733","o2735","10.1107/S1600536805023330","","","0.71073","MoKα","","0.0881","0.0519","","","0.1303","0.1515","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206480","10.212","0.003","10.051","0.002","16.611","0.003","90","","90","","90","","1705","0.7","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Propyl 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1-carboxylate","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","LH6426","Guo-Wu Rao; Wei-Xiao Hu","Propyl 3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1-carboxylate","Acta Crystallographica Section E","2005","61","8","o2431","o2432","10.1107/S1600536805019653","","","0.71073","MoKα","","0.0835","0.0356","","","0.0895","0.1055","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206528","15.6032","0.0007","15.9227","0.0007","16.3694","0.0007","90","","90","","90","","4066.9","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,5-Dimethyl-7-phenylsulfonyl-5,6-dihydroindolo[2,3-c]benzazepin-12-one","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C192 H160 N16 O24 S8 -","8","2","RZ6097","T. Ravishankar; K. Chinnakali; N. Arumugam; P. C. Srinivasan; Anwar Usman; Hoong-Kun Fun","2,5-Dimethyl-7-phenylsulfonyl-5,6-dihydroindolo[2,3-<i>c</i>]benzazepin-12-one","Acta Crystallographica Section E","2005","61","8","o2410","o2412","10.1107/S1600536805020842","","","0.71073","MoKα","","0.0855","0.0506","","","0.1079","0.1231","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206548","9.496","0.003","9.895","0.003","13.619","0.005","90","","90","","90","","1279.7","0.7","295","2","295","3","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Chlorosalicylaldehyde benzoylhydrazone","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","SJ6111","Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng","5-Chlorosalicylaldehyde benzoylhydrazone","Acta Crystallographica Section E","2005","61","8","o2415","o2416","10.1107/S1600536805020775","","","0.71073","MoKα","","0.031","0.03","","","0.084","0.085","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206559","22.574","0.008","3.9269","0.0015","6.626","0.002","90","","90","","90","","587.4","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Methylthiazole-5-carbaldehyde","","- C5 H5 N O S -","- C5 H5 N O S -","- C20 H20 N4 O4 S4 -","4","1","SU6210","Dong, Min; Sun, Liang-Dong","4-Methylthiazole-5-carbaldehyde","Acta Crystallographica Section E","2005","61","8","o2712","o2713","10.1107/S1600536805023202","","","0.71073","MoKα","","0.0658","0.0446","","","0.1122","0.119","","","","","","1.162","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206770","16.876","0.002","8.2937","0.0009","13.6237","0.0016","90","","90","","90","","1906.8","0.4","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(1,3-Diaminopropane-κ^2^N,N')[tris(2-aminoethyl)amine- κ^4^N,N',N'',N''']nickel(II) bis(perchlorate)","","- C9 H28 Cl2 N6 Ni O8 -","- C9 H28 Cl2 N6 Ni O8 -","- C36 H112 Cl8 N24 Ni4 O32 -","4","1","OB6559","Yung-Chan Lin; Tian-Huey Lu; Chang-Yao Li; Fen-Ling Liao; Chung-Sun Chung","(1,3-Diaminopropane-κ^2^<i>N</i>,<i>N</i>')[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) bis(perchlorate)","Acta Crystallographica Section E","2005","61","9","m1757","m1759","10.1107/S1600536805025225","","","0.71073","MoKα","","0.0267","0.0251","","","0.0616","0.0624","","","","","","0.953","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206781","10.2724","0.0009","15.839","0.0013","12.9779","0.0011","90","","90","","90","","2111.6","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Benzyl-2-[2-(benzyloxy)phenyl]-1H-benzimidazole","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","RN6057","Tong, Yi-Ping","1-Benzyl-2-[2-(benzyloxy)phenyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","9","o2978","o2980","10.1107/S1600536805025675","","","0.71073","MoKα","","0.0542","0.0446","","","0.1047","0.1101","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206803","22.446","0.003","3.8547","0.0005","11.5504","0.0015","90","","90","","90","","999.4","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(2-Hydroxyphenyl)-1,3-benzoxazole","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","TK6249","Tong, Yi-Ping","2-(2-Hydroxyphenyl)-1,3-benzoxazole","Acta Crystallographica Section E","2005","61","9","o3076","o3078","10.1107/S1600536805027066","","","0.71073","MoKα","","0.079","0.059","","","0.154","0.17","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206878","8.0023","0.0009","28.549","0.003","5.2574","0.0006","90","","90","","90","","1201.1","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","Isatin 3-benzoylhydrazone","2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde benzoylhydrazone","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","BT6734","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","Isatin 3-benzoylhydrazone: an orthorhombic form","Acta Crystallographica Section E","2005","61","10","o3287","o3288","10.1107/S1600536805028709","","","0.71073","MoKα","","0.079","0.058","","","0.166","0.191","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207646","7.067","0.001","24.123","0.002","13.379","0.001","90","","90","","90","","2280.8","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[[aqua(di-2-pyridylamine-κ^2^N^2^,N^2'^)copper(II)]-μ- thiophene-2,5-dicarboxylato-κ^2^O^2^:O^5^] N,N-dimethylformamide monohydrate]","","- C19 H22 Cu N4 O7 S -","- C19 H22 Cu N4 O7 S -","- C76 H88 Cu4 N16 O28 S4 -","4","1","SJ6152","Hong-Ping Xiao","<i>catena</i>-Poly[[[aqua(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)copper(II)]-μ-thiophene-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] <i>N</i>,<i>N</i>-dimethylformamide monohydrate]","Acta Crystallographica Section E","2005","61","12","m2592","m2594","10.1107/S1600536805036433","","","0.71073","MoKα","","0.0337","0.0307","","","0.0738","0.0751","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207693","15.376","0.0003","11.5504","0.0002","26.0798","0.0005","90","","90","","90","","4631.75","0.15","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Diethyl 2-(3,4-dicyanophenyl)-2-[(2-naphthyl)methyl]malonate","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C208 H176 N16 O32 -","8","2","WN6398","Sema Öztürk Yıldırım; Mehmet Akkurt; M. Kasım Şener; Makbule Burkut Koçak; H.-K. Fun","Diethyl 2-(3,4-dicyanophenyl)-2-[(2-naphthyl)methyl]malonate","Acta Crystallographica Section E","2005","61","12","o4101","o4103","10.1107/S1600536805036494","","","0.71073","MoKα","","0.1193","0.0533","","","0.0973","0.1181","","","","","","1.011","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207694","7.165","0.002","16.345","0.002","13.963","0.003","90","","90","","90","","1635.2","0.6","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","10-(3-Methoxybenzylidene)anthrone","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","WN6399","Wei Zhou; Xue-Feng Liu; Wei-Xiao Hu; Chun-Nian Xia","10-(3-Methoxybenzylidene)anthrone","Acta Crystallographica Section E","2005","61","12","o4263","o4265","10.1107/S1600536805038195","","","0.71073","MoKα","","0.1304","0.0534","","","0.1464","0.1841","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207782","28.318","0.002","7.0471","0.0005","15.094","0.001","90","","90","","90","","3012.2","0.4","299","2","299","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4,5-Dibromo-N-(8-quinolyl)thiophene-2-sulfonamide","","- C13 H8 Br2 N2 O2 S2 -","- C13 H8 Br2 N2 O2 S2 -","- C104 H64 Br16 N16 O16 S16 -","8","2","HG6272","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","4,5-Dibromo-<i>N</i>-(8-quinolyl)thiophene-2-sulfonamide","Acta Crystallographica Section E","2006","62","1","o309","o310","10.1107/S1600536805041693","","","0.71073","MoKα","","0.0863","0.0447","","","0.0902","0.1032","","","","","","0.884","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207785","9.6596","0.0007","14.5552","0.0011","13.547","0.001","90","","90","","90","","1904.7","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","trans-1,2-Bis(1-methylbenzimidazol-2-yl)cyclohexane monohydrate","","- C22 H26 N4 O -","- C22 H26 N4 O -","- C88 H104 N16 O4 -","4","1","HG6277","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","<i>trans</i>-1,2-Bis(1-methylbenzimidazol-2-yl)cyclohexane monohydrate","Acta Crystallographica Section E","2006","62","1","o140","o142","10.1107/S1600536805040444","","","0.71073","MoKα","","0.0464","0.0412","","","0.1024","0.106","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207831","15.492","0.005","15.925","0.005","10.885","0.005","90","","90","","90","","2685.4","1.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Aquachlorotriphenyltin(IV) pyridine disolvate","","- C28 H27 Cl N2 O Sn -","- C28 H27 Cl N2 O Sn -","- C112 H108 Cl4 N8 O4 Sn4 -","4","1","LH6561","Shun-Li Li; Jian-Fang Ma; Ying-Ying Liu","Aquachlorotriphenyltin(IV) pyridine disolvate","Acta Crystallographica Section E","2006","62","1","m172","m174","10.1107/S1600536805042315","","","0.71069","MoKα","","0.0223","0.0189","","","0.0476","0.0489","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207832","14.1598","0.0016","14.0629","0.0016","10.8624","0.0012","90","","90","","90","","2163","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","9-(4-Bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10-hexahydroacridine- 1,8(2H,7H)-dione","","- C23 H26 Br N O2 -","- C23 H26 Br N O2 -","- C92 H104 Br4 N4 O8 -","4","1","LH6563","Jia-Ning Xu; Jin-Peng Zhang; Qian Wang; Xiao-Tong Zhu; Shu-Jiang Tu","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","2006","62","1","o226","o227","10.1107/S1600536805041127","","","0.71073","MoKα","","0.08","0.0369","","","0.0749","0.0906","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207952","10.305","0.0003","20.9052","0.0006","5.7182","0.0013","90","","90","","90","","1231.9","0.3","90","0.2","90","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-2-(2-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","AC6225","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(2-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","2","o393","o395","10.1107/S1600536805042625","","","0.71073","MoKα","","0.1041","0.0454","","","0.0804","0.098","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208103","8.996","0.002","21.63","0.006","6.16","0.0016","90","","90","","90","","1198.6","0.5","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(1-Cyano-1-methylethyl)-1,2,3-benzothiadiazole-7-carboxamide","","- C11 H10 N4 O S -","- C11 H10 N4 O S -","- C44 H40 N16 O4 S4 -","4","1","JH6033","Zhao, Jian-Zhuang; Liu, Feng-Li; Song, Hai-Bin; Liu, Xiu-Feng; Fan, Zhi-Jin","<i>N</i>-(1-Cyano-1-methylethyl)-1,2,3-benzothiadiazole-7-carboxamide","Acta Crystallographica Section E","2006","62","2","o630","o631","10.1107/S1600536806001012","","","0.71073","MoKα","","0.0396","0.0312","","","0.0736","0.0784","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208147","7.9996","0.0016","8.2377","0.0016","24.153","0.005","90","","90","","90","","1591.6","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[diaquacalcium(II)]bis[μ-2-oxo-1,2-dihydropyridine-1-acetato]]","","- C14 H16 Ca N2 O8 -","- C14 H16 Ca N2 O8 -","- C56 H64 Ca4 N8 O32 -","4","1","RZ6076","Jing-Gui Zhao; Shan Gao; Zhu-Yan Zhang; Li-Hua Huo; Hui Zhao","<i>catena</i>-Poly[[diaquacalcium(II)]bis[μ-2-oxo-1,2-dihydropyridine-1-acetato]]","Acta Crystallographica Section E","2006","62","2","m278","m280","10.1107/S160053680501473X","","","0.71073","MoKα","","0.0378","0.0303","","","0.07","0.0734","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208178","11.927","0.002","11.927","0.001","11.228","0.002","90","","90","","90","","1597.2","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[{2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}iron(III)]-μ-azido]","","- C17 H16 Fe N5 O2 -","- C17 H16 Fe N5 O2 -","- C68 H64 Fe4 N20 O8 -","4","1","SU6264","Sanjun Peng; Tao Yang; Congshan Zhou","<i>catena</i>-Poly[[{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}iron(III)]-μ-azido]","Acta Crystallographica Section E","2006","62","2","m235","m236","10.1107/S1600536806000274","","","0.71073","MoKα","","0.0521","0.0464","","","0.1124","0.116","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208351","8.2889","0.0006","8.5229","0.0008","31.158","0.003","90","","90","","90","","2201.2","0.3","295","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","Bis(9-ethylcarbazol-3-yl)methane","Bis(9-ethyl-9H-carbazol-3-yl)methane","","- C29 H26 N2 -","- C29 H26 N2 -","- C116 H104 N8 -","4","1","HK2005","Asker, Erol; Masnovi, John","Bis(9-ethylcarbazol-3-yl)methane","Acta Crystallographica Section E","2006","62","3","o1013","o1015","10.1107/S1600536806004685","","","0.71073","MoKα","","0.0619","0.0415","","","0.0919","0.0994","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208355","12.6228","0.0003","13.082","0.0003","10.7032","0.0002","90","","90","","90","","1767.44","0.07","233","2","233","2","","","","","","","","4","P n a 21","P 2c -2n","33","","{4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenoxy}trimethyltin(IV)","","- C18 H24 O2 Sn -","- C18 H24 O2 Sn -","- C72 H96 O8 Sn4 -","4","1","HK6081","Aziz-ur-Rehman; Ali, Saqib; Najam-ul-Haq, Muhammad; Shahzadi, Saira; Wurst, Klaus","{4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenoxy}trimethyltin(IV)","Acta Crystallographica Section E","2006","62","3","m451","m453","10.1107/S1600536806003941","","","0.71073","MoKα","","0.0191","0.0182","","","0.0448","0.0454","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208473","11.713","0.001","14.951","0.001","21.877","0.002","90","","90","","90","","3831.1","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-{[(2-Hydroxy-1-naphthyl)methylidene]amino}-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C176 H152 N24 O16 -","8","2","AC2010","You, Zhong-Lu; Wang, Jia; Chi, Jing-Yun","4-{[(2-Hydroxy-1-naphthyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","4","o1652","o1653","10.1107/S160053680601110X","","","0.71073","MoKα","","0.1148","0.069","","","0.1541","0.1797","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208554","14.155","0.003","14.352","0.003","10.704","0.003","90","","90","","90","","2174.5","0.9","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","9-(3,4-Dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C23 H25 Cl2 N O2 -","- C23 H25 Cl2 N O2 -","- C92 H100 Cl8 N4 O8 -","4","1","CI2020","Liang-Ce Rong; Xiao-Yue Li; Chang-Sheng Yao; Hai-Ying Wang; Da-Qing Shi","9-(3,4-Dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2006","62","4","o1326","o1327","10.1107/S1600536806007951","","","0.71073","MoKα","","0.1454","0.0689","","","0.1565","0.1862","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208568","12.81","0.003","25.693","0.005","3.992","0.0008","90","","90","","90","","1313.9","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C64 H52 Cl4 O8 -","4","1","CV2013","Qiu, Xiao-Yang; Yang, Sen-Lin; Liu, Wei-Sheng; Zhu, Hai-liang","(<i>E</i>)-1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1627","o1628","10.1107/S1600536806009561","","","0.71073","MoKα","","0.1117","0.0992","","","0.1825","0.1876","","","","","","1.337","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208601","15.743","0.001","11.697","0.001","6.995","0.001","90","","90","","90","","1288.1","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Pentaaqua(pyridine-3,5-dicarboxylato-κN)nickel(II) dihydrate","","- C7 H17 N Ni O11 -","- C7 H17 N Ni O11 -","- C28 H68 N4 Ni4 O44 -","4","1","HB2015","Zhang, Xiang-Pei; Yang, Guang; Ng, Seik Weng","Pentaaqua(pyridine-3,5-dicarboxylato-κ<i>N</i>)nickel(II) dihydrate","Acta Crystallographica Section E","2006","62","4","m791","m792","10.1107/S1600536806008865","","","0.71073","MoKα","","0.024","0.022","","","0.064","0.066","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2208644","17.182","0.003","6.66","0.001","14.73","0.003","90","","90","","90","","1685.6","0.5","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N^2^-benzoyl-N^1^-(4-methylphenyl)-N^3^-pyridinioguanidin-3-ide","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","KP2002","Cunha, Silvio; Vencato, Ivo; Rodrigues Jr, Manoel T.; Macedo Jr, Fernando C. de; Sabino, Jose R.","Polyfunctionalized pyridinium <i>N</i>-benzoylguanidine: <i>N</i>^2^-benzoyl-<i>N</i>^1^-(4-methylphenyl)-<i>N</i>^3^-pyridinioguanidin-3-ide","Acta Crystallographica Section E","2006","62","4","o1408","o1410","10.1107/S1600536806009111","","","1.5418","CuKα","","0.0538","0.0463","","","0.1154","0.1542","","","","","","1.197","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208691","25.2387","0.0009","14.4943","0.0006","14.2058","0.0005","90","","90","","90","","5196.7","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Hexaaqua-1κ^3^O,3κ^3^O-tri-μ-cyano-1:2κ^2^N:C;2:3κ^2^C:N;3:4κ^2^N:C- nonacyano-2κ^4^C,4κ^5^C-pentakis(N,N-dimethylacetamide)-1κ^3^O,3κ^2^O- diiron(III)diytterbium(III) dihydrate","","- C32 H61 Fe2 N17 O13 Yb2 -","- C32 H61 Fe2 N17 O13 Yb2 -","- C128 H244 Fe8 N68 O52 Yb8 -","4","1","OM2005","Svendsen, Helle; Overgaard, Jacob; Chevalier, Marie A.; Iversen, Bo B.","Hexaaqua-1κ^3^<i>O</i>,3κ^3^<i>O</i>-tri-μ-cyano-1:2κ^2^<i>N</i>:<i>C</i>;2:3κ^2^<i>C</i>:<i>N</i>;3:4κ^2^<i>N</i>:<i>C</i>-nonacyano-2κ^4^<i>C</i>,4κ^5^<i>C</i>-pentakis(<i>N</i>,<i>N</i>-dimethylacetamide)-1κ^3^<i>O</i>,3κ^2^<i>O</i>-diiron(III)diytterbium(III) dihydrate","Acta Crystallographica Section E","2006","62","4","m793","m795","10.1107/S160053680600883X","","","0.71073","MoKα","","0.0378","0.0269","","","0.0491","0.0538","","","","","","1.165","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208710","11.142","0.0014","10.4997","0.0012","10.7201","0.0013","90","","90","","90","","1254.1","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","tert-Butyl 3-endo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","SJ2002","Chen, Shuang-Wei; Xu, Cai-Hong; Zheng, Guo-Rong; Jin, Xu-Fu","<i>tert</i>-Butyl 3-<i>endo</i>-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate","Acta Crystallographica Section E","2006","62","4","o1233","o1234","10.1107/S1600536806006039","","","0.71073","MoKα","","0.0453","0.0382","","","0.0891","0.093","","","","","","0.935","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208718","9.9409","0.0006","20.9722","0.0014","8.4392","0.0006","90","","90","","90","","1759.4","0.2","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N,N'-Triacetyl-2,6-diamino-4-t-butylanisole","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C68 H96 N8 O16 -","4","1","SJ2012","Polson, Matthew I. J.; Steel, Peter J.","<i>N</i>,<i>N</i>,<i>N</i>'-Triacetyl-2,6-diamino-4-<i>tert</i>-butylanisole","Acta Crystallographica Section E","2006","62","4","o1300","o1301","10.1107/S1600536806007768","","","0.71073","MoKα","","0.0353","0.0336","","","0.088","0.0893","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208730","12.8179","0.0004","25.555","0.0006","3.9175","0.0001","90","","90","","90","","1283.22","0.06","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C64 H52 Cl4 O8 -","4","1","SJ2028","Harrison, William T. A.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Indira, J.","1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","4","o1647","o1649","10.1107/S1600536806010865","","","0.71073","MoKα","","0.0337","0.0286","","","0.0685","0.0711","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208741","7.2542","0.0008","19.542","0.002","11.2855","0.0011","90","","90","","90","","1599.9","0.3","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ethyl 5-bromo-9-ethoxy-2-oxo-2H-pyrano[2,3-g]quinoline-8-carboxylate","","- C17 H14 Br N O5 -","- C17 H14 Br N O5 -","- C68 H56 Br4 N4 O20 -","4","1","WK2003","César D. de Oliveira; Gilberto A. Romeiro; Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","Ethyl 5-bromo-9-ethoxy-2-oxo-2<i>H</i>-pyrano[2,3-<i>g</i>]quinoline-8-carboxylate","Acta Crystallographica Section E","2006","62","4","o1492","o1493","10.1107/S1600536806007148","","","0.71073","MoKα","","0.0865","0.0324","","","0.0594","0.0688","","","","","","0.803","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208742","7.148","0.0009","19.653","0.003","11.115","0.0014","90","","90","","90","","1561.4","0.4","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ethyl 5-chloro-9-ethoxy-2-oxo-2H-pyrano[2,3-g]quinoline-8-carboxylate","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","1","WK2004","César D. de Oliveira; Gilberto A. Romeiro; Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","Ethyl 5-chloro-9-ethoxy-2-oxo-2<i>H</i>-pyrano[2,3-<i>g</i>]quinoline-8-carboxylate","Acta Crystallographica Section E","2006","62","4","o1494","o1495","10.1107/S160053680600715X","","","0.71073","MoKα","","0.2017","0.0518","","","0.0554","0.0756","","","","","","0.791","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208879","29.599","0.006","11.359","0.002","5.1586","0.001","90","","90","","90","","1734.4","0.6","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","dicyclohexylamine‒cyclohexanone oxime (1/1)","","- C18 H34 N2 O -","- C18 H34 N2 O -","- C72 H136 N8 O4 -","4","1","FL2015","Chetina, Olga V.; Yufit, Dmitry S.; Howard, Judith A. K.","A 1:1molecular complex of dicyclohexylamine and cyclohexanone oxime","Acta Crystallographica Section E","2006","62","5","o2053","o2055","10.1107/S1600536806014310","","","0.71073","Mo-Kα","","0.0565","0.0371","","","0.0821","0.094","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208987","20.366","0.003","7.0174","0.0009","8.0292","0.0011","90","","90","","90","","1147.5","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","Benzyl-N,N'-diethylamonium chloride","Benzyldiethylammonium chloride","","- C11 H18 Cl N -","- C11 H18 Cl N -","- C44 H72 Cl4 N4 -","4","1","SG2016","Daniel Lorono-Gonzalez","Benzyldiethylammonium chloride","Acta Crystallographica Section E","2006","62","5","o1735","o1737","10.1107/S1600536806011299","","","0.71073","MoKα","","0.0459","0.0346","","","0.0678","0.0699","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209046","18.697","0.004","11.899","0.003","8.722","0.002","90","","90","","90","","1940.4","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","WW6470","Cui, Chun Mei; Zhou, Hong Ping; Zhu, Chen Hao; Wu, Jie Ying","Tris(4-acetylphenyl)amine","Acta Crystallographica Section E","2006","62","5","o1762","o1763","10.1107/S1600536806010270","","","0.71073","MoKα","","0.1021","0.0445","","","0.0989","0.1255","","","","","","1.036","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209105","7.1911","0.0006","12.1574","0.0012","18.7595","0.0012","90","","90","","90","","1640.1","0.2","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","3-methoxyanilinium 5-sulfosalicylate dihydrate","3-methoxyanilinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate","","- C14 H19 N O9 S -","- C14 H19 N O9 S -","- C56 H76 N4 O36 S4 -","4","1","BT2078","Graham Smith; Urs D. Wermuth; Peter C. Healy","3-Methoxyanilinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate","Acta Crystallographica Section E","2006","62","6","o2313","o2315","10.1107/S1600536806017090","","","0.71069","MoKα","","0.069","0.0371","","","0.0969","0.1294","","","","","","0.843","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209119","29.8317","0.0015","3.8344","0.0002","10.6476","0.0005","90","","90","","90","","1217.94","0.11","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","4'-Chloro-2,2':6',2''-terpyridine","","- C15 H10 Cl N3 -","- C15 H10 Cl N3 -","- C60 H40 Cl4 N12 -","4","1","CF2025","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","4'-Chloro-2,2':6',2''-terpyridine","Acta Crystallographica Section E","2006","62","6","o2497","o2498","10.1107/S1600536806019180","","","0.71073","MoKα","","0.0468","0.03","","0.0368","0.032","0.032","","","","","","0.942","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209252","24.245","0.004","4.358","0.001","11.401","0.002","90","","90","","90","","1204.6","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-2-[(5-methylpyridin-2-ylimino)methyl]phenol","","- C13 H11 Br N2 O -","- C13 H11 Br N2 O -","- C52 H44 Br4 N8 O4 -","4","1","LH2069","Yang, De-Suo","4-Bromo-2-[(5-methylpyridin-2-ylimino)methyl]phenol","Acta Crystallographica Section E","2006","62","6","o2365","o2366","10.1107/S1600536806017211","","","0.71073","MoKα","","0.0866","0.0442","","","0.0968","0.117","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209322","11.108","0.002","25.481","0.005","4.0203","0.0008","90","","90","","90","","1137.9","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Amino-3-(4-methoxybenzylideneamino)butenedinitrile","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","SJ2073","Wu, Chang-Ju; Zhang, Xia; Zhang, Gui-Qiu; Liu, Lian-Dong; Shi, Jing-Min","2-Amino-3-(4-methoxybenzylideneamino)butenedinitrile","Acta Crystallographica Section E","2006","62","6","o2571","o2572","10.1107/S160053680601960X","","","0.71073","MoKα","","0.0496","0.0476","","","0.1239","0.1266","","","","","","1.312","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209323","8.6851","0.0011","28.485","0.003","5.4644","0.0005","90","","90","","90","","1351.9","0.3","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","3-(4-ethoxyanilino)phthalide","3-(4-ethoxyanilino)isobenzofuran-1(3H)-one","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","SJ2076","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Ethoxyanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","6","o2558","o2559","10.1107/S1600536806019350","","","0.71073","MoKα","","0.0805","0.0404","","","0.0716","0.0823","","","","","","0.954","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209420","13.9581","0.0002","13.1337","0.0006","4.011","0.0007","90","","90","","90","","735.3","0.13","90","0.2","90","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","6-nitroguaiacol","2-methoxy-3-nitrophenol","","- C7 H7 N O4 -","- C7 H7 N O4 -","- C28 H28 N4 O16 -","4","1","BT2114","Behrman, David M.; Behrman, E. J.; Parkin, Sean","2-Methoxy-3-nitrophenol","Acta Crystallographica Section E","2006","62","7","o3119","o3121","10.1107/S1600536806023713","","","0.71073","MoKα","","0.059","0.0392","","","0.092","0.1041","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209436","18.9815","0.0006","6.6643","0.0002","14.8702","0.0004","90","","90","","90","","1881.06","0.1","123","2","","","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>m</i>-Nitrophenylmaleimide","","- C10 H6 N2 O4 -","- C10 H6 N2 O4 -","- C80 H48 N16 O32 -","8","2","CF2029","Moreno-Fuquen, Rodolfo; Valencia, Hoover; Pardo, Zulay Diney; D'Vries, Richard; Kennedy, Alan R.","<i>N</i>-(3-Nitrophenyl)maleimide","Acta Crystallographica Section E","2006","62","7","o2734","o2735","10.1107/S1600536806020940","","","0.71073","MoKα","","0.068","0.045","","","0.105","0.119","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209508","9.6237","0.0007","18.883","0.0012","8.4729","0.0004","90","","90","","90","","1539.73","0.17","150","1","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Ethyl 2-acetonyl-3-(1H-isochromen-1-yl)acrylate","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","HB2068","Lough, Alan J.; Villeneuve, Karine; Tam, William","Ethyl 2-acetonyl-3-(1<i>H</i>-isochromen-1-yl)acrylate","Acta Crystallographica Section E","2006","62","7","o2582","o2583","10.1107/S1600536806019751","","","0.71073","MoKα","","0.0505","0.0397","","","0.0932","0.0992","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209542","10.331","0.003","6.322","0.002","8.52","0.003","90","","90","","90","","556.5","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Nitropropane-1,3-diol","","- C3 H7 N O4 -","- C3 H7 N O4 -","- C12 H28 N4 O16 -","4","1","HK2051","Sha-Sha Liu; Xiao-Hong Ren; Shuai Zhao; Hong-Mei Niu; Jian Xu","2-Nitropropane-1,3-diol","Acta Crystallographica Section E","2006","62","7","o2822","o2823","10.1107/S1600536806021866","","","0.71073","MoKα","","0.0415","0.0339","","","0.0807","0.0855","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209604","9.839","0.006","10.937","0.004","13.836","0.008","90","","90","","90","","1488.9","1.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","N-Benzoyl-N'-methyl-N'-(p-tolylsulfonyl)hydrazine","N-Methyl-N-[(4-methylphenyl)sulfonyl]-N'-benzoylhydrazine","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","LH2100","Zareef, Muhammad; Iqbal, Rashid; Zaidi, Javid H.; Arfan, Muhammad; Parvez, Masood","<i>N</i>-Benzoyl-<i>N</i>'-methyl-<i>N</i>'-(<i>p</i>-tolylsulfonyl)hydrazine","Acta Crystallographica Section E","2006","62","7","o3049","o3051","10.1107/S1600536806023877","","","0.71073","MoKα","","0.063","0.044","","","0.09","0.1","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209621","28.3884","0.0005","3.9343","0.0001","12.0092","0.0002","90","","90","","90","","1341.29","0.05","100","0.1","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(2,4-Dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O -","- C16 H12 Cl2 O -","- C64 H48 Cl8 O4 -","4","1","OB2030","P. S. Patil; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","3-(2,4-Dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","7","o3096","o3098","10.1107/S1600536806024445","","","0.71073","MoKα","","0.0665","0.0568","","","0.1319","0.1407","","","","","","1.181","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209657","11.4138","0.0009","9.5508","0.0008","13.5082","0.0011","90","","90","","90","","1472.5","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-amino-1H-pyrazole- 3-carbonitrile","","- C11 H4 Cl3 F3 N4 -","- C11 H4 Cl3 F3 N4 -","- C44 H16 Cl12 F12 N16 -","4","1","SJ2080","Li, Shu-Yan; Zhong, Ping; Hu, Mao-Lin; Li, Jin-Hai","5-Amino-4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2006","62","7","o3090","o3091","10.1107/S1600536806023919","","","0.71073","MoKα","","0.0819","0.0693","","","0.165","0.1737","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209912","17.695","0.004","8.361","0.0009","8.805","0.0012","90","","90","","90","","1302.7","0.4","133","2","133","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Diethyl diprop-2-ynylmalonate","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","KP2029","Ye-Fei Nan; Yu-Ping Wei; Xiao-Xiao Li; Chang-Hua Hua; Liang-Dong Sun","Diethyl diprop-2-ynylmalonate","Acta Crystallographica Section E","2006","62","8","o3233","o3234","10.1107/S1600536806025505","","","0.7107","MoKα","","0.0399","0.037","","","0.0915","0.0944","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209925","12.595","0.006","12.128","0.009","7.699","0.006","90","","90","","90","","1176","1.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","3-(2-Bromophenyl)isocoumarin","3-(2-Bromophenyl)isocoumarin","","- C15 H9 Br O2 -","- C15 H9 Br O2 -","- C60 H36 Br4 O8 -","4","1","LH2111","Saeed, Aamer; Eide, van der Edwin; Parvez, Masood","3-(2-Bromophenyl)isocoumarin","Acta Crystallographica Section E","2006","62","8","o3262","o3263","10.1107/S1600536806024998","","","0.71073","MoKα","","0.053","0.038","","","0.084","0.094","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209931","15.8744","0.0012","7.8637","0.001","16.562","0.002","90","","90","","90","","2067.5","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","(Benzo-18-crown-6)potassium chlorochromate","(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16- benzohexaoxacyclooctadecine)potassium chlorochromate","","- C16 H24 Cl Cr K O9 -","- C16 H24 Cl Cr K O9 -","- C64 H96 Cl4 Cr4 K4 O36 -","4","1","LH2117","Kotlyar, S. A.; Zubatyuk, R. I.; Shishkin, O. V.; Kiriyak, A. V.; Pluzhnik-Gladyr, S. M.; Kamalov, G. L","(Benzo-18-crown-6)potassium chlorochromate(VI)","Acta Crystallographica Section E","2006","62","8","m1790","m1792","10.1107/S1600536806025360","","","0.71073","MoKα","","","0.0268","","","","0.0503","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209946","33.283","0.005","9.2443","0.0013","23.979","0.004","90","","90","","90","","7378","2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","[(Ph3P)2P +] [AlCl4 -] . 0.5 CH2Cl2","1,1,1,3,3,3-hexaphenyltriphosphenium tetrachloroaluminate dichloromethane hemisolvate","","- C73 H62 Al2 Cl10 P6 -","- C36.5 H31 Al Cl5 P3 -","- C292 H248 Al8 Cl40 P24 -","8","2","LH2136","Ellis, Bobby D.; Macdonald, Charles L. B.","Redetermination of an acyclic triphosphenium tetrachloroaluminate salt at 173K","Acta Crystallographica Section E","2006","62","8","m1869","m1870","10.1107/S160053680602722X","","","0.71073","MoKα","","0.0633","0.0492","","","0.1176","0.131","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209951","15.405","0.006","4.8694","0.0019","13.587","0.005","90","","90","","90","","1019.2","0.7","571","2","571","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Amino-3-(4-pyridylmethyleneamino)butenedinitrile","","- C10 H7 N5 -","- C10 H7 N5 -","- C40 H28 N20 -","4","1","LH2143","Wu, Jun-Sen; Xu, Hong-Kun; Shi, Jing-Min","2-Amino-3-(4-pyridylmethyleneamino)butenedinitrile","Acta Crystallographica Section E","2006","62","8","o3490","o3491","10.1107/S160053680602808X","","","0.71073","MoKα","","0.0433","0.0378","","","0.0956","0.0989","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210021","8.007","0.005","28.561","0.016","5.266","0.003","90","","90","","90","","1204.3","1.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3-dihydro-1H-indole-2,3-dione 3-isonicotinoylhydrazone","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","XU2048","Rong Li; Bao-Lin Liu; Xiao-Zeng Li; Chang-Qing Li","2,3-Dihydro-1<i>H</i>-indole-2,3-dione 3-isonicotinoylhydrazone","Acta Crystallographica Section E","2006","62","8","o3149","o3150","10.1107/S160053680602441X","","","0.71073","MoKα","","0.029","0.026","","","0.071","0.073","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210053","22.812","0.003","15.958","0.002","8.7549","0.0012","90","","90","","90","","3187.1","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H32 Cu N6 O4 -","- C35 H32 Cu N6 O4 -","- C140 H128 Cu4 N24 O16 -","4","1","AT2071","Xilan Hu; Xingyou Xu; Tongtao Xu; Daqi Wang","Bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) 2-methyl-3,4,5,6-tetrahydropyrimidine solvate","Acta Crystallographica Section E","2006","62","9","m2221","m2223","10.1107/S160053680602976X","","","0.71073","MoKα","","0.0813","0.0429","","","0.087","0.1041","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210101","19.1786","0.0002","10.5448","0.0001","32.9569","0.0004","90","","90","","90","","6665.02","0.12","200","","200","","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis(triphenylphosphoranylidene)ammonium docosacarbonyl(μ~8~-phosphido)octaruthenate chloroform solvate","","- C59 H31 Cl3 N O22 P3 Ru8 -","- C59 H31 Cl3 N O22 P3 Ru8 -","- C236 H124 Cl12 N4 O88 P12 Ru32 -","4","1","BM2003","Michael D. Randles; Anthony C. Willis; Marie P. Cifuentes; Mark G. Humphrey","Bis(triphenylphosphoranylidene)ammonium docosacarbonyl(μ~8~-phosphido)octaruthenate chloroform solvate","Acta Crystallographica Section E","2006","62","9","m2350","m2351","10.1107/S1600536806034052","","","0.71073","MoKα","","0.0445","0.0237","","0.0362","0.0233","0.0233","","","","","","1.11","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210133","7.0503","0.0003","10.9102","0.0005","15.0341","0.0006","90","","90","","90","","1156.43","0.09","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","AgBZT","Poly[aqua-μ-1H-1,2,3-benzotriazole-μ-nitrato-nitratodisilver(I)]","","- C6 H5 Ag2 N5 O7 -","- C6 H5 Ag2 N5 O7 -","- C24 H20 Ag8 N20 O28 -","4","1","BV2028","Whitcomb, David R.; Rajeswaran, Manju","Poly[aqua-μ-1<i>H</i>-1,2,3-benzotriazole-μ-nitrato-nitratodisilver(I)]","Acta Crystallographica Section E","2006","62","9","m2133","m2135","10.1107/S1600536806030686","","","0.71073","MoKα","","0.0732","0.0374","","","0.0668","0.078","","","","","","0.972","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210210","21.6041","0.0008","9.1708","0.0003","12.1753","0.0004","90","","90","","90","","2412.25","0.14","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(1-n-butyl-3-methylimidazolium) tetrabromopalladate(II)","","- C16 H30 Br4 N4 Pd -","- C16 H30 Br4 N4 Pd -","- C64 H120 Br16 N16 Pd4 -","4","1","EZ2020","Chong-Min Zhong; Ya-Jie Zuo; Hua-Shu Jin; Tian-Chi Wang; Shuang-Quan Liu","Bis(1-<i>n</i>-butyl-3-methylimidazolium) tetrabromopalladate(II)","Acta Crystallographica Section E","2006","62","9","m2281","m2283","10.1107/S160053680603296X","","","0.71073","MoKα","","0.041","0.026","","","0.049","0.053","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210230","14.1028","0.0015","14.4948","0.0016","8.6701","0.001","90","","90","","90","","1772.3","0.3","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl 5-(2-hydr­oxyethyl­carbamo­yl)-2,6-dimethyl-4-(3-nitrophen­yl)-1,4-dihydropyridine-3-carboxylate","","- C18 H21 N3 O6 -","- C18 H21 N3 O6 -","- C72 H84 N12 O24 -","4","1","FL2048","Sun, Feng-Xia; Ha, Jing; Fu, De-Cai; Yu, Yi-Feng","Methyl 5-[<i>N</i>-(2-hydroxyethyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","Acta Crystallographica Section E","2006","62","9","o4112","o4114","10.1107/S160053680603337X","","","0.7107","MoKα","","0.0413","0.0381","","","0.0995","0.1017","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210240","10.5199","0.0011","17.0195","0.0013","4.2415","0.0008","90","","90","","90","","759.41","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","HB2058","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","<i>N</i>-(3-Hydroxyphenyl)acetamide","Acta Crystallographica Section E","2006","62","9","o3627","o3628","10.1107/S1600536806025785","","","0.71073","MoKα","","0.0468","0.0323","","","0.0865","0.0929","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210248","10.031","0.002","8.7863","0.0018","10.07","0.002","90","","90","","90","","887.5","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl N-cyclohexylcarbamate","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C32 H60 N4 O8 -","4","1","HB2112","Chen, Ying; Zhang, Haitao; Zhou, Lina","Methyl <i>N</i>-cyclohexylcarbamate","Acta Crystallographica Section E","2006","62","9","o3757","o3758","10.1107/S1600536806030820","","","0.71073","MoKα","","0.0445","0.0376","","","0.101","0.1052","","","","","","1.159","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210259","5.9486","0.0008","24.227","0.003","4.9042","0.0006","90","","90","","90","","706.78","0.16","292","2","292","2","","","","","","","","5","P n a 21","P 2c -2n","33","","poly[μ-2-aminobenzoato-silver(I)]","","- C7 H6 Ag N O2 -","- C7 H6 Ag N O2 -","- C28 H24 Ag4 N4 O8 -","4","1","HB2130","Hu, Ren-Zhi; Cheng, Kui; Ai, Li","An orthorhombic polymorph of poly[μ-2-aminobenzoato-silver(I)]","Acta Crystallographica Section E","2006","62","9","m2386","m2388","10.1107/S160053680603409X","","","0.71073","MoKα","","0.0449","0.0434","","","0.1092","0.1103","","","","","","1.099","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210284","9.1922","0.0005","9.1265","0.0005","14.106","0.0007","90","","90","","90","","1183.39","0.11","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[(2,2'-bipyridine-κ^2^N,N')zinc(II)]-μ-oxalato]","","- C12 H8 N2 O4 Zn -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","1","HK2098","Lin, Xin-Rong; Ye, Bao-Zhong; Liu, Jian-Sheng; Wei, Chun-Xia; Chen, Jian-Xin","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-oxalato]","Acta Crystallographica Section E","2006","62","9","m2130","m2132","10.1107/S1600536806030893","","","0.71073","MoKα","","0.0631","0.0227","","","0.0181","0.0207","","","","","","0.974","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210293","24.61","0.005","16.166","0.003","8.959","0.0017","90","","90","","90","","3564.3","1.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-trizine-κ^2^N,N']manganese(II) monohydrate","","- C40 H30 Cl2 Mn N8 O -","- C40 H30 Cl2 Mn N8 O -","- C160 H120 Cl8 Mn4 N32 O4 -","4","1","HK2107","Eltayeb, Naser Eltaher; Guan, Teoh Siang; Yamin, Bohari M.","Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ^2^<i>N</i>,<i>N</i>']manganese(II) monohydrate","Acta Crystallographica Section E","2006","62","9","m2284","m2286","10.1107/S1600536806032934","","","0.71073","MoKα","","0.047","0.036","","","0.079","0.083","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210342","13.7254","0.0011","11.0183","0.0009","6.6998","0.0005","90","","90","","90","","1013.21","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[trimethyltin(IV)-μ-4-methyl-4H-1,2,4-triazole-3-thiolato- κ^2^S:N^1^]","","- C6 H13 N3 S Sn -","- C6 H13 N3 S Sn -","- C24 H52 N12 S4 Sn4 -","4","1","NG2066","Aziz-ur-Rehman; Ali, Saqib; Shahzadi, Saira; Helliwell, Madeleine","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-4-methyl-4<i>H</i>-1,2,4-triazole-3-thiolato-κ^2^<i>S</i>:<i>N</i>^1^]","Acta Crystallographica Section E","2006","62","9","m2328","m2329","10.1107/S1600536806033654","","","0.71073","MoKα","","0.0169","0.0166","","","0.0413","0.0415","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210355","38.97","0.019","14.804","0.007","18.441","0.009","90","","90","","90","","10639","9","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Tris(1,4-dimethylpyridinium) aquaheptakis(dimethylformamide-κO)lanthanum(III) diphosphatooctadecatungste dimethylformamide disolvate","","- C48 H95 La N12 O72 P2 W18 -","- C48 H95 La N12 O72 P2 W18 -","- C192 H380 La4 N48 O288 P8 W72 -","4","1","OB2046","Xue-Jie Tan; Si-Xiu Sun; Dian-Xiang Xing","Tris(1,4-dimethylpyridinium) aquaheptakis(dimethylformamide-κ<i>O</i>)lanthanum(III) diphosphatooctadecatungsten dimethylformamide disolvate","Acta Crystallographica Section E","2006","62","9","m2252","m2254","10.1107/S1600536806032351","","","0.71073","MoKα","","0.1294","0.1057","","","0.2396","0.2619","","","","","","0.999","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210398","8.199","0.002","14.468","0.003","13.245","0.003","90","","90","","90","","1571.2","0.6","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Styryl(2-hydroxy-3-iodo-4,6-dimethoxyphenyl)ketone","","- C17 H15 I O4 -","- C17 H15 I O4 -","- C68 H60 I4 O16 -","4","1","WK2020","Gao, Shan; Ng, Seik Weng","1-(2-Hydroxy-3-iodo-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3610","o3611","10.1107/S1600536806028984","","","0.71073","MoKα","","0.0295","0.027","","","0.066","0.067","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210438","33.31","0.02","8.84","0.006","5.749","0.004","90","","90","","90","","1692.9","1.9","290","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole","","- C21 H16 F N O2 -","- C21 H16 F N O2 -","- C84 H64 F4 N4 O8 -","4","1","XU2093","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B","5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole","Acta Crystallographica Section E","2006","62","9","o3819","o3820","10.1107/S1600536806030807","","","0.71073","MoKα","","0.109","0.081","","","0.186","0.207","","","","","","1.321","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210443","12.019","0.002","15.45","0.003","8.8057","0.0016","90","","90","","90","","1635.2","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H20 Cl2 Cu N6 O4 -","- C9 H20 Cl2 Cu N6 O4 -","- C36 H80 Cl8 Cu4 N24 O16 -","4","1","XU2101","Jian Gao; Tongtao Xu; Daqi Wang","[<i>N</i>-(2-Aminoethyl)-<i>N</i>-(3-aminopropyl)amine](2-aminopyrimidine)chlorocopper(II) perchlorate","Acta Crystallographica Section E","2006","62","9","m2189","m2190","10.1107/S1600536806031709","","","0.71073","MoKα","","0.071","0.063","","","0.144","0.148","","","","","","1.159","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210565","9.534","0.003","9.97","0.002","13.783","0.003","90","","90","","90","","1310.1","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-bromosalicylaldehyde benzoylhydrazone","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C56 H44 Br4 N8 O8 -","4","1","CV2118","Hui-Yan Liu; Hai-Ying Wang; Feng Gao; Zai-Sheng Lu; De-Zhong Niu","5-Bromosalicylaldehyde benzoylhydrazone","Acta Crystallographica Section E","2006","62","10","o4495","o4496","10.1107/S160053680603683X","","","0.71073","MoKα","","0.0455","0.0306","","","0.0616","0.0668","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210604","12.7934","0.0002","5.931","0.0001","18.4255","0.0003","90","","90","","90","","1398.08","0.04","100","0.1","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,4-Diazoniabicyclo[2.2.2]octanium 2,4-dinitrobenzoate","1,4-Diazoniabicyclo[2.2.2]octanium 2,4-dinitrobenzoate","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","1","FL2057","Mohd Mustaqim Rosli; Hoong-Kun Fun; Beck Sim Lee; Suchada Chantrapromma","4-Aza-1-azoniabicyclo[2.2.2]octane 2,4-dinitrobenzoate","Acta Crystallographica Section E","2006","62","10","o4575","o4577","10.1107/S1600536806037585","","","0.71073","MoKα","","0.0289","0.0277","","","0.0726","0.0735","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210631","20.272","0.003","16.568","0.003","12.348","0.002","90","","90","","90","","4147.3","1.2","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(E)-1-[3-Methoxy-4-(p-tolylsulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine","","- C21 H19 N3 O6 S -","- C21 H19 N3 O6 S -","- C168 H152 N24 O48 S8 -","8","2","HB2141","Chen, Xin; Yu, Ming","(<i>E</i>)-1-[3-Methoxy-4-(<i>p</i>-tolylsulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine","Acta Crystallographica Section E","2006","62","10","o4535","o4536","10.1107/S1600536806037470","","","0.71073","MoKα","","0.1736","0.0509","","","0.0693","0.0857","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210731","23.383","0.003","9.082","0.002","10.929","0.002","90","","90","","90","","2320.9","0.7","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[[(4-aminobenzoato-κN)aqua(2,2'-diamino-4,4'-bithiazole-κ^2^N,N')- nickel(II)]-μ-4-aminobenzoato-κ^2^N:O] monohydrate]","","- C20 H22 N6 Ni O6 S2 -","- C20 H22 N6 Ni O6 S2 -","- C80 H88 N24 Ni4 O24 S8 -","4","1","NG2101","Bing-Xin Liu; Duan-Jun Xu","<i>catena</i>-Poly[[[(4-aminobenzoato-κ<i>N</i>)aqua(2,2'-diamino-4,4'-bithiazole-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-4-aminobenzoato-κ^2^<i>N</i>:<i>O</i>] monohydrate]","Acta Crystallographica Section E","2006","62","10","m2670","m2672","10.1107/S1600536806037925","","","0.71073","MoKα","","0.129","0.059","","","0.152","0.217","","","","","","1.147","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210757","8.1158","0.0008","27.3737","0.0018","5.6775","0.0004","90","","90","","90","","1261.31","0.17","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","3-(4-bromoanilino)phthalide","3-(4-bromoanilino)isobenzofuran-1(3H)-one","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","OM2041","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(4-Bromoanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4366","o4367","10.1107/S160053680603563X","","","0.71073","MoKα","","0.0756","0.0352","","","0.0686","0.0794","","","","","","0.917","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210852","14.259","0.003","14.935","0.003","8.7829","0.0015","90","","90","","90","","1870.4","0.6","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 5-(2-hydroxyethylcarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","AC2055","Sun, Feng-Xia; Yu, Yi-Feng","Ethyl 5-(2-hydroxyethylcarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","Acta Crystallographica Section E","2006","62","11","o5167","o5168","10.1107/S1600536806043170","","","0.7107","MoKα","","0.0427","0.0396","","","0.1004","0.1029","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210888","43.007","0.003","5.9744","0.0004","5.1137","0.0003","90","","90","","90","","1313.92","0.15","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2E)-1-(4-Bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C15 H10 Br N O3 -","- C15 H10 Br N O3 -","- C60 H40 Br4 N4 O12 -","4","1","BM2006","Harrison, William T. A.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V.; Sunil, K.","(2<i>E</i>)-1-(4-Bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o4829","o4831","10.1107/S1600536806039900","","","0.71073","MoKα","","0.0373","0.027","","","0.0543","0.0578","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210978","10.0259","0.0008","13.2126","0.001","12.1805","0.001","90","","90","","90","","1613.5","0.2","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N,N-Di-n-butyl-N'-pivaloylthiourea","","- C14 H28 N2 O S -","- C14 H28 N2 O S -","- C56 H112 N8 O4 S4 -","4","1","EZ2037","Dillen, Jan; Woldu, Mengistu Ghebreysus; Koch, Klaus R.","<i>N</i>,<i>N</i>-Di-<i>n</i>-butyl-<i>N</i>'-pivaloylthiourea","Acta Crystallographica Section E","2006","62","11","o4819","o4820","10.1107/S1600536806039614","","","0.71073","MoKα","","0.044","0.041","","","0.094","0.095","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211200","15.8491","0.0018","9.4801","0.0011","34.707","0.004","90","","90","","90","","5214.8","1","292","2","292","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Diethyl 5,10-dihydro-6-phenylethynyl-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,10<i>a</i>,11<i>a</i>-tetraazabenz[<i>f</i>]indeno[2,1,7-ija]azulene-\ 11b,11c-dicarboxylate","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C224 H208 N32 O56 -","8","2","SJ2132","Yun-Feng Chen; Yan-Fang Cui","Diethyl 5,10-dihydro-6-phenylethynyl-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","11","o4872","o4873","10.1107/S1600536806040256","","","0.71073","MoKα","","0.0753","0.0487","","","0.1271","0.1462","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211289","13.971","0.004","14.28","0.004","5.553","0.002","90","","90","","90","","1107.9","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","N-(4-bromo-2-hydroxybenzyl)alanine","3-(5-Bromo-2-hydroxybenzylammonio)propanoate","","- C10 H12 Br N O3 -","- C10 H12 Br N O3 -","- C40 H48 Br4 N4 O12 -","4","1","BI2086","Yin, Xiu-Ju; Cai, Jin-Hua; Ng, Seik Weng","3-(5-Bromo-2-hydroxybenzylammonio)propanoate","Acta Crystallographica Section E","2006","62","12","o5409","o5410","10.1107/S1600536806045636","","","0.71073","MoKα","","0.046","0.035","","","0.08","0.082","","","","","","0.92","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211493","15.51663","0.00018","31.9596","0.0007","13.2306","0.0002","90","","90","","90","","6561.12","0.19","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","Aluminiumacetylacetonat","γ-Tris(2,4-pentanedionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C240 H336 Al16 O96 -","16","4","KP2065","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","γ-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 110 K","Acta Crystallographica Section E","2006","62","12","m3318","m3320","10.1107/S1600536806047106","","","0.71073","MoKα","","0.0413","0.0313","","","0.0715","0.0759","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211504","13.7042","0.0004","17.165","0.0005","7.7369","0.0002","90","","90","","90","","1819.97","0.09","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","14-(4-Fluorophenyl)-9H-dibenzo[a,j]xanthene","","- C27 H17 F O -","- C27 H17 F O -","- C108 H68 F4 O4 -","4","1","LH2229","Seethalakshmi, T.; Linden, Anthony; Sunil Kumar, B.; Hunnur, R. K.; Kaliannan, P.","14-(4-Fluorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","Acta Crystallographica Section E","2006","62","12","o5417","o5418","10.1107/S1600536806045053","","","0.71073","MoKα","","0.0637","0.045","","","0.0906","0.0991","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211718","7.8287","0.0008","7.8026","0.0008","30.6427","0.0018","90","","90","","90","","1871.8","0.3","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(4S)-4-Benzyl-4-hydroxyisoxazolidin-3-one","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C80 H88 N8 O24 -","8","2","BH2062","Gao, Hao; Sun, Yun","(4<i>SR</i>)-4-Benzyl-4-hydroxyisoxazolidin-3-one","Acta Crystallographica Section E","2007","63","1","o146","o147","10.1107/S1600536806051816","","","0.71073","MoKα","","0.0441","0.0425","","","0.1046","0.1059","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211776","13.861","0.002","9.793","0.003","13.372","0.002","90","","90","","90","","1815.1","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakis(1H-imidazole-κN^3^)nickel(II) dinitrate","","- C12 H16 N10 Ni O6 -","- C12 H16 N10 Ni O6 -","- C48 H64 N40 Ni4 O24 -","4","1","CI2252","Zuo-Mao Wang","Tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dinitrate","Acta Crystallographica Section E","2007","63","1","m207","m209","10.1107/S160053680605361X","","","0.71073","MoKα","","0.0752","0.0396","","","0.09","0.106","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211785","19.361","0.0003","12.5103","0.0002","17.7128","0.0002","90","","90","","90","","4290.25","0.11","100","0.1","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-Bis(2-hydroxy-1-naphthaldimine)-o-phenylenediamine methanol hemisolvate","","- C28.5 H22 N2 O2.5 -","- C28.5 H22 N2 O2.5 -","- C228 H176 N16 O20 -","8","2","CV2159","Naser Eltaher Eltayeb; Siang Guan Teoh; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Kamarulazizi Ibrahim","1-{2-[(2-Hydroxy-1-naphthyl)methyleneamino]phenyliminiomethyl}-2-naphtholate methanol hemisolvate","Acta Crystallographica Section E","2007","63","1","o117","o119","10.1107/S1600536806050707","","","0.71073","MoKα","","0.0536","0.0438","","","0.1018","0.1075","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211786","22.112","0.005","5.7505","0.0012","16.555","0.004","90","","90","","90","","2105.1","0.8","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C104 H100 N4 O12 -","4","1","CV2160","Zhi-Fang Yu; Juan Li; Jian-Wei Sun; Liang Yu","Ethyl 4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate","Acta Crystallographica Section E","2007","63","1","o17","o18","10.1107/S1600536806050744","","","0.71073","MoKα","","0.0744","0.036","","","0.0803","0.0955","","","","","","1.002","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211857","10.572","0.002","9.789","0.002","16.009","0.003","90","","90","","90","","1656.8","0.6","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Benzyldiphenylphosphine selenide","","- C19 H17 P Se -","- C19 H17 P Se -","- C76 H68 P4 Se4 -","4","1","HK2174","Muller, Alfred","Benzyldiphenylphosphine selenide","Acta Crystallographica Section E","2007","63","1","o317","o318","10.1107/S1600536806053190","","","0.71073","MoKα","","","0.03","","","","0.0629","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211942","10.1774","0.0002","31.8924","0.0006","3.9078","0.0001","90","","90","","90","","1268.4","0.05","100","0.1","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(5-Bromo-2-thienyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C14 H11 Br O2 S -","- C14 H11 Br O2 S -","- C56 H44 Br4 O8 S4 -","4","1","SJ2182","P. S. Patil; Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash","3-(5-Bromo-2-thienyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","1","o59","o60","10.1107/S1600536806050641","","","0.71073","MoKα","","0.0447","0.0349","","","0.0889","0.0985","","","","","","1.105","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212020","18.3264","0.0005","16.3163","0.0004","10.9066","0.0002","90","","90","","90","","3261.28","0.13","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Methanol{tris[2-(2-pyridylmethyleneamino)ethyl]amino-κ^7^N}calcium(II) bis(perchlorate) methanol solvate","","- C26 H35 Ca Cl2 N7 O10 -","- C26 H35 Ca Cl2 N7 O10 -","- C104 H140 Ca4 Cl8 N28 O40 -","4","1","BI2110","He, Hong-Shan","Methanol{tris[2-(2-pyridylmethyleneamino)ethyl]amino-κ^7^<i>N</i>}calcium(II) bis(perchlorate) methanol solvate","Acta Crystallographica Section E","2007","63","2","m521","m522","10.1107/S1600536807001626","","","0.71073","MoKα","","0.0602","0.054","","","0.1425","0.149","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212073","16.029","0.013","8.709","0.007","29.04","0.02","90","","90","","90","","4054","5","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1-Naphthyl)isoindoline-1,3-dione","","- C18 H11 N O2 -","- C18 H11 N O2 -","- C216 H132 N12 O24 -","12","3","BV2044","Li, Jian; Liang, Zu-Pei; Sun, Xiao-Zheng","2-(1-Naphthyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2007","63","2","o1003","o1004","10.1107/S1600536807003741","","","0.71073","MoKα","","0.1324","0.0587","","","0.1465","0.1846","","","","","","1.151","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212108","16.0627","0.0002","8.0482","0.0001","24.0821","0.0003","90","","90","","90","","3113.23","0.07","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","2a,8a-Dichloro-1-(2-ethynylphenyl)-2a,8a-dihydrocyclobuta[b]naphthalene- 3,8-dione","","- C20 H10 Cl2 O2 -","- C20 H10 Cl2 O2 -","- C160 H80 Cl16 O16 -","8","2","CI2281","Hui-Ying An; Jian-Hua Xu; Shea-Lin Ng; Hoong-Kun Fun","2a,8a-Dichloro-1-(2-ethynylphenyl)-2a,8a-dihydrocyclobuta[<i>b</i>]naphthalene-3,8-dione","Acta Crystallographica Section E","2007","63","2","o948","o950","10.1107/S160053680700342X","","","0.71073","MoKα","","0.0363","0.0323","","","0.0831","0.0856","","","","","","1.043","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212154","10.5485","0.0005","6.6177","0.0003","10.3714","0.0005","90","","90","","90","","723.99","0.06","180","2","180","2","","","","","","","","3","P n a 21","P 2c -2n","33","orthorhombic myo-inositol","myo-inositol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","FL2082","Khan, Uzma; Qureshi, Rizwana A.; Saeed, Sadaf; Bond, Andrew D.","An orthorhombic polymorph of <i>myo</i>-inositol","Acta Crystallographica Section E","2007","63","2","o530","o532","10.1107/S1600536806056339","","","0.71073","MoKα","","0.0319","0.0227","","","0.0469","0.0483","","","","","","0.99","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212174","40.462","0.012","4.7732","0.0014","11.719","0.004","90","","90","","90","","2263.3","1.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4,5-bis(phthalimidomethyl)acridine","N,N'-(acridine-4,5-diyldimethylene)bisphthalimide","","- C31 H19 N3 O4 -","- C31 H19 N3 O4 -","- C124 H76 N12 O16 -","4","1","GK2051","Tapper, Sophia; Fry, Fiona H.; Simpson, Stephen J.; Tucker, James H.R.","4,5-Bis(phthalimidomethyl)acridine","Acta Crystallographica Section E","2007","63","2","o719","o720","10.1107/S1600536807001602","","","0.6905","synchrotron","","0.0455","0.0422","","","0.1074","0.1097","","","","","","1.112","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212184","12.181","0.003","6.0387","0.0016","14.606","0.004","90","","90","","90","","1074.4","0.5","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol","","- C10 H20 O5 -","- C10 H20 O5 -","- C40 H80 O20 -","4","1","HB2246","Hua, Chao; Li, Xin-Gang; Xu, Shi-Min","2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol","Acta Crystallographica Section E","2007","63","2","o547","o548","10.1107/S1600536806055450","","","0.71073","MoKα","","0.0305","0.0274","","","0.0666","0.0687","","","","","","1.12","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212254","7.7131","0.0003","19.664","0.0008","12.9518","0.0004","90","","90","","90","","1964.4","0.13","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","cis-1-(4-Bromophenyl)-6-ethyl-5-tosylperhydropyrrolo[3,4-b]pyrrole","","- C21 H25 Br N2 O2 S -","- C21 H25 Br N2 O2 S -","- C84 H100 Br4 N8 O8 S4 -","4","1","IS2137","K. Chinnakali; M. Poornachandran; R. Raghunathan; Hoong-Kun Fun","<i>cis</i>-1-(4-Bromophenyl)-6-ethyl-5-tosylperhydropyrrolo[3,4-<i>b</i>]pyrrole","Acta Crystallographica Section E","2007","63","2","o650","o651","10.1107/S1600536807000645","","","0.71073","MoKα","","0.082","0.0567","","","0.1329","0.1468","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212412","16.81","0.003","5.0834","0.0009","21.274","0.004","90","","90","","90","","1817.9","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ethyl 2-({5-[2-(benzoylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate","","- C19 H17 N3 O4 S -","- C19 H17 N3 O4 S -","- C76 H68 N12 O16 S4 -","4","1","WW2075","Iqbal, Rashid; Aziz, Saeeda; Ahmed, Muhammad Naeem; Qadeer, Ghulam; Wong, Wai-Yeung","Ethyl 2-({5-[2-(benzoylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate","Acta Crystallographica Section E","2007","63","2","o1021","o1022","10.1107/S1600536807004011","","","0.71073","MoKα","","0.0492","0.0445","","","0.1204","0.1246","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212552","10.1889","0.0016","8.0102","0.0011","14.8722","0.0017","90","","90","","90","","1213.8","0.3","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(4-aminophenyl)-2-(4-nitrophenyl)ethanone","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","GG3072","Li, Zong-Sheng; Chai, Jian-She","1-(4-Aminophenyl)-2-(4-nitrophenyl)ethanone","Acta Crystallographica Section E","2007","63","3","o1082","o1083","10.1107/S1600536807004369","","","0.71073","MoKα","","0.0625","0.0415","","","0.0926","0.0981","","","","","","0.911","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212703","30.205","0.007","10.824","0.003","7.2092","0.0016","90","","90","","90","","2357","1","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[dichloridodimethyltin(IV)]-μ-5-methylpyrazine-2-carboxylato- κ^3^O:O',N-[dimethyltin(IV)]]-μ-5-methylpyrazine-2-carboxylato-κ^3^O,N:O']","","- C16 H22 Cl2 N4 O4 Sn2 -","- C16 H22 Cl2 N4 O4 Sn2 -","- C64 H88 Cl8 N16 O16 Sn8 -","4","1","SJ2225","Jun-Ying Li; Tian-Duo Li","<i>catena</i>-Poly[[dichloridodimethyltin(IV)]-μ-5-methylpyrazine-2-carboxylato-κ^3^<i>O</i>:<i>O</i>',<i>N</i>-[dimethyltin(IV)]]-μ-5-methylpyrazine-2-carboxylato-κ^3^<i>O</i>,<i>N</i>:<i>O</i>']","Acta Crystallographica Section E","2007","63","3","m847","m849","10.1107/S1600536807007866","","","0.71073","MoKα","","0.053","0.0448","","","0.1079","0.1146","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212791","11.7548","0.0011","14.4443","0.0014","20.946","0.002","90","","90","","90","","3556.4","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-(2,4-Dichlorophenyl)-5-(N,N-diethylcarbamoyl)-6-methyl-3,4-dihydropyrimidine- 2(1H)-thione","","- C16 H19 Cl2 N3 O S -","- C16 H19 Cl2 N3 O S -","- C128 H152 Cl16 N24 O8 S8 -","8","2","BT2288","B. Sridhar; K. Ravikumar; Y. S. Sadanandam","4-(2,4-Dichlorophenyl)-5-(<i>N</i>,<i>N</i>-diethylcarbamoyl)-6-methyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2007","63","4","o1772","o1773","10.1107/S1600536807011440","","","0.71073","MoKα","","0.0362","0.0337","","","0.0836","0.0854","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212893","12.0395","0.0017","22.298","0.003","7.6686","0.0011","90","","90","","90","","2058.7","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,5-bis[4-(dimethylamino)benzylidene]-1-methyl-4-piperidone","","- C24 H29 N3 O -","- C24 H29 N3 O -","- C96 H116 N12 O4 -","4","1","HB2316","Vladimir N. Nesterov; Sergey S. Sarkisov; Michael J. Curley; Augustine Urbas","An orthorhombic polymorph of 3,5-bis[4-(dimethylamino)benzylidene]-1-methyl-4-piperidone","Acta Crystallographica Section E","2007","63","4","o1785","o1787","10.1107/S1600536807011270","","","0.71073","MoKα","","0.1365","0.0518","","","0.0888","0.1116","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212930","10.361","0.003","8.321","0.003","28.349","0.009","90","","90","","90","","2444.1","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis[3-(1H-imidazol-1-yl-κN^3)-1-phenylpropan-1-one]silver(I) nitrate monohydrate","","- C24 H26 Ag N5 O6 -","- C24 H26 Ag N5 O6 -","- C96 H104 Ag4 N20 O24 -","4","1","HY2042","Cai, Hua; Guo, Ying; Li, Yan","Bis[3-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)-1-phenylpropan-1-one]silver(I) nitrate monohydrate","Acta Crystallographica Section E","2007","63","4","m999","m1000","10.1107/S1600536807010008","","","0.71073","MoKα","","0.0779","0.0422","","","0.0978","0.1172","","","","","","0.979","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213150","9.342","0.006","15.701","0.009","14.822","0.009","90","","90","","90","","2174","2","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Aquadithiocyanato(2,4,6-tri-2-pyridyl-1,3,5-triazine)cobalt(II)","","- C20 H14 Co N8 O S2 -","- C20 H14 Co N8 O S2 -","- C80 H56 Co4 N32 O4 S8 -","4","1","BR2034","Sun, Xiu-Ping; Gu, Wen; Liu, Xin","Aquadithiocyanato(2,4,6-tri-2-pyridyl-1,3,5-triazine)cobalt(II)","Acta Crystallographica Section E","2007","63","5","m1339","m1340","10.1107/S1600536807013335","","","0.71073","MoKα","","0.1369","0.0497","","","0.1016","0.1438","","","","","","1.069","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213210","7.9894","0.0002","18.8355","0.0005","12.9451","0.0004","90","","90","","90","","1948.03","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","cis-1-(4-Bromophenyl)-6-ethyl-5-(phenylsulfonyl)perhydropyrrolo[3,4-b]pyrrole","","- C20 H23 Br N2 O2 S -","- C20 H23 Br N2 O2 S -","- C80 H92 Br4 N8 O8 S4 -","4","1","CI2326","S. Nirmala; K. Palani; L. Sudha; M. Poornachandran; R. Raghunathan","<i>cis</i>-1-(4-Bromophenyl)-6-ethyl-5-(phenylsulfonyl)perhydropyrrolo[3,4-<i>b</i>]pyrrole","Acta Crystallographica Section E","2007","63","5","o2254","o2255","10.1107/S1600536807014961","","","0.71073","MoKα","","0.057","0.0354","","","0.0805","0.0881","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213257","9.567","0.001","24.116","0.005","3.9552","0.0006","90","","90","","90","","912.5","0.3","299","2","299","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(3,5-Dichlorophenyl)acetamide","","- C8 H7 Cl2 N O -","- C8 H7 Cl2 N O -","- C32 H28 Cl8 N4 O4 -","4","1","CV2214","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(3,5-Dichlorophenyl)acetamide","Acta Crystallographica Section E","2007","63","5","o2341","o2342","10.1107/S1600536807015280","","","1.5418","CuKα","","0.1305","0.0551","","","0.1229","0.1521","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213276","19.525","0.002","7.939","0.0009","11.2702","0.0012","90","","90","","90","","1747","0.3","297","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[(4RS,7SR)-1-(1H-Benzimidazol-2-ylmethyl-κN^3^)-1,4,7-triazacyclononane- κ^3^N]bromidocopper(II) bromide","","- C14 H21 Br2 Cu N5 -","- C14 H21 Br2 Cu N5 -","- C56 H84 Br8 Cu4 N20 -","4","1","DN2154","Li, Qing-Xiang; Bing-Zhong He; Jun-Yun Shen; Hai-Yan Xiao","[(4<i>RS</i>,7<i>SR</i>)-1-(1<i>H</i>-Benzimidazol-2-ylmethyl-κ<i>N</i>^3^)-1,4,7-triazacyclononane-κ^3^<i>N</i>]bromidocopper(II) bromide","Acta Crystallographica Section E","2007","63","5","m1482","m1483","10.1107/S1600536807019137","","","0.71073","Mokα","","0.0431","0.0348","","","0.0763","0.0797","","","","","","1.003","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213543","11.6788","0.0004","20.0635","0.0007","10.4288","0.0004","90","","90","","90","","2443.65","0.15","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tri-tert-butyl 3,3',3""-(aminomethanetriyl)tripropanoate","","- C22 H41 N O6 -","- C22 H41 N O6 -","- C88 H164 N4 O24 -","4","1","SI2006","Weber, Edwin; Langer, Joachim; Seichter, Wilhelm","Tri-<i>tert</i>-butyl 3,3',3''-(aminomethanetriyl)tripropanoate","Acta Crystallographica Section E","2007","63","5","o2064","o2065","10.1107/S1600536807012615","","","0.71073","MoKα","","0.0404","0.0339","","","0.0917","0.1112","","","","","","1.119","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213546","15.4391","0.0006","5.9873","0.0002","19.5007","0.0007","90","","90","","90","","1802.62","0.11","110","2","","","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(2-thienyl)-1,3-bis(2-thienylmethyl)perhydropyrimidine","","- C18 H20 N2 S3 -","- C18 H20 N2 S3 -","- C72 H80 N8 S12 -","4","1","SI2010","Jaganyi, Deogratius; Mambanda, Allen; Munro, Orde Q.","A tripodal tris(thiophene) derivative of hexahydropyrimidine and its ladder-like extended structure","Acta Crystallographica Section E","2007","63","5","o2388","o2390","10.1107/S1600536807016017","","","0.71073","MoKα","","","0.0289","","","","0.0821","","","","","","1.119","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213579","8.705","0.001","16.231","0.001","8.514","0.002","90","","90","","90","","1203","0.3","198","2","198","2","","","","","","","","3","P n a 21","P 2c -2n","33","1,3,5-Tricyclopropyl-1,3,5-triazinane","1,3,5-tricyclopropyl-1,3,5-triazinane","","- C12 H21 N3 -","- C12 H21 N3 -","- C48 H84 N12 -","4","1","SK3113","Poethig, Alexander; Ahrens, Sebastian; Strassner, Thomas","1,3,5-Tricyclopropyl-1,3,5-triazinane","Acta Crystallographica Section E","2007","63","5","o2398","o2399","10.1107/S1600536807015498","","","0.71073","MoKα","","0.0402","0.032","","","0.0739","0.0782","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213640","7.797","0.002","17.456","0.004","13.5","0.003","90","","90","","90","","1837.4","0.8","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>'-[4-(4-Chlorobenzyloxy)-3-methoxybenzylidene]furan-2-\ carbohydrazide","","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C80 H68 Cl4 N8 O16 -","4","1","AT2139","Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming","(<i>E</i>)-<i>N</i>'-[4-(4-Chlorobenzyloxy)-3-methoxybenzylidene]furan-2-carbohydrazide","Acta Crystallographica Section E","2007","63","6","o2952","o2953","10.1107/S1600536806043807","","","0.71073","MoKα","","0.1008","0.0459","","","0.0939","0.1166","","","","","","0.983","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2213696","10.349","0.0008","16.2487","0.0012","11.8556","0.0009","90","","90","","90","","1993.6","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Pyridine-2,6-dicarbaldehyde bis(benzylidenehydrazone) monohydrate","","- C21 H19 N5 O3 -","- C21 H19 N5 O3 -","- C84 H76 N20 O12 -","4","1","BT2363","Cui-Xia Cheng; Hao-Wen Liu; Fei-Hua Luo; Min-Na Cao; Zong-Qiu Hu","Pyridine-2,6-dicarbaldehyde bis(benzylidenehydrazone) monohydrate","Acta Crystallographica Section E","2007","63","6","o2899","o2899","10.1107/S1600536807022635","","","0.71073","MoKα","","0.0688","0.048","","","0.0982","0.1077","","","","","","0.975","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213927","9.8124","0.0009","8.3298","0.0008","26.16","0.003","90","","90","","90","","2138.2","0.4","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","Compound I","diisopropyl (diisopropoxyphosphorylmethylsulfonylmethyl)phosphonate","","- C14 H32 O8 P2 S -","- C14 H32 O8 P2 S -","- C56 H128 O32 P8 S4 -","4","1","PK2025","Wong, Jessica H.; Olmstead, Marilyn M.; Gervay-Hague, Jacquelyn","A diisopropoxyphosphonate monosulfone","Acta Crystallographica Section E","2007","63","6","o3045","o3045","10.1107/S1600536807025068","","","0.71073","MoKα","","0.0421","0.0341","","","0.0887","0.0948","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214306","27.8814","0.0004","3.93","0.0001","11.9065","0.0002","90","","90","","90","","1304.64","0.04","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one","","- C15 H9 Br Cl F O -","- C15 H9 Br Cl F O -","- C60 H36 Br4 Cl4 F4 O4 -","4","1","LH2409","P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Bromophenyl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","7","o3238","o3238","10.1107/S1600536807027365","","","0.71073","MoKα","","0.0487","0.0315","","","0.0639","0.0811","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214371","7.0497","0.0003","10.5161","0.0004","9.1022","0.0004","90","","90","","90","","674.79","0.05","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","3-fluorosalicylaldoxime","","- C7 H6 F N O2 -","- C7 H6 F N O2 -","- C28 H24 F4 N4 O8 -","4","1","PK2020","Peter A. Wood; Ross S. Forgan; Simon Parsons; Elna Pidcock; Peter A. Tasker","3-Fluorosalicylaldoxime","Acta Crystallographica Section E","2007","63","7","o3132","o3132","10.1107/S1600536807020776","","","0.71073","MoKα","","0.0417","0.0369","","0.0952","0.0944","0.0952","","","","","","0.9955","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214389","13.0233","0.0013","15.969","0.003","3.869","0.001","90","","90","","90","","804.6","0.3","293","","","","","","","","","","","4","P n a 21","P 2c -2n","33","7-Azathieno[3,2-c]cinnoline","pyrido[4,3-e]thieno[3,2-c]pyridazine","","- C9 H5 N3 S -","- C9 H5 N3 S -","- C36 H20 N12 S4 -","4","1","SG2180","Hansen, Lars Kr.; Stockmann, Vegar; Fiksdahl, Anne","7-Azathieno[3,2-<i>c</i>]cinnoline","Acta Crystallographica Section E","2007","63","7","o3290","o3290","10.1107/S1600536807029947","","","0.7107","MoKα","","","0.0429","","","","0.1095","","","","","","0.988","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214450","21.2371","0.0014","7.7364","0.0005","12.6733","0.0009","90","","90","","90","","2082.2","0.2","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","cis-dichloridobis(1,10-phenanthroline-κ^2^N,N')cobalt(II)","","- C24 H16 Cl2 Co N4 -","- C24 H16 Cl2 Co N4 -","- C96 H64 Cl8 Co4 N16 -","4","1","XU2267","Li, Ling-Ling; Liu, Dong-Xia; Liu, Tian-Fu","A polymorph of <i>cis</i>-dichloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section E","2007","63","7","m1880","m1880","10.1107/S1600536807028073","","","0.71073","MoKα","","0.025","0.022","","","0.053","0.055","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214526","7.2201","0.0002","18.0627","0.0005","12.2046","0.0004","90","","90","","90","","1591.66","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(3<i>E</i>,4<i>E</i>)-3-(1,3-Benzodioxol-5-ylmethylene)-4-\ (1-phenylethylidene)tetrahydrofuran-2,5-dione","","- C20 H14 O5 -","- C20 H14 O5 -","- C80 H56 O20 -","4","1","BQ2028","Zheng, Liang-Wen; Dong, Wen-Liang; Zhang, Jin-Hua; Zhao, Bao-Xiang","(3<i>E</i>,4<i>E</i>)-3-(1,3-Benzodioxol-5-ylmethylene)-4-(1-phenylethylidene)tetrahydrofuran-2,5-dione","Acta Crystallographica Section E","2007","63","8","o3567","o3567","10.1107/S160053680703485X","","","0.71073","MoKα","","0.0413","0.0319","","","0.0804","0.0863","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214544","9.7163","0.0007","12.8528","0.0009","6.5282","0.0006","90","","90","","90","","815.25","0.11","299","2","299","2","","","","","","","","5","P n a 21","P 2c -2n","33","4-Chloroacetanilide","<i>N</i>-(4-Chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","BT2422","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(4-Chlorophenyl)acetamide: a redetermination","Acta Crystallographica Section E","2007","63","8","o3392","o3392","10.1107/S1600536807031893","","","1.5418","CuKα","","0.0358","0.0302","","","0.0795","0.0836","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214555","16.975","0.002","5.2277","0.0006","12.9176","0.0014","90","","90","","90","","1146.3","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methylenebis(phosphonic difluoride)","","- C H2 F4 O2 P2 -","- C H2 F4 O2 P2 -","- C8 H16 F32 O16 P16 -","8","2","BT2436","Blaurock, Steffen; Fischer, Axel; Schmutzler, Reinhard; Edelmann, Frank T.","Methylenebis(phosphonic difluoride)","Acta Crystallographica Section E","2007","63","8","o3496","o3496","10.1107/S1600536807034046","","","0.71073","MoKα","","0.0313","0.028","","","0.0736","0.0755","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214597","16.9856","0.0019","12.8279","0.0016","5.4455","0.0007","90","","90","","90","","1186.5","0.3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-Phenylquinoline-2-carboxamide","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","CI2426","Lin-Hai Jing; Yi Feng; Da-Bin Qin; Huan-Xia Zhang; Shao-Jin Gu","<i>N</i>-Phenylquinoline-2-carboxamide","Acta Crystallographica Section E","2007","63","8","o3618","o3618","10.1107/S1600536807036318","","","0.71073","MoKα","","0.0465","0.0412","","","0.1043","0.1082","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214599","15.888","0.0016","6.1274","0.0006","24.593","0.003","90","","90","","90","","2394.2","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-(4,5-dibromo-1H-pyrrole-2-carboxamido)propionate","","- C9 H10 Br2 N2 O3 -","- C9 H10 Br2 N2 O3 -","- C72 H80 Br16 N16 O24 -","8","2","CV2266","Xiang-Chao Zeng; Jing Zeng; Xia Li; Xin Ling","Methyl 2-(4,5-dibromo-1<i>H</i>-pyrrole-2-carboxamido)propionate","Acta Crystallographica Section E","2007","63","8","o3424","o3424","10.1107/S1600536807032497","","","0.71073","MoKα","","0.0684","0.0524","","","0.1371","0.1483","","","","","","1.094","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214607","24.469","0.0006","4.5342","0.0002","13.5408","0.0003","90","","90","","90","","1502.32","0.08","203","","203","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-{[8-(Trifluoromethyl)quinolin-4-yl]amino}phenyl)ethanone","","- C18 H13 F3 N2 O -","- C18 H13 F3 N2 O -","- C72 H52 F12 N8 O4 -","4","1","CV2279","Butcher, Ray J.; Jasinski, Jerry P.; Narayana, B.; Swamy, M. T.; Yathirajan, H. S.","1-(4-{[8-(Trifluoromethyl)quinolin-4-yl]amino}phenyl)ethanone","Acta Crystallographica Section E","2007","63","8","o3604","o3604","10.1107/S1600536807035544","","","1.54178","CuKα","","0.0313","0.0286","","","0.0742","0.0758","","","","","","1.18","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214676","22.94","0.003","11.055","0.001","3.805","0.0004","90","","90","","90","","964.95","0.18","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[copper(I)-μ-[2-(3-pyridyl)benzimidazolato- κ^2^<i>N</i>:<i>N</i>']]","","- C12 H8 Cu N3 -","- C12 H8 Cu N3 -","- C48 H32 Cu4 N12 -","4","1","HB2460","Huang, Xiao-Chun; Luo, Wei; Shen, Yu-Feng; Ng, Seik Weng","<i>catena</i>-Poly[copper(I)-μ-[2-(3-pyridyl)benzimidazolato-κ^2^<i>N</i>:<i>N</i>']]","Acta Crystallographica Section E","2007","63","8","m2041","m2041","10.1107/S1600536807031455","","","0.71073","MoKα","","0.0401","0.0318","","","0.0818","0.0867","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2214886","8.183","0.005","17.128","0.005","9.173","0.005","90","0.005","90","0.005","90","0.005","1285.7","1.1","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,3,5-Tris(1H-pyrazol-3-yl)benzene","","- C15 H12 N6 -","- C15 H12 N6 -","- C60 H48 N24 -","4","1","WK2069","Wen-Xiu Zhao; Yu-Xiang Gao; Shun-Fu Dong; Yan Li; Wei-Ping Zhang","1,3,5-Tris(1<i>H</i>-pyrazol-3-yl)benzene","Acta Crystallographica Section E","2007","63","8","o3448","o3448","10.1107/S1600536807032667","","","0.71069","MoKα","","0.0548","0.0418","","","0.1032","0.1122","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214891","11.3867","0.0011","13.0719","0.0009","15.3389","0.0014","90","","90","","90","","2283.1","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","3-[(carboxyphenyl)amino]cyclohexen-2-one","2-(3-Oxocyclohex-1-enyl)benzoic acid","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C104 H104 N8 O24 -","8","2","WN2148","Vieira, Flaviana T.; Menezes, Daniele C.; de Lima, Geraldo M.; Speziali, Nivaldo L.","2-(3-Oxocyclohex-1-enyl)benzoic acid","Acta Crystallographica Section E","2007","63","8","o3376","o3376","10.1107/S1600536807029959","","","0.71073","MoKα","","0.063","0.0457","","","0.117","0.1323","","","","","","0.925","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214906","7.4974","0.0005","14.969","0.0011","8.9885","0.001","90","","90","","90","","1008.77","0.15","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","methyl-carbazole","9-Methyl-2,3,4,9-tetrahydro-<i>1H</i>-carbazol-1-one","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","WW2091","A. Thiruvalluvar; A. Thomas Gunaseelan; A. Ebenezer Martin; K. J. Rajendra Prasad; R. J. Butcher","9-Methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","Acta Crystallographica Section E","2007","63","8","o3524","o3524","10.1107/S1600536807034307","","","0.71073","MoKα","","0.0591","0.0444","","","0.0987","0.1058","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214915","9.3295","0.0001","11.2863","0.0002","12.5962","0.0002","90","","90","","90","","1326.32","0.03","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1H-Benzimidazol-1-yl)-1-phenylethanone oxime","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","XU2293","Özel Güven, Özden; Erdoğan, Taner; Çaylak, Nagihan; Hökelek, Tuncer","2-(1<i>H</i>-Benzimidazol-1-yl)-1-phenylethanone oxime","Acta Crystallographica Section E","2007","63","8","o3463","o3464","10.1107/S1600536807033570","","","0.71073","MoKα","","0.127","0.045","","","0.104","0.128","","","","","","0.998","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215324","19.789","0.008","4.809","0.002","12.106","0.006","90","","90","","90","","1152.1","0.9","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(E)-N'-[(5-Methyl-2-thienyl)methylene]furan-2-carbohydrazide monohydrate","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C44 H48 N8 O12 S4 -","4","1","AT2385","Jing, Zuo-Liang; Yu, Ming; Chen, Xin","(<i>E</i>)-<i>N</i>'-[(5-Methyl-2-thienyl)methylene]furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2007","63","10","o3992","o3992","10.1107/S1600536807043115","","","0.7107","MoKα","","0.0457","0.0437","","","0.0904","0.0915","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215449","17.531","0.004","6.6251","0.0013","11.335","0.002","90","","90","","90","","1316.5","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Bis(melamine-κN)dihydroxidozinc(II) monohydrate","Dihydroxidobis(melamine-κ<i>N</i>)zinc(II) monohydrate","","- C6 H16 N12 O3 Zn -","- C6 H16 N12 O3 Zn -","- C24 H64 N48 O12 Zn4 -","4","1","DN2228","Wang, Guo-wei; Wu, Wen-yuan; Zhuang, Ling-hua","Dihydroxidobis(melamine-κ<i>N</i>)zinc(II) monohydrate","Acta Crystallographica Section E","2007","63","10","m2552","m2553","10.1107/S1600536807045254","","","0.71073","MoKα","","0.0603","0.0531","","","0.1353","0.1433","","","","","","1.088","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215565","20.375","0.0012","13.3513","0.0008","7.7876","0.0005","90","","90","","90","","2118.5","0.2","223","","223","","","","","","","","","4","P n a 21","P 2c -2n","33","","1,8-Bis(4-chlorobenzoyl)-2,7-dimethoxynaphthalene","","- C26 H18 Cl2 O4 -","- C26 H18 Cl2 O4 -","- C104 H72 Cl8 O16 -","4","1","IS2207","Nakaema, Kosuke; Okamoto, Akiko; Noguchi, Keiichi; Yonezawa, Noriyuki","1,8-Bis(4-chlorobenzoyl)-2,7-dimethoxynaphthalene","Acta Crystallographica Section E","2007","63","10","o4120","o4120","10.1107/S1600536807045114","","","1.54187","CuKα","","0.0298","0.0278","","","0.0728","0.0749","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215798","14.671","0.003","11.947","0.002","8.2025","0.0016","90","","90","","90","","1437.7","0.5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","catena-Poly[[(2-amino-5-chlorobenzenesulfonato-κ^2^N,O)silver(I)]-μ- 2,5-dimethylpyrazine-κ^2^N:N']","","- C12 H13 Ag Cl N3 O3 S -","- C12 H13 Ag Cl N3 O3 S -","- C48 H52 Ag4 Cl4 N12 O12 S4 -","4","1","BT2528","Hai-Yan Liu; Ji-Cheng Ma; Jin Yang","<i>catena</i>-Poly[[(2-amino-5-chlorobenzenesulfonato-κ^2^<i>N</i>,<i>O</i>)silver(I)]-μ-2,5-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2007","63","11","m2700","m2700","10.1107/S1600536807048957","","","0.71073","MoKα","","0.0304","0.0254","","","0.0509","0.0527","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215838","14.7784","0.0013","11.9726","0.0009","8.6133","0.0006","90","","90","","90","","1524","0.2","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(4-Allyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","CI2458","S̨ahin, Onur; Büyükgüngör, Orhan; S̨as̨maz, Selami; Kantar, Cihan","4-(4-Allyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2007","63","11","o4205","o4205","10.1107/S1600536807045138","","","0.71073","MoKα","","0.0555","0.0351","","","0.089","0.0993","","","","","","0.906","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215871","14.63","0.0015","25.025","0.003","5.9754","0.0006","90","","90","","90","","2187.7","0.4","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2,4,5,7,9,10-Hexathia-1,3,6,8(1,4)-tetrabenzenacyclodecaphane","","- C24 H16 S6 -","- C24 H16 S6 -","- C96 H64 S24 -","4","1","CV2323","Zhifo Guo; Rufen Zhang","2,4,5,7,9,10-Hexathia-1,3,6,8(1,4)-tetrabenzenacyclodecaphane","Acta Crystallographica Section E","2007","63","11","o4465","o4465","10.1107/S1600536807052567","","","0.71073","MoKα","","0.0404","0.034","","","0.0842","0.0894","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215917","8.9068","0.0006","5.9555","0.0004","18.4541","0.0011","90","","90","","90","","978.89","0.11","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(RS,RS)-5-[Hydroxy(4-methylphenyl)methyl]furan-2(5<i>H</i>)-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","GK2106","Ollevier, Thierry; Bouchard, Jean-Emmanuel; Desyroy, Valerie; Tessier, Christian","(<i>RS</i>,<i>RS</i>)-5-[Hydroxy(4-methylphenyl)methyl]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2007","63","11","o4298","o4298","10.1107/S1600536807048817","","","0.71073","MoKα","","0.0265","0.026","","","0.0716","0.0723","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215925","18.908","0.004","12.014","0.002","6.3685","0.0013","90","","90","","90","","1446.7","0.5","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[[aquaformato(1,10-phenanthroline)cobalt(II)]-μ-formato] monohydrate]","","- C14 H14 Co N2 O6 -","- C14 H14 Co N2 O6 -","- C56 H56 Co4 N8 O24 -","4","1","HB2527","Bin Zhou; Peng-Wu Zheng; Ke-Yue Liu","<i>catena</i>-Poly[[[aquaformato(1,10-phenanthroline)cobalt(II)]-μ-formato] monohydrate]","Acta Crystallographica Section E","2007","63","11","m2635","m2635","10.1107/S1600536807047162","","","0.71073","MoKα","","0.052","0.0426","","","0.093","0.1004","","","","","","0.86","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216105","21.3198","0.0005","6.1626","0.0002","8.6023","0.0003","90","","90","","90","","1130.22","0.06","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","1-(Ylomethyl)cyclopentyl 1',2'-phenylene orthocarbonate","1,4,6,13-Tetraoxa-2,3-benzodispiro[4.1.4.2]tridecane cyclopentanespiro-4'-(1,3-dioxolane)-2'-spiro-2''-1,3-benzodioxole]","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","RN2032","Betz, Richard; Klüfers, Peter","1-(Ylomethyl)cyclopentyl 1',2'-phenylene orthocarbonate","Acta Crystallographica Section E","2007","63","11","o4300","o4300","10.1107/S1600536807049434","","","0.71073","MoKα","","0.0418","0.0359","","","0.0882","0.0927","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216186","13.1733","0.0004","18.2824","0.0005","12.6656","0.0004","90","","90","","90","","3050.38","0.16","293","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Hydroxyimino-2-phenylperhydroquinolinium chloride hemihydrate","","- C15 H22 Cl N2 O1.5 -","- C15 H22.001 Cl N2 O1.5005 -","- C120 H176.008 Cl8 N16 O12.004 -","8","2","ZL2073","Thiruvalluvar, A.; Natarajan, D.","4-Hydroxyimino-2-phenylperhydroquinolinium chloride hemihydrate","Acta Crystallographica Section E","2007","63","11","o4431","o4431","10.1107/S1600536807052245","","","0.71073","MoKα","","0.0324","0.0276","","","0.0713","0.0745","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2216206","9.9552","0.0018","9.7684","0.0012","5.7191","0.0007","90","","90","","90","","556.16","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethylammonium nitrate","","- C2 H8 N2 O3 -","- C2 H8 N2 O3 -","- C8 H32 N8 O12 -","4","1","AT2464","Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","Dimethylammonium nitrate","Acta Crystallographica Section E","2007","63","12","o4621","o4621","10.1107/S1600536807054839","","","0.71073","MoKα","","0.0427","0.0355","","","0.0847","0.0867","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216335","16.094","0.002","13.472","0.001","14.488","0.001","90","","90","","90","","3141.3","0.5","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","tris(4-methylbenzyl)(1,4,7-trimethyl-1,4,7-triazacyclononane)lanthanum(III)","","- C33 H48 La N3 -","- C33 H48 La N3 -","- C132 H192 La4 N12 -","4","1","BV2078","Bambirra, Sergio; Meetsma, Auke; Bart Hessen, Bart","Tris(4-methylbenzyl)(1,4,7-trimethyl-1,4,7-triazacyclononane)lanthanum(III)","Acta Crystallographica Section E","2007","63","12","m2891","m2891","10.1107/S1600536807053640","","","0.71073","MoKα","","0.091","0.0479","","","0.0943","0.1086","","","","","","0.965","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216339","13.0699","0.0015","11.3731","0.0012","8.2215","0.0011","90","","90","","90","","1222.1","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(3-Chlorophenyl)-2-nitrobenzamide","","- C13 H9 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","BX2116","Saeed, Aamer; Hussain, Shahid; Bolte, Michael","<i>N</i>-(3-Chlorophenyl)-2-nitrobenzamide","Acta Crystallographica Section E","2007","63","12","o4666","o4666","10.1107/S1600536807056358","","","0.71073","MoKα","","0.0535","0.0456","","","0.1068","0.11","","","","","","1.104","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216499","16.1368","0.0016","12.5371","0.0014","6.2969","0.0004","90","","90","","90","","1273.9","0.2","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2,6-Diphenylpyridine","","- C17 H13 N -","- C17 H13 N -","- C68 H52 N4 -","4","1","HB2646","Rocha, Marisa A.; Low, John Nicolson; Gomes, Ligia R.; Quesada, Antonio; Santos, Luís M. N. B. F.","2,6-Diphenylpyridine","Acta Crystallographica Section E","2007","63","12","o4833","o4833","10.1107/S1600536807058850","","","0.71073","MoKα","","0.0899","0.055","","","0.1321","0.1628","","","","","","1.069","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216621","11.6323","0.0012","13.7738","0.001","11.5398","0.0007","90","","90","","90","","1848.9","0.3","294","1","294","1","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Ferrocenylmethyl-2-phenyl-1H-1,3-benzimidazole","","- C24 H20 Fe N2 -","- C24 H20 Fe N2 -","- C96 H80 Fe4 N8 -","4","1","LH2536","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","1-Ferrocenylmethyl-2-phenyl-1<i>H</i>-1,3-benzimidazole","Acta Crystallographica Section E","2007","63","12","m2882","m2882","10.1107/S1600536807053561","","","0.71073","MolybdenumKα","","0.039","0.0371","","","0.0912","0.0926","","","","","","1.088","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216656","7.812","0.003","13.649","0.005","5.711","0.002","90","","90","","90","","608.9","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-5-nitropyrimidine","","- C4 H2 Cl N3 O2 -","- C4 H2 Cl N3 O2 -","- C16 H8 Cl4 N12 O8 -","4","1","LX2031","Kang, Jun-Tao; Li, Zhi-Gang; Xu, Jing-Wei; Yang Wei","2-Chloro-5-nitropyrimidine","Acta Crystallographica Section E","2007","63","12","o4815","o4815","10.1107/S1600536807058795","","","0.71073","MoKα","","0.0312","0.0287","","","0.0658","0.0673","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216754","17.972","0.002","4.5618","0.0006","14.303","0.002","90","","90","","90","","1172.6","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid","","- C11 H10 Cl N3 O2 -","- C11 H10 Cl N3 O2 -","- C44 H40 Cl4 N12 O8 -","4","1","SG2207","Kai, Zhao; Xian-Hong Yin; Yu Feng; Yue Zhuang; Fei-Long Hu","3-Chloro-6-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)picolinic acid","Acta Crystallographica Section E","2007","63","12","o4801","o4801","10.1107/S160053680705903X","","","0.71073","MoKα","","0.0486","0.0414","","","0.1078","0.1138","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216892","10.7125","0.0009","14.1797","0.0012","12.7835","0.0011","90","","90","","90","","1941.8","0.3","291","2","291","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-Phenyl-<i>N</i>-{4-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]phenyl}aniline","","- C25 H18 N4 O -","- C25 H18 N4 O -","- C100 H72 N16 O4 -","4","1","BG2156","Li-Ping Han; Bin Li; Jie Liu","<i>N</i>-Phenyl-<i>N</i>-{4-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]phenyl}aniline","Acta Crystallographica Section E","2008","64","1","o242","o242","10.1107/S1600536807065245","","","0.71073","MoKα","","0.0525","0.04","","","0.078","0.0825","","","","","","0.991","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216937","11.28","0.003","20.43","0.005","4.1079","0.001","90","","90","","90","","946.7","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(2-Methoxyethoxy)-4-nitrobenzene","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C36 H44 N4 O16 -","4","1","BT2633","Yang Liu; Wei-Na Xu; Xiao-Ling Zhang; Jian-Ping Ma; Dian-Shun Guo","1-(2-Methoxyethoxy)-4-nitrobenzene","Acta Crystallographica Section E","2008","64","1","o12","o12","10.1107/S1600536807061636","","","0.71073","MoKα","","0.0321","0.0306","","","0.0778","0.0791","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217175","7.8689","0.0011","8.8441","0.0011","26.404","0.003","90","","90","","90","","1837.5","0.4","292","2","292","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-Ethyl 4-[4-(diethylamino)styryl]benzoate","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","LH2575","Yao, Yong-Yan; Lv, Long; Zhang, Jun-Xiang; He, Hong-Wu","(<i>E</i>)-Ethyl 4-[4-(diethylamino)styryl]benzoate","Acta Crystallographica Section E","2008","64","1","o259","o259","10.1107/S1600536807065610","","","0.71073","MoKα","","0.0852","0.044","","","0.0976","0.112","","","","","","0.879","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217356","6.228","0.0006","7.0292","0.0007","30.237","0.004","90","","90","","90","","1323.7","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(E)-4-Bromo-2-[(4-ethylphenyl)iminomethyl]phenol","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C60 H56 Br4 N4 O4 -","4","1","WN2219","Atalay, Şehriman; Erdem, Talip Kaya; Erşahin, Ferda; Tınkılıç, Nihat","(<i>E</i>)-4-Bromo-2-[(4-ethylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2008","64","1","o92","o92","10.1107/S1600536807058618","","","0.71073","MoKα","","0.0739","0.0413","","","0.0952","0.1087","","","","","","0.922","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217415","17.185","0.0016","8.9849","0.0009","13.3275","0.0013","90","","90","","90","","2057.8","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4'-Amino-2,2''-dioxo-2,2'',3,3''-tetrahydro-1H-indole-3-spiro-1'-cyclopent- 3'-ene-2'-spiro-3''-1H-indole-3',5',5'-tricarbonitrile dihydrate","","- C22 H16 N6 O4 -","- C22 H16 N6 O4 -","- C88 H64 N24 O16 -","4","1","BI2273","D. Gayathri; D. Velmurugan; G. Shanthi; P. T. Perumal; K. Ravikumar","4'-Amino-2,2''-dioxo-2,2'',3,3''-tetrahydro-1<i>H</i>-indole-3-spiro-1'-cyclopent-3'-ene-2'-spiro-3''-1<i>H</i>-indole-3',5',5'-tricarbonitrile dihydrate","Acta Crystallographica Section E","2008","64","2","o501","o502","10.1107/S1600536808002146","","","0.71073","MoKα","","0.0449","0.0418","","","0.1057","0.1082","","","","","","1.063","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217469","22.254","0.005","10.178","0.005","4.836","0.002","90","","90","","90","","1095.4","0.7","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-2-Methoxy-6-[(5-methylisoxazol-3-yl)iminomethyl]phenol","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","CV2374","Ren-Gao Zhao; Jie Lu; Ji-Kun Li","(<i>E</i>)-2-Methoxy-6-[(5-methylisoxazol-3-yl)iminomethyl]phenol","Acta Crystallographica Section E","2008","64","2","o499","o499","10.1107/S1600536808001888","","","0.71073","MoKα","","0.1","0.0496","","","0.0982","0.1217","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217473","8.198","0.004","18.589","0.008","10.049","0.004","90","","90","","90","","1531.4","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Methyl-3-(phenylsulfonyl)naphtho[1,2-b]furan","","- C19 H14 O3 S -","- C19 H14 O3 S -","- C76 H56 O12 S4 -","4","1","CV2379","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-Methyl-3-(phenylsulfonyl)naphtho[1,2-<i>b</i>]furan","Acta Crystallographica Section E","2008","64","2","o452","o452","10.1107/S1600536808000895","","","0.71073","MoKα","","0.0341","0.0306","","","0.0807","0.0829","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217488","22.1789","0.0002","8.0564","0.0001","14.9717","0.0002","90","","90","","90","","2675.17","0.05","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Dichlorido(η^6^-toluene)[tris(4-methoxyphenyl)phosphine]ruthenium(II)","","- C28 H29 Cl2 O3 P Ru -","- C28 H29 Cl2 O3 P Ru -","- C112 H116 Cl8 O12 P4 Ru4 -","4","1","DN2314","Wang, Lei; Zhou, Xiang-Ge; Li, Rui-Xiang","Dichlorido(η^6^-toluene)[tris(4-methoxyphenyl)phosphine]ruthenium(II)","Acta Crystallographica Section E","2008","64","2","m429","m429","10.1107/S1600536808002341","","","0.71073","MoKα","","0.0462","0.0318","","","0.0674","0.0739","","","","","","1.014","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217638","5.1961","0.0011","19.952","0.004","11.336","0.003","90","","90","","90","","1175.2","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(4-Amino-5-thioxo-4,5-dihydro-1<i>H</i>-1,2,4-triazol-3- ylmethyl)isoindoline-1,3-dione","","- C11 H9 N5 O2 S -","- C11 H9 N5 O2 S -","- C44 H36 N20 O8 S4 -","4","1","RN2038","Yunus, Uzma; Tahir, Mohammad Kalim; Bhatti, Moazzam Hussain; Yousaf, Naveeda; Helliwell, Madeleine","2-(4-Amino-5-thioxo-4,5-dihydro-1<i>H</i>-1,2,4-triazol-3-ylmethyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2008","64","2","o476","o477","10.1107/S1600536808001189","","","0.71073","MoKα","","0.0296","0.028","","","0.0682","0.0691","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217648","12.494","0.003","5.196","0.001","20.825","0.004","90","","90","","90","","1351.9","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-Dihydroxy-N'-(4-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","RZ2192","Yun-Peng Diao; Shan-Shan Huang; Jian-Kui Zhang; Ting-Guo Kang","2,4-Dihydroxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2008","64","2","o470","o470","10.1107/S1600536808001104","","","0.71073","MoKα","","0.0351","0.0306","","","0.0761","0.0794","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217683","18.63","0.007","9.16","0.003","12.457","0.004","90","","90","","90","","2125.8","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis[methyl 2-(2-pyridylmethylidene)hydrazinecarbodithioato]zinc(II)","","- C16 H18 N6 S4 Zn -","- C16 H18 N6 S4 Zn -","- C64 H72 N24 S16 Zn4 -","4","1","WN2230","Xiu-Xia Zhou; Zheng-Yuan Zhou; Jian-Qiao Chen; Xiao-Ming Lin; Yue-Peng Cai","Bis[methyl 2-(2-pyridylmethylidene)hydrazinecarbodithioato]zinc(II)","Acta Crystallographica Section E","2008","64","2","m328","m329","10.1107/S1600536807068493","","","0.71073","MoKα","","0.0606","0.0337","","","0.0702","0.0785","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2217779","8.341","0.0017","13.41","0.003","7.29","0.0015","90","","90","","90","","815.4","0.3","291","1","291","1","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-Methyl 2-methoxyimino-3-oxobutanoate","","- C6 H9 N O4 -","- C6 H9 N O4 -","- C24 H36 N4 O16 -","4","1","HB2698","Lu, Jin-Yong; Shen, Wei-Zheng; Preut, Hans; Arndt, Hans-Dieter","(<i>Z</i>)-Methyl 2-methoxyimino-3-oxobutanoate","Acta Crystallographica Section E","2008","64","3","o602","","10.1107/S1600536808004376","","","0.71073","MoKα","","0.0677","0.0273","","","0.053","0.057","","","","","","1.092","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217926","12.4529","0.0011","3.9724","0.0004","28.846","0.003","90","","90","","90","","1427","0.2","91","2","91","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3,4-Tribromothiophene","","- C4 H Br3 S -","- C4 H Br3 S -","- C32 H8 Br24 S8 -","8","2","HB2706","Kuriger, Tony M.; Moratti, Stephen C.; Simpson, Jim","2,3,4-Tribromothiophene","Acta Crystallographica Section E","2008","64","4","o709","","10.1107/S1600536808006600","","","0.71073","MoKα","","0.0751","0.0613","","","0.161","0.1719","","","","","","0.861","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217938","10.086","0.002","20.394","0.004","12.75","0.003","90","","90","","90","","2622.6","1","113","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-4-tert-Butyl-2-(2,6-diisopropylphenyliminomethyl)-6-(morpholinomethyl)phenol","","- C28 H40 N2 O2 -","- C28 H40 N2 O2 -","- C112 H160 N8 O8 -","4","1","HK2432","Zhu, Zhichen; Cui, Jin; Zhang, Mingjie","(<i>E</i>)-4-<i>tert</i>-Butyl-2-(2,6-diisopropylphenyliminomethyl)-6-(morpholinomethyl)phenol","Acta Crystallographica Section E","2008","64","4","o743","","10.1107/S1600536808007204","","","0.71073","MoKα","","0.0407","0.0374","","","0.0928","0.0952","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217963","18.573","0.001","20.263","0.001","12.7839","0.0005","90","","90","","90","","4811.2","0.4","115","2","115","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Iodidotris(triphenylphosphine)copper(I) acetonitrile solvate","","- C56 H48 Cu I N P3 -","- C56 H48 Cu I N P3 -","- C224 H192 Cu4 I4 N4 P12 -","4","1","LX2043","Venkatraman, Ramaiyer; Fronczek, Frank R.","Iodidotris(triphenylphosphine)copper(I) acetonitrile solvate","Acta Crystallographica Section E","2008","64","4","m577","","10.1107/S1600536808007174","","","0.71073","MoKα","","0.0479","0.0325","","","0.0626","0.0679","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218031","8.1155","0.0003","18.6014","0.0007","10.8319","0.0004","90","","90","","90","","1635.18","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Chlorophenylsulfonyl)-2-methylnaphtho[1,2-<i>b</i>]furan","","- C19 H13 Cl O3 S -","- C19 H13 Cl O3 S -","- C76 H52 Cl4 O12 S4 -","4","1","AT2553","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-(4-Chlorophenylsulfonyl)-2-methylnaphtho[1,2-<i>b</i>]furan","Acta Crystallographica Section E","2008","64","5","o837","","10.1107/S1600536808009215","","","0.71073","MoKα","","0.0254","0.0242","","","0.0648","0.0658","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218090","27.912","0.003","5.8607","0.0008","20.841","0.002","90","","90","","90","","3409.3","0.7","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Phenyl-1,5-di-2-thienylpentane-1,5-dione","","- C19 H16 O2 S2 -","- C19 H16 O2 S2 -","- C152 H128 O16 S16 -","8","2","CV2395","Meng, Tuan-Jie; Huang, Xian-Qiang; He, Qing-Peng; Wang, Jian-Yong","3-Phenyl-1,5-di-2-thienylpentane-1,5-dione","Acta Crystallographica Section E","2008","64","5","o853","","10.1107/S1600536808009884","","","0.71073","MoKα","","0.2071","0.0856","","","0.1649","0.1922","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218147","8.7198","0.0005","15.595","0.0014","9.3992","0.0006","90","","90","","90","","1278.15","0.16","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(2-Hydroxy-5-methylanilino)isobenzofuran-1(3<i>H</i>)-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","HK2444","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(2-Hydroxy-5-methylanilino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2008","64","5","o780","","10.1107/S1600536808008441","","","0.71073","MoKα","","0.036","0.0281","","","0.0633","0.0656","","","","","","0.987","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2218299","4.7432","0.0008","13.907","0.0013","14.5129","0.0016","90","","90","","90","","957.3","0.2","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Amino-2-methylquinoline monohydrate","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","AT2564","Tai, Xi-Shi; Xu, Jun; Feng, Yi-Min; Liang, Zu-Pei","4-Amino-2-methylquinoline monohydrate","Acta Crystallographica Section E","2008","64","6","o1026","","10.1107/S1600536808013093","","","0.71073","MoKα","","0.0457","0.032","","","0.0812","0.0931","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218404","12.0402","0.0006","19.673","0.001","6.4399","0.0003","90","","90","","90","","1525.4","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4,6,7-Tetramethyl-3-phenylsulfinyl-1-benzofuran","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C72 H72 O8 S4 -","4","1","FL2196","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2,4,6,7-Tetramethyl-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2008","64","6","o1143","","10.1107/S1600536808015031","","","0.71073","MoKα","","0.0536","0.0505","","","0.1356","0.1384","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2218410","12.0318","0.001","14.6759","0.0009","7.2635","0.0004","90","","90","","90","","1282.57","0.15","296","2","296","","","","","","","","","5","P n a 21","P 2c -2n","33","","2,5-Dimethyl-3-(3-methylthiophen-2-yl)perhydropyrrolo[3,4-<i>d</i>]isoxazole- 4,6-dione","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C48 H56 N8 O12 S4 -","4","1","GW2041","Odabaşoğlu, Mustafa; Özkan, Hamdi; Yıldırır, Yılmaz; Büyükgüngör, Orhan","2,5-Dimethyl-3-(3-methylthiophen-2-yl)perhydropyrrolo[3,4-<i>d</i>]isoxazole-4,6-dione","Acta Crystallographica Section E","2008","64","6","o1102","o1103","10.1107/S1600536808012993","","","0.71073","MoKα","","0.0482","0.0399","","","0.0872","0.0904","","","","","","1.083","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2218432","9.886","0.002","9.988","0.002","18.819","0.004","90","","90","","90","","1858.2","0.7","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[<i>N</i>-methyl-<i>N</i>- (methylsulfonyl)amino]pyrimidine-5-carboxylate","","- C17 H20 F N3 O4 S -","- C17 H20 F N3 O4 S -","- C68 H80 F4 N12 O16 S4 -","4","1","HK2456","He, Wei; Yang, Dong-Ling; Cui, Yong-Tao; Xu, Ye-Ming; Guo, Cheng","Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[<i>N</i>-methyl-<i>N</i>-(methylsulfonyl)amino]pyrimidine-5-carboxylate","Acta Crystallographica Section E","2008","64","6","o1126","","10.1107/S1600536808013524","","","0.71073","MoKα","","0.1022","0.0751","","","0.1659","0.1824","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218522","20.4","0.005","10.886","0.003","6.212","0.0015","90","","90","","90","","1379.5","0.6","273","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","1-(3-Nitrophenyl)-3-pivaloylthiourea","<i>N</i>-(3-Nitrophenyl)-<i>N</i>'-pivaloylthiourea","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C48 H60 N12 O12 S4 -","4","1","SG2240","Yusof, M. Sukeri M.; Muharam, Siti Hajar; Kassim, M. B.; Yamin, Bohari M.","<i>N</i>-(3-Nitrophenyl)-<i>N</i>'-pivaloylthiourea","Acta Crystallographica Section E","2008","64","6","o1137","","10.1107/S1600536808014530","","","0.71073","MoKα","","0.0617","0.0416","","","0.0945","0.1029","","","","","","0.905","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218580","39.548","0.004","12.6038","0.0011","13.1767","0.0012","90","","90","","90","","6568","1.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Ethane-1,2-diyl)bis[bis(3-methoxypropyl)methylphosphonium] bis(tetraphenylborate) diethyl ether solvate","","- C72 H96 B2 O5 P2 -","- C68 H86 B2 O4 P2 -","- C272 H344 B8 O16 P8 -","4","1","YA2073","Crossland, Justin L; Zakharov, Lev N; Tyler, David R","(Ethane-1,2-diyl)bis[bis(3-methoxypropyl)methylphosphonium] bis(tetraphenylborate) diethyl ether solvate","Acta Crystallographica Section E","2008","64","6","o1111","","10.1107/S1600536808013962","","","0.71073","MoKα","","0.047","0.043","","","0.11","0.114","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218655","16.4192","0.0002","7.0845","0.0001","31.4135","0.0004","90","","90","","90","","3654.08","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","Dibenzo-18-crown-6‒picric acid‒water (1/2/3)","","- C32 H36 N6 O23 -","- C32 H36 N6 O23 -","- C128 H144 N24 O92 -","4","1","CI2617","Saleh, Muhammad Idiris; Kusrini, Eny; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","Dibenzo-18-crown-6‒picric acid‒water (1/2/3)","Acta Crystallographica Section E","2008","64","7","o1318","o1319","10.1107/S1600536808018485","","","0.71073","MoKα","","0.0553","0.0436","","","0.1026","0.1096","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218682","15.278","0.003","18.388","0.004","5.6638","0.0011","90","","90","","90","","1591.1","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>rac</i>-(4a<i>R</i>,8a<i>R</i>)-2,3-Diphenyl-4a,5,6,7,8,8a- hexahydroquinoxaline","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","FB2093","Chen, Fang; Ye, Heng-Yun","<i>rac</i>-(4a<i>R</i>,8a<i>R</i>)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline","Acta Crystallographica Section E","2008","64","7","o1191","","10.1107/S1600536808016103","","","0.71073","MoKα","","0.0664","0.0474","","","0.0925","0.0999","","","","","","1.101","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218698","8.5431","0.0006","10.2137","0.0007","14.5426","0.0011","90","","90","","90","","1268.94","0.16","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Ethyl anthracene-9-carboxylate","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","GK2145","Weber, Edwin; Seichter, Wilhelm; Fischer, Conrad; Bendrath, L. M. S. Franziska; Ibragimov, Bakhtiyar T.","Ethyl anthracene-9-carboxylate","Acta Crystallographica Section E","2008","64","7","o1288","","10.1107/S1600536808017819","","","0.71073","MoKα","","0.0493","0.0349","","","0.08","0.0845","","","","","","1.044","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2218781","30.9008","0.0009","5.7352","0.0002","9.1499","0.0003","90","","90","","90","","1621.57","0.09","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-[(<i>E</i>,<i>Z</i>)-1,3-Diphenylprop-2-enylidene]- <i>N</i>'-(1,3-dithiolan-2-ylidene)-hydrazine","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C72 H64 N8 S8 -","4","1","OM2242","Liu, Jian-Feng; Liu, Xiao-Lan; Liu, Yong-Hong","<i>N</i>-[(<i>E</i>,<i>Z</i>)-1,3-Diphenylprop-2-enylidene]-<i>N</i>'-(1,3-dithiolan-2-ylidene)hydrazine","Acta Crystallographica Section E","2008","64","7","o1340","","10.1107/S1600536808018606","","","0.71073","MoKα","","0.0537","0.0458","","","0.1128","0.1172","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218827","20.7598","0.0006","8.2582","0.0002","12.7242","0.0004","90","","90","","90","","2181.42","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Propane-1,2-diammonium bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O')nickelate(II) tetrahydrate","","- C17 H26 N4 Ni O12 -","- C17 H26 N4 Ni O12 -","- C68 H104 N16 Ni4 O48 -","4","1","SU2054","Aghabozorg, Hossein; Heidari, Mohammad; Bagheri, Sara; Attar Gharamaleki, Jafar; Ghadermazi, Mohammad","Propane-1,2-diammonium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickelate(II) tetrahydrate","Acta Crystallographica Section E","2008","64","7","m874","m875","10.1107/S1600536808016309","","","0.71073","MoKα","","0.026","0.0234","","","0.0577","0.059","","","","","","1.006","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218872","8.0487","0.0015","5.4689","0.001","38.721","0.007","90","","90","","90","","1704.4","0.5","186.5","0.2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Benzylsulfanyl-5-(4-phenyl-1<i>H</i>-1,2,3-triazol-1-ylmethyl)-4<i>H</i>- 1,2,4-triazol-4-amine","","- C18 H17 N7 S -","- C18 H17 N7 S -","- C72 H68 N28 S4 -","4","1","AT2597","Chu, Qing-Zhu; Zhou, Huan-Ran; Zhang, Xiao-Ru","3-Benzylsulfanyl-5-(4-phenyl-1<i>H</i>-1,2,3-triazol-1-ylmethyl)-4<i>H</i>-1,2,4-triazol-4-amine","Acta Crystallographica Section E","2008","64","8","o1611","","10.1107/S1600536808023180","","","0.71073","MoKα","","0.0844","0.0781","","","0.1795","0.1827","","","","","","1.203","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218877","14.5786","0.0019","13.0728","0.0017","3.7216","0.0005","90","","90","","90","","709.27","0.16","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","4-aminophthalimide","5-aminoisoindole-1,3-dione","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","BG2195","Sarkar, Moloy","4-Aminophthalimide","Acta Crystallographica Section E","2008","64","8","o1654","","10.1107/S160053680802388X","","","0.71073","MoKα","","0.1139","0.0634","","","0.1101","0.1256","","","","","","1.093","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218921","11.307","0.003","19.768","0.007","9.713","0.003","90","","90","","90","","2171","1.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","amtolmetin guacil","2-Methoxyphenyl 2-{2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetamido}acetate","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C96 H96 N8 O20 -","4","1","BV2099","Lou, Ben-Yong; Guo, Xia; Lin, Qi","2-Methoxyphenyl 2-{2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetamido}acetate","Acta Crystallographica Section E","2008","64","8","o1439","","10.1107/S1600536808020722","","","0.71073","MoKα","","0.0987","0.068","","","0.0999","0.1088","","","","","","1.118","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218958","19.956","0.002","12.4742","0.0013","18.189","0.002","90","","90","","90","","4527.9","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1'-[o-Phenylenebis(nitrilomethylidyne)]di-2-naphthol ethanol hemisolvate","","- C29 H23 N2 O2.5 -","- C29 H23 N2 O2.5 -","- C232 H184 N16 O20 -","8","2","CV2421","Meng, Tuan-Jie; Qin, Xiao-Qiang; Zhao, Wen-Xian; Huang, Xian-Qiang; Wei, Guo-Dong","1,1'-[<i>o</i>-Phenylenebis(nitrilomethylidyne)]di-2-naphthol ethanol hemisolvate","Acta Crystallographica Section E","2008","64","8","o1520","","10.1107/S1600536808021740","","","0.71073","MoKα","","0.2266","0.0937","","","0.0948","0.1211","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219022","12.9356","0.0007","4.8718","0.0003","29.4119","0.0016","90","","90","","90","","1853.53","0.18","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 Cl N2 O5 -","- C18 H21 Cl N2 O5 -","- C72 H84 Cl4 N8 O20 -","4","1","HB2761","He, Dao-Hang; Zhu, Yong-Chuang; Yang, Zhuo-Ru; Song, Shao-Yun; Chen, Qi-Jin","<i>N</i>'-(2-Chlorobenzylidene)-3,4,5-trimethoxybenzohydrazide methanol solvate","Acta Crystallographica Section E","2008","64","8","o1649","","10.1107/S1600536808023891","","","0.71073","MoKα","","0.0364","0.0313","","","0.0773","0.0801","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219038","12.7768","0.0007","10.9803","0.0006","11.1069","0.0009","90","","90","","90","","1558.22","0.17","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","","(3<i>R</i>,3a<i>S</i>,6a<i>R</i>)-2,5-Dimethyl-3-(5-phenyl-2- thienyl)perhydropyrrolo[3,4-<i>d</i>][1,2]oxazole-4,6-dione","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","HK2484","Odabaşoğlu, Mustafa; Özkan, Hamdi; Yıldırır, Yılmaz; Büyükgüngör, Orhan","(3<i>R</i>,3a<i>S</i>,6a<i>R</i>)-2,5-Dimethyl-3-(5-phenyl-2-thienyl)perhydropyrrolo[3,4-<i>d</i>][1,2]oxazole-4,6-dione","Acta Crystallographica Section E","2008","64","8","o1423","o1424","10.1107/S1600536808020102","","","0.71073","MoKα","","0.0439","0.0371","","","0.0947","0.0985","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219070","19.6826","0.0004","3.8395","0.0001","14.0491","0.0003","90","","90","","90","","1061.71","0.04","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","(2E)-3-(2-chlorophenyl)-1-(2-furyl) prop-2-en-1-one","(E)-3-(2-Chlorophenyl)-1-(2-furyl)prop-2-en-1-one","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","IS2312","Fun, Hoong-Kun; Patil, P. S.; Jebas, Samuel Robinson; Dharmaprakash, S. M.","(<i>E</i>)-3-(2-Chlorophenyl)-1-(2-furyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","8","o1467","","10.1107/S1600536808020965","","","0.71073","MoKα","","0.0334","0.0315","","","0.0853","0.092","","","","","","1.095","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219096","21.3399","0.0007","3.7912","0.0001","12.9444","0.0004","90","","90","","90","","1047.25","0.05","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-3-(4-Chlorophenyl)-1-(2-furyl)prop-2-en-1-one","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","LH2657","Fun, Hoong-Kun; Patil, P. S.; Jebas, Samuel Robinson; Dharmaprakash, S. M.","(<i>E</i>)-3-(4-Chlorophenyl)-1-(2-furyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","8","o1530","","10.1107/S1600536808021934","","","0.71073","MoKα","","0.0604","0.0467","","","0.1176","0.1257","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219122","22.717","0.003","5.8173","0.0009","11.1789","0.0017","90","","90","","90","","1477.3","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-Ferrocenyl-3-phenylprop-2-en-1-one","","- C19 H16 Fe O -","- C19 H16 Fe O -","- C76 H64 Fe4 O4 -","4","1","OM2243","Liu, Yong-Hong; Liu, Jian-Feng; Jian, Pan-Ming; Liu, Xiao-Lan","(<i>E</i>)-1-Ferrocenyl-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2008","64","8","m1001","m1002","10.1107/S1600536808020059","","","0.71073","MoKα","","0.024","0.0219","","","0.0537","0.055","","","","","","1.004","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219172","13.892","0.003","16.64","0.002","7.372","0.003","90","","90","","90","","1704.1","0.8","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","{(E)-2-[3-(Dimethylammonio)propyliminomethyl]phenolato}diiodidozinc(II)","","- C12 H18 I2 N2 O Zn -","- C12 H18 I2 N2 O Zn -","- C48 H72 I8 N8 O4 Zn4 -","4","1","SJ2522","Zhu, Xue-Wen; Yang, Xu-Zhao","{(<i>E</i>)-2-[3-(Dimethylammonio)propyliminomethyl]phenolato}diiodidozinc(II)","Acta Crystallographica Section E","2008","64","8","m1090","m1091","10.1107/S1600536808023659","","","0.71073","MoKα","","0.0488","0.0428","","","0.097","0.1001","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219178","27.872","0.0006","3.9235","0.0001","11.6408","0.0002","90","","90","","90","","1272.99","0.05","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(4-Bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one","","- C15 H10 Br Cl O -","- C15 H10 Br Cl O -","- C60 H40 Br4 Cl4 O4 -","4","1","TK2281","Fun, Hoong-Kun; Patil, P. S.; Dharmaprakash, S. M.; Chantrapromma, Suchada","(<i>E</i>)-1-(4-Bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","8","o1464","","10.1107/S1600536808020795","","","0.71073","MoKα","","0.045","0.033","","","0.065","0.086","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219190","12.9234","0.0007","4.9159","0.0003","29.3975","0.0017","90","","90","","90","","1867.63","0.19","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>'-(2-Bromobenzylidene)-3,4,5-trimethoxybenzohydrazide methanol solvate","","- C18 H21 Br N2 O5 -","- C18 H21 Br N2 O5 -","- C72 H84 Br4 N8 O20 -","4","1","WN2271","Zhu, Yong-Chuang; He, Dao-Hang","<i>N</i>'-(2-Bromobenzylidene)-3,4,5-trimethoxybenzohydrazide methanol solvate","Acta Crystallographica Section E","2008","64","8","o1630","","10.1107/S1600536808021764","","","0.71073","MoKα","","0.041","0.0295","","","0.0664","0.0801","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219277","17.5626","0.0015","10.2239","0.0007","7.4513","0.0007","90","","90","","90","","1337.94","0.19","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)-1H-pyrazole","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","BX2163","Hasan, Aurangzeb; Ikram, Sumera; Badshah, Amir; Bolte, Michael; Zia, Mehwash","3-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2008","64","9","o1767","","10.1107/S1600536808025725","","","0.71073","MoKα","","0.0379","0.0342","","","0.0882","0.0905","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219367","16.267","0.002","11.1704","0.0016","14.9328","0.0014","90","","90","","90","","2713.4","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichlorido(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C12 H12 Cl2 N2 Zn -","- C12 H12 Cl2 N2 Zn -","- C96 H96 Cl16 N16 Zn8 -","8","2","HK2517","Khalighi, Aida; Ahmadi, Roya; Amani, Vahid; Khavasi, Hamid Reza","Dichlorido(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section E","2008","64","9","m1211","m1212","10.1107/S1600536808027104","","","0.71073","MoKα","","0.1167","0.0658","","","0.1302","0.15","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219435","6.1055","0.0009","7.3392","0.0011","27.469","0.004","90","","90","","90","","1230.9","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Chlorobenzylidene)-4-methoxyaniline","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","SJ2527","Ren, Xiao-Yan; Ding, Yu-Feng; Jian, Fang-Fang","<i>N</i>-(4-Chlorobenzylidene)-4-methoxyaniline","Acta Crystallographica Section E","2008","64","9","o1793","","10.1107/S1600536808026111","","","0.71073","MoKα","","0.0537","0.0348","","","0.0788","0.0883","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219757","12.401","0.003","8.1742","0.0016","27.396","0.006","90","","90","","90","","2777.1","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6,6'-Dibromo-2,2'-dihexyloxy-1,1'-binaphthalene","","- C32 H36 Br2 O2 -","- C32 H36 Br2 O2 -","- C128 H144 Br8 O8 -","4","1","AT2650","Li, Yu-Feng; Wang, Lin-Tong; Jian, Fang-Fang","6,6'-Dibromo-2,2'-dihexyloxy-1,1'-binaphthalene","Acta Crystallographica Section E","2008","64","11","o2140","","10.1107/S1600536808033369","","","0.71073","MoKα","","0.0725","0.036","","","0.0669","0.1031","","","","","","0.912","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219767","23.4301","0.0008","5.0324","0.0002","6.1254","0.0002","90","","90","","90","","722.24","0.04","223","","223","","","","","","","","","5","P n a 21","P 2c -2n","33","","sodium 2-mercaptoethanesulfonate monohydrate","","- C2 H7 Na O4 S2 -","- C2 H7 Na O4 S2 -","- C8 H28 Na4 O16 S8 -","4","1","BH2190","Mayr, Stefan; Günther, Detlef; Jaun, Bernhard; Schweizer, W. Bernd","Sodium 2-mercaptoethanesulfonate monohydrate (coenzyme M sodium salt monohydrate)","Acta Crystallographica Section E","2008","64","11","m1476","m1477","10.1107/S1600536808031814","","","0.71073","MoKα","","0.0528","0.0382","","","0.1178","0.1311","","","","","","0.952","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219826","7.211","0.002","17.688","0.005","11.026","0.003","90","","90","","90","","1406.3","0.7","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-Ethyl N'-(3,4-dimethoxybenzylidene)hydrazinecarboxylate monohydrate","","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","- C48 H72 N8 O20 -","4","1","CV2464","Lv, Lu-Ping; Zhang, Yong-Zhao; Ding, Xiao-Min; Li, Wei-Wei; Hu, Xian-Chao","(<i>E</i>)-Ethyl <i>N</i>'-(3,4-dimethoxybenzylidene)hydrazinecarboxylate monohydrate","Acta Crystallographica Section E","2008","64","11","o2196","","10.1107/S1600536808034417","","","0.71073","MoKα","","0.0356","0.0314","","","0.0817","0.0848","","","","","","1.066","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219839","14.341","0.003","12.785","0.002","15.997","0.003","90","","90","","90","","2933","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","Diethylammonium N-ethoxyphosphoryl-phenylamide","Diethylammonium anilino(methoxy)phosphinate","","- C12 H23 N2 O3 P -","- C12 H23 N2 O3 P -","- C96 H184 N16 O24 P8 -","8","2","EZ2138","Fu, Zhiyong; Liu, Xiaoling","Diethylammonium anilino(methoxy)phosphinate","Acta Crystallographica Section E","2008","64","11","o2171","","10.1107/S1600536808033023","","","0.71073","MoKα","","0.0568","0.0386","","","0.0736","0.0806","","","","","","1.034","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219983","13.335","0.002","16.384","0.002","7.212","0.001","90","","90","","90","","1575.7","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Dichlorido{2-[3-(dimethylammonio)propyliminomethyl]phenolato}zinc(II) hemihydrate","","- C12 H19 Cl2 N2 O1.5 Zn -","- C12 H19 Cl2 N2 O1.5 Zn -","- C48 H76 Cl8 N8 O6 Zn4 -","4","1","RZ2256","Zhu, Xue-Wen","Dichlorido{2-[3-(dimethylammonio)propyliminomethyl]phenolato}zinc(II) hemihydrate","Acta Crystallographica Section E","2008","64","11","m1456","m1457","10.1107/S1600536808033977","","","0.71073","MoKα","","0.0509","0.0406","","","0.0978","0.1034","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2220130","7.148","0.003","14.128","0.006","19.371","0.008","90","","90","","90","","1956.2","1.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,5-Bis(4-chlorophenyl)-3-(2-thienyl)pentane-1,5-dione","","- C21 H16 Cl2 O2 S -","- C21 H16 Cl2 O2 S -","- C84 H64 Cl8 O8 S4 -","4","1","CV2468","Huang, Xianqiang; Xin, Feng; Shi, Qiu-Lan; Wang, Yong; Wei, Guo-Dong","1,5-Bis(4-chlorophenyl)-3-(2-thienyl)pentane-1,5-dione","Acta Crystallographica Section E","2008","64","12","o2454","","10.1107/S1600536808038993","","","0.71073","MoKα","","0.1721","0.0597","","","0.1569","0.248","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220134","7.7333","0.0007","5.5957","0.0005","29.383","0.003","90","","90","","90","","1271.5","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Chloro-N-(3-phenylallylidene)aniline","","- C15 H12 Cl N -","- C15 H12 Cl N -","- C60 H48 Cl4 N4 -","4","1","CV2477","Zhang, Bing-Xiang","4-Chloro-<i>N</i>-(3-phenylallylidene)aniline","Acta Crystallographica Section E","2008","64","12","o2478","","10.1107/S1600536808039391","","","0.71073","MoKα","","0.0281","0.0257","","","0.0647","0.0664","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220184","13.1627","0.0005","22.4739","0.0007","5.8794","0.0002","90","","90","","90","","1739.23","0.1","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","piperidin-4-one","r-2,c-6-Bis(4-chlorophenyl)-c-3,t-3-dimethylpiperidin-4-one","","- C19 H19 Cl2 N O -","- C19 H19 Cl2 N O -","- C76 H76 Cl8 N4 O4 -","4","1","HB2832","Ilango, S. S.; Ponnuswamy, S.; Gayathri, P.; Thiruvalluvar, A.; Butcher, R. J.","<i>r</i>-2,<i>c</i>-6-Bis(4-chlorophenyl)-<i>c</i>-3,<i>t</i>-3-dimethylpiperidin-4-one","Acta Crystallographica Section E","2008","64","12","o2312","","10.1107/S1600536808036325","","","0.71073","MoKα","","0.1121","0.0393","","","0.0717","0.0828","","","","","","0.82","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2220318","12.031","0.0002","8.6056","0.0001","12.2438","0.0002","90","","90","","90","","1267.65","0.03","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-(4-Fluorobenzylidene)cyclooctanone","","- C15 H17 F O -","- C15 H17 F O -","- C60 H68 F4 O4 -","4","1","RK2112","Zhu, Yu-Lin; Xie, Min; Zheng, Jie; Deng, Changquan","(<i>E</i>)-2-(4-Fluorobenzylidene)cyclooctanone","Acta Crystallographica Section E","2008","64","12","o2417","","10.1107/S1600536808037653","","","0.71073","MoKα","","0.0674","0.0368","","","0.0708","0.0815","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220319","14.716","0.003","8.6671","0.0017","21.941","0.004","90","","90","","90","","2798.5","0.9","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-(2-Nitrobenzenesulfonamido)pyridinium nitrate","","- C11 H10 N4 O7 S -","- C11 H10 N4 O7 S -","- C88 H80 N32 O56 S8 -","8","2","RK2115","Zhao, Liang; Yu, Qi-Fei","4-(2-Nitrobenzenesulfonamido)pyridinium nitrate","Acta Crystallographica Section E","2008","64","12","o2281","","10.1107/S1600536808035654","","","0.71073","MoKα","","0.045","0.0401","","","0.0943","0.0978","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220376","14.5364","0.0008","12.1587","0.0005","7.078","0.0004","90","","90","","90","","1250.99","0.11","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","Dihydropyrimidinone","5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one","","- C13 H13 Cl N2 O2 -","- C13 H13 Cl N2 O2 -","- C52 H52 Cl4 N8 O8 -","4","1","TK2333","Anuradha, N.; Thiruvalluvar, A.; Pandiarajan, K.; Chitra, S.; Butcher, R. J.","5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2008","64","12","o2474","o2475","10.1107/S1600536808039366","","","0.71073","MoKα","","0.047","0.037","","","0.084","0.09","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220388","10.6611","0.0019","10.3876","0.0018","19.541","0.003","90","","90","","90","","2164","0.6","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,3,5-Tri-<i>p</i>-tolylpentane-1,5-dione","","- C26 H26 O2 -","- C26 H26 O2 -","- C104 H104 O8 -","4","1","WN2290","Shen, You-Liang","1,3,5-Tri-<i>p</i>-tolylpentane-1,5-dione","Acta Crystallographica Section E","2008","64","12","o2330","","10.1107/S1600536808036854","","","0.71073","MoKα","","0.072","0.0569","","","0.1276","0.1353","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220446","14.389","0.003","9.0391","0.0018","28.141","0.006","90","","90","","90","","3660.1","1.3","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-trifluoromethyl-3,4,5,6- tetrahydropyrimidin-2(1<i>H</i>)-one monohydrate","","- C18 H16 F3 N3 O6 -","- C18 H16 F3 N3 O6 -","- C144 H128 F24 N24 O48 -","8","2","CI2728","Yang, Feng-Ling; Zhang, Jing; Yao, Chang-Sheng","5-Benzoyl-4-hydroxy-6-(4-nitrophenyl)-4-trifluoromethyl-3,4,5,6-tetrahydropyrimidin-2(1<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2009","65","1","o87","o88","10.1107/S160053680804124X","","","0.71073","MoKα","","0.044","0.0418","","","0.1052","0.1069","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220483","12.9402","0.0004","6.4382","0.0002","10.6428","0.0003","90","","90","","90","","886.67","0.05","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Ammonium iron(III) phosphate(V) fluoride","","- F Fe H3.5 K0.125 N1.875 O4 P -","- F Fe H2 K0.1245 N0.875 O4 P -","- F8 Fe8 H16 K0.996 N7 O32 P8 -","8","2","FI2066","Wang, Lei; Zhou, Yan; Huang, Ya-Xi; Mi, Jin-Xiao","Ammonium iron(III) phosphate(V) fluoride, (NH~4~)~0.5~[(NH~4~)~0.375~K~0.125~]FePO~4~F, with ammonium partially substituted by potassium","Acta Crystallographica Section E","2009","65","1","i4","i5","10.1107/S1600536808042499","","","0.71073","MoKα","","0.0468","0.0314","","","0.0514","0.0537","","","","","","0.881","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220566","27.2391","0.0011","8.3483","0.0004","10.32","0.0004","90","","90","","90","","2346.77","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-Bis(3-phenylpropyl)-1<i>H</i>-benzimidazol-3-ium-2-carbodithioate","","- C26 H26 N2 S2 -","- C26 H26 N2 S2 -","- C104 H104 N8 S8 -","4","1","KJ2110","Akkurt, Mehmet; Yılmaz, Ülkü; Küçükbay, Hasan; Gençaslan, Mustafa; Büyükgüngör, Orhan","1,3-Bis(3-phenylpropyl)-1<i>H</i>-benzimidazol-3-ium-2-carbodithioate","Acta Crystallographica Section E","2009","65","1","o174","o175","10.1107/S1600536808042761","","","0.71073","MoKα","","0.0451","0.0323","","","0.076","0.0802","","","","","","0.972","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220580","19.921","0.002","19.938","0.002","9.371","0.001","90","","90","","90","","3722","0.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis(1-ferrocenylethanone oximato)triphenylantimony(V)","","- C42 H39 Fe2 N2 O2 Sb -","- C42 H39 Fe2 N2 O2 Sb -","- C168 H156 Fe8 N8 O8 Sb4 -","4","1","LX2068","Fan, Jinshi","Bis(1-ferrocenylethanone oximato)triphenylantimony(V)","Acta Crystallographica Section E","2009","65","1","m12","","10.1107/S1600536808039834","","","0.71073","MoKα","","0.0796","0.0501","","","0.1078","0.1194","","","","","","0.951","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220602","11.571","0.003","9.724","0.003","7.112","0.004","90","","90","","90","","800.2","0.6","292","2","292","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol 1-sulfide","","- C5 H9 O4 P S -","- C5 H9 O4 P S -","- C20 H36 O16 P4 S4 -","4","1","RK2119","Yang, Qi; Zhang, Ye-qin; Huang, Jian-qian; Men, Jian; Gao, Guo-wei","2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethanol 1-sulfide","Acta Crystallographica Section E","2009","65","1","o141","","10.1107/S1600536808041937","","","0.71073","MoKα","","0.0418","0.0368","","","0.1024","0.1063","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220638","15.996","0.001","9.1491","0.0006","10.3899","0.0009","90","","90","","90","","1520.55","0.19","90","0.5","90","0.5","","","","","","","","4","P n a 21","P 2c -2n","33","Dimethylanilinium picrate","<i>N</i>,<i>N</i>-Dimethylanilinium 2,4,6-trinitrophenolate","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C56 H56 N16 O28 -","4","1","SJ2565","Vembu, Nagarajan; Fronczek, Frank R.","<i>N</i>,<i>N</i>-Dimethylanilinium 2,4,6-trinitrophenolate","Acta Crystallographica Section E","2009","65","1","o111","o112","10.1107/S1600536808041743","","","1.54178","CuKα","","0.0237","0.0228","","","0.0588","0.0595","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220655","16.8879","0.0005","9.4723","0.0003","26.4552","0.0009","90","","90","","90","","4232","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","pentasodium(I) bis{[2,2',2''-(1,4,7-triazanonane-1,4,7-triyl)triacetato]zinc(II)} tris(perchlorate) methanol solvate","pentasodium(I) bis[(1,4,7-triazacyclononane-<i>N</i>,<i>N</i>',<i>N</i>''-triacetato)zinc(II)] tris(perchlorate) methanol solvate","","- C25 H40 Cl3 N6 Na5 O25 Zn2 -","- C25 H40 Cl3 N6 Na5 O25 Zn2 -","- C100 H160 Cl12 N24 Na20 O100 Zn8 -","4","1","WM2202","Pereira-García, Iria; Macías, Alejandro; Bastida, Rufina; Valencia, Laura","A novel zinc(II) complex with the ligand 2,2',2''-(1,4,7-triazanonane-1,4,7-triyl)triacetate (NOTA)","Acta Crystallographica Section E","2009","65","1","m84","m85","10.1107/S1600536808041895","","","0.71073","MoKα","","0.0504","0.0393","","","0.0807","0.0841","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220660","15.563","0.002","6.2005","0.0009","16.845","0.003","90","","90","","90","","1625.5","0.4","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","Triphenylpyrazine","2,3,5-Triphenylpyrazine","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","WN2297","Anuradha, N.; Thiruvalluvar, A.; Pandiarajan, K.; Chitra, S.; Butcher, R. J.","2,3,5-Triphenylpyrazine","Acta Crystallographica Section E","2009","65","1","o106","","10.1107/S1600536808041627","","","0.71073","MoKα","","0.092","0.0495","","","0.1075","0.1292","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220750","21.124","0.002","11.6212","0.0013","5.9826","0.0008","90","","90","","90","","1468.6","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Hydroxy-<i>N</i>'-[(<i>E</i>)-(3-hydroxy-2-naphthyl)methylene]benzohydrazide","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","CV2501","Sun, Yuying; Li, Hong-Gang; Wang, Xiao; Fu, Shizhou; Wang, Daqi","2-Hydroxy-<i>N</i>'-[(<i>E</i>)-(3-hydroxy-2-naphthyl)methylene]benzohydrazide","Acta Crystallographica Section E","2009","65","2","o262","","10.1107/S1600536808044073","","","0.71073","MoKα","","0.0873","0.0398","","","0.0589","0.0756","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220751","20.725","0.002","4.7857","0.0006","17.393","0.002","90","","90","","90","","1725.1","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Pyridine-2-carbaldehyde thiosemicarbazone","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C56 H64 N32 S8 -","8","2","CV2504","Song, Li-Hua; Zhang, Xiang; Jiang, Kun; Yang, Sheng-Xiang","Pyridine-2-carbaldehyde thiosemicarbazone","Acta Crystallographica Section E","2009","65","2","o356","","10.1107/S1600536809001962","","","0.71073","MoKα","","0.098","0.0656","","","0.1442","0.1654","","","","","","0.961","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220777","18.0393","0.0018","8.9854","0.0007","12.3947","0.0009","90","","90","","90","","2009.1","0.3","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1',3',3'-Trimethyl-2,3-diphenyl-2,3-dihydroisoxazole-5(4<i>H</i>)-spiro- 2'-indoline","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","FL2228","Laghrib, Naoual; Daran, Jean-Claude; Fihi, Rachid; Majidi, Lhou; Azrour, Mohamed","1',3',3'-Trimethyl-2,3-diphenyl-2,3-dihydroisoxazole-5(4<i>H</i>)-spiro-2'-indoline","Acta Crystallographica Section E","2009","65","2","o374","","10.1107/S1600536809002062","","","0.71073","MoKα","","0.0554","0.0422","","","0.0995","0.105","","","","","","1.148","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220785","12.7454","0.0008","10.8015","0.0007","8.8598","0.0005","90","","90","","90","","1219.72","0.13","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","8,8-Diethyl-1,4,5,8-tetrahydronaphthalene-1,4,5-trione","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","GW2058","Vega, Andrés; Ramirez-Rodríguez, Oney; Martínez-Cifuentes, Maximiliano; Ibañez, Andrés; Araya-Maturana, Ramiro","8,8-Diethyl-1,4,5,8-tetrahydronaphthalene-1,4,5-trione","Acta Crystallographica Section E","2009","65","2","o345","","10.1107/S1600536809001755","","","0.71073","MoKα","","0.0368","0.0363","","","0.098","0.099","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220875","11.1198","0.0006","15.7408","0.0008","7.6448","0.0003","90","","90","","90","","1338.1","0.11","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","{2-[1-(2-Amino-2-methylpropylimino)ethyl]phenolato- κ^3^<i>N</i>,<i>N'</i>,<i>O</i>}dioxidovanadium(V)","","- C12 H17 N2 O3 V -","- C12 H17 N2 O3 V -","- C48 H68 N8 O12 V4 -","4","1","NG2526","Romanowski, Grzegorz; Wera, Michał; Sikorski, Artur","{2-[1-(2-Amino-2-methylpropylimino)ethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}dioxidovanadium(V)","Acta Crystallographica Section E","2009","65","2","m190","","10.1107/S1600536808042839","","","0.71073","MoKα","","0.0607","0.0288","","","0.047","0.0505","","","","","","0.834","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220958","17.6366","0.0011","12.1078","0.0008","11.9148","0.0007","90","","90","","90","","2544.3","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","C6 H16 N O -, C10 H15 Cu2 O10, C H2 Cl2","<i>catena</i>-Poly[diethyl(2-hydroxyethyl)ammonium [[tetra-μ-acetato-κ^8^O:O'-dicuprate(II)(<i>Cu</i>—<i>Cu</i>)]-μ-acetato- κ^2^O:O'] dichloromethane solvate]","","- C17 H33 Cl2 Cu2 N O11 -","- C17 H33 Cl2 Cu2 N O11 -","- C68 H132 Cl8 Cu8 N4 O44 -","4","1","ZL2161","Shahid, Muhammad; Mazhar, Muhammad; O'Brien, Paul; Afzaal, Mohammad; Raftery, James","<i>catena</i>-Poly[diethyl(2-hydroxyethyl)ammonium [[tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-dicuprate(II)(<i>Cu</i>—<i>Cu</i>)]-μ-acetato-κ^2^<i>O</i>:<i>O</i>'] dichloromethane solvate]","Acta Crystallographica Section E","2009","65","2","m163","m164","10.1107/S1600536808044048","","","0.71073","MoKα","","0.0356","0.0338","","","0.0793","0.0803","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220989","24.3968","0.0011","4.8388","0.0002","12.804","0.0005","90","","90","","90","","1511.53","0.11","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Amino-3-bromobenzoic acid","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C56 H48 Br8 N8 O16 -","8","2","BQ2123","Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad; Waheed, Abdul","4-Amino-3-bromobenzoic acid","Acta Crystallographica Section E","2009","65","3","o640","","10.1107/S1600536809006825","","","0.71073","MoKα","","0.0448","0.0298","","","0.056","0.0594","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221017","14.6145","0.0004","31.378","0.001","5.9332","0.0002","90","","90","","90","","2720.81","0.15","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>n</i>-Undecanyl 2-(2,4-dichloroanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate","","- C26 H37 Cl2 N O S2 -","- C26 H37 Cl2 N O S2 -","- C104 H148 Cl8 N4 O4 S8 -","4","1","BT2880","El Ashry, El Sayed H.; Amer, Mohammed R.; Shah, M. Raza; Ng, Seik Weng","<i>n</i>-Undecanyl 2-(2,4-dichloroanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate","Acta Crystallographica Section E","2009","65","3","o601","","10.1107/S1600536809006187","","","0.71073","MoKα","","0.1066","0.0643","","","0.1513","0.1774","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221100","11.098","0.003","16.763","0.004","3.954","0.0009","90","","90","","90","","735.6","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Bromo-4-nitroaniline","","- C6 H5 Br N2 O2 -","- C6 H5 Br N2 O2 -","- C24 H20 Br4 N8 O8 -","4","1","HK2621","Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad","2-Bromo-4-nitroaniline","Acta Crystallographica Section E","2009","65","3","o480","","10.1107/S1600536809004073","","","0.71073","MoKα","","0.0825","0.0393","","","0.0748","0.0923","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221149","9.1867","0.0006","13.971","0.0008","10.2711","0.0007","90","","90","","90","","1318.27","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","NG2536","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","2-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzamide","Acta Crystallographica Section E","2009","65","3","o444","","10.1107/S1600536809001706","","","0.71073","MoKα","","0.0345","0.0309","","","0.0806","0.0834","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221381","19.017","0.002","5.4854","0.0007","15.2314","0.0018","90","","90","","90","","1588.9","0.3","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ethyl 6-methylsulfanyl-2-phenyl-1<i>H</i>-imidazo[1,2-<i>b</i>]pyrazole-7-carboxylate monohydrate","","- C15 H17 N3 O3 S -","- C15 H17 N3 O3 S -","- C60 H68 N12 O12 S4 -","4","1","HG2495","Shao, Teng-fei; Zhao, Gui-long; Wang, Jian-wu","Ethyl 6-methylsulfanyl-2-phenyl-1<i>H</i>-imidazo[1,2-<i>b</i>]pyrazole-7-carboxylate monohydrate","Acta Crystallographica Section E","2009","65","4","o923","","10.1107/S1600536809010988","","","0.71073","MoKα","","0.1003","0.0436","","","0.0772","0.0941","","","","","","0.972","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221417","15.268","0.004","6.921","0.003","8.807","0.002","90","","90","","90","","930.6","0.5","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Amino-3-nitropyridinium hydrogen oxalate","","- C7 H7 N3 O6 -","- C7 H7 N3 O6 -","- C28 H28 N12 O24 -","4","1","KJ2116","Akriche, Samah; Rzaigui, Mohamed","2-Amino-3-nitropyridinium hydrogen oxalate","Acta Crystallographica Section E","2009","65","4","o793","","10.1107/S1600536809008666","","","0.71073","Mokα","","0.045","0.0343","","","0.0817","0.0875","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221433","10.0574","0.0005","13.2532","0.0007","6.8321","0.0003","90","","90","","90","","910.67","0.08","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(4-Methoxyphenyl)-4,5-dihydro-1<i>H</i>-imidazole","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","LH2787","Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi","2-(4-Methoxyphenyl)-4,5-dihydro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2009","65","4","o798","","10.1107/S1600536809009106","","","0.71073","MoKα","","0.0739","0.0455","","","0.0855","0.096","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221449","10.0531","0.0004","29.9108","0.0013","10.1945","0.0004","90","","90","","90","","3065.4","0.2","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-Amino-4-(4-bromophenyl)-8-trifluoromethyl-3,4- dihydropyrimido[1,2-<i>a</i>][1,3,5]triazin-6(5<i>H</i>)-one","","- C13 H9 Br F3 N5 O -","- C13 H9 Br F3 N5 O -","- C104 H72 Br8 F24 N40 O8 -","8","2","NG2543","Dolzhenko, Anton V.; Sachdeva, Nikhil; Tan, Geok Kheng; Koh, Lip Lin; Chui, Wai Keung","2-Amino-4-(4-bromophenyl)-8-trifluoromethyl-3,4-dihydropyrimido[1,2-<i>a</i>][1,3,5]triazin-6(5<i>H</i>)-one","Acta Crystallographica Section E","2009","65","4","o684","","10.1107/S1600536809007612","","","0.71073","MoKα","","0.0679","0.0517","","","0.129","0.1378","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221537","19.4035","0.0003","4.433","0.0001","11.7695","0.0002","90","","90","","90","","1012.36","0.03","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,9-Dichloro-1,10-phenanthroline","","- C12 H6 Cl2 N2 -","- C12 H6 Cl2 N2 -","- C48 H24 Cl8 N8 -","4","1","TK2404","Nadeem, Said; Shah, Muhammad Raza; Ng, Seik Weng","2,9-Dichloro-1,10-phenanthroline","Acta Crystallographica Section E","2009","65","4","o922","","10.1107/S1600536809011180","","","0.71073","MoKα","","0.023","0.022","","","0.06","0.061","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221715","9.412","0.0005","19.4108","0.0011","6.5261","0.0004","90","","90","","90","","1192.28","0.12","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(3-Methylbut-2-en-1-yl)-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","HK2656","Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Bilal, Muhammad Humayun; Mubashar-ur-Rehman, Hafiz","2-(3-Methylbut-2-en-1-yl)-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section E","2009","65","5","o986","","10.1107/S1600536809012021","","","0.71073","MoKα","","0.0322","0.0289","","","0.0787","0.0829","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221733","9.2333","0.0018","9.2163","0.0018","14.101","0.003","90","","90","","90","","1200","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]- μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C12 H8 Co N2 O4 -","- C12 H8 Co N2 O4 -","- C48 H32 Co4 N8 O16 -","4","1","HY2191","Li, Pei-Zhou; Xu, Qiang","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2009","65","5","m508","","10.1107/S1600536809012690","","","0.71073","MoKα","","0.0815","0.0518","","","0.1186","0.1355","","","","","","1.091","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221746","12.925","0.003","20.163","0.005","5.451","0.001","90","","90","","90","","1420.6","0.5","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-[(<i>E</i>)-2,5-Dimethoxybenzylidene]indan-1-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","JH2077","Asiri, Abdullah Mohamed; Akkurt, Mehmet; Zayed, Mohie Aldin M.; Khan, Islam Ullah; Arshad, Muhammad Nadeem","2-[(<i>E</i>)-2,5-Dimethoxybenzylidene]indan-1-one","Acta Crystallographica Section E","2009","65","5","o1061","","10.1107/S1600536809013579","","","0.71073","MoKα","","0.1729","0.0554","","","0.0853","0.1146","","","","","","0.967","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221803","12.2195","0.0002","21.9907","0.0004","7.6256","0.0001","90","","90","","90","","2049.12","0.06","100","2","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-Methyl-4-[2-(1-naphthyl)vinyl]pyridinium 4-bromobenzenesulfonate","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C96 H80 Br4 N4 O12 S4 -","4","1","SJ2603","Chantrapromma, Suchada; Chanawanno, Kullapa; Fun, Hoong-Kun","(<i>E</i>)-1-Methyl-4-[2-(1-naphthyl)vinyl]pyridinium 4-bromobenzenesulfonate","Acta Crystallographica Section E","2009","65","5","o1144","o1145","10.1107/S1600536809014974","","","0.71073","MoKα","","0.0783","0.0468","","","0.0936","0.1065","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221805","9.423","0.001","9.839","0.001","13.77","0.001","90","","90","","90","","1276.7","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N'</i>-(5-Chloro-2-hydroxybenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Cl N2 O3 -","- C14 H11 Cl N2 O3 -","- C56 H44 Cl4 N8 O12 -","4","1","SJ2605","Qiu, Xiao-Yang","<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2009","65","5","o975","","10.1107/S160053680901215X","","","0.71073","MoKα","","0.0276","0.0262","","","0.0697","0.0708","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221813","13.0336","0.0004","11.5242","0.0003","12.4132","0.0004","90","","90","","90","","1864.49","0.1","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","4-{[3-(4-Hydroxybenzylideneamino)-2,2-dimethylpropyl]iminiomethyl}phenolate dihydrate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","SJ2615","Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi","4-{[3-(4-Hydroxybenzylideneamino)-2,2-dimethylpropyl]iminiomethyl}phenolate dihydrate","Acta Crystallographica Section E","2009","65","5","o1071","o1072","10.1107/S1600536809013804","","","0.71073","MoKα","","0.0664","0.0467","","","0.1042","0.116","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221819","11.086","0.002","18.15","0.004","7.5962","0.0017","90","","90","","90","","1528.4","0.6","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Anilino-<i>N</i>-methyl-<i>N</i>-phenylbenzamide","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","SU2103","Yang, Xing-Xing; Zhou, Chenglin; Qin, Da-Bin","2-Anilino-<i>N</i>-methyl-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2009","65","5","o1107","","10.1107/S1600536809013026","","","0.71073","MoKα","","0.0351","0.0332","","","0.0788","0.08","","","","","","1.183","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221832","25.977","0.0001","9.7698","0.0004","16.0578","0.0007","90","","90","","90","","4075.3","0.2","299","2","299","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-<i>N</i>-(3,5-dimethylphenyl)acetamide","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C160 H192 Cl16 N16 O16 -","16","4","TK2414","Gowda, B. Thimme; Foro, Sabine; Terao, Hiromitsu; Fuess, Hartmut","2-Chloro-<i>N</i>-(3,5-dimethylphenyl)acetamide","Acta Crystallographica Section E","2009","65","5","o1040","","10.1107/S160053680901304X","","","0.71073","MoKα","","0.076","0.05","","","0.146","0.164","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221897","9.4734","0.0009","19.5825","0.0017","5.8509","0.0005","90","","90","","90","","1085.42","0.17","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Phenyl <i>N</i>-phenylcarbamate","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","AT2785","Shahwar, Durre; Tahir, M. Nawaz; Mughal, M. Sharif; Khan, Muhammad Akmal; Ahmad, Naeem","Phenyl <i>N</i>-phenylcarbamate","Acta Crystallographica Section E","2009","65","6","o1363","","10.1107/S1600536809017887","","","0.71073","MoKα","","0.1445","0.0455","","","0.0654","0.0861","","","","","","0.966","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2221945","6.851","0.0004","24.3789","0.0015","9.7043","0.0006","90","","90","","90","","1620.81","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Aminobenzothiazolium 2,4-dicarboxybenzoate monohydrate","","- C16 H14 N2 O7 S -","- C16 H14 N2 O7 S -","- C64 H56 N8 O28 S4 -","4","1","BT2963","Zhang, Na; Liu, Kai-Sheng; Zhao, Xiao-Jun","2-Aminobenzothiazolium 2,4-dicarboxybenzoate monohydrate","Acta Crystallographica Section E","2009","65","6","o1398","","10.1107/S160053680901890X","","","0.71073","MoKα","","0.0333","0.0298","","","0.0686","0.0703","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221959","18.119","0.0002","8.8135","0.0001","6.2585","0.0001","90","","90","","90","","999.43","0.02","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Acetonyl-2-hydroxyindan-1,3-dione","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","CI2791","Fun, Hoong-Kun; Quah, Ching Kheng; Parveen, Mehtab; Ghalib, Raza Murad; Mehdi, Sayed Hasan","2-Acetonyl-2-hydroxyindan-1,3-dione","Acta Crystallographica Section E","2009","65","6","o1209","","10.1107/S1600536809016067","","","0.71073","MoKα","","0.0377","0.0331","","","0.0924","0.1056","","","","","","1.181","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222021","16.231","0.003","19.479","0.004","5.5226","0.0011","90","","90","","90","","1746","0.6","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 2-benzyl-1-propyl-1<i>H</i>-indole-3-carboxylate","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","HB2963","Li, Peifan; Wang, Wenjie; Li, Caiyun; Bian, Xiaoxia","Ethyl 2-benzyl-1-propyl-1<i>H</i>-indole-3-carboxylate","Acta Crystallographica Section E","2009","65","6","o1284","","10.1107/S1600536809016493","","","0.71073","MoKα","","0.047","0.0435","","","0.0991","0.1016","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222101","15.5221","0.0015","11.5423","0.0011","8.136","0.0008","90","","90","","90","","1457.7","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(2-Aminoethyl)-5-(dimethylamino)naphthalene-1-sulfonamide","","- C14 H19 N3 O2 S -","- C14 H19 N3 O2 S -","- C56 H76 N12 O8 S4 -","4","1","LH2821","Zhang, Shi-lei; Zhao, Bi-lin; Su, Zhen-hong; Xia, Xian-you; Zhang, Yong","<i>N</i>-(2-Aminoethyl)-5-(dimethylamino)naphthalene-1-sulfonamide","Acta Crystallographica Section E","2009","65","6","o1452","","10.1107/S160053680901962X","","","0.71073","MoKα","","0.0427","0.0411","","","0.1054","0.1066","","","","","","1.106","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222111","20.4254","0.0011","8.8913","0.0006","6.257","0.0004","90","","90","","90","","1136.32","0.12","293","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>rac</i>-4,8-Divinylbicyclo[3.3.1]nonane-2,6-dione","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","NG2580","Orentas, Edvinas; Wendt, Ola F.; Wärnmark, Kenneth; Butkus, Eugenijus; Wallentin, Carl-Johan","<i>rac</i>-4,8-Divinylbicyclo[3.3.1]nonane-2,6-dione","Acta Crystallographica Section E","2009","65","6","o1357","","10.1107/S1600536809018443","","","0.71073","MoKα","","","0.0438","","","","0.1095","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222145","16.073","0.002","15.628","0.002","13.284","0.001","90","","90","","90","","3336.8","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)-2-methoxybenzohydrazide","","- C15 H12 I2 N2 O3 -","- C15 H12 I2 N2 O3 -","- C120 H96 I16 N16 O24 -","8","2","SJ2624","Peng, San-Jun; Zhang, Fen","<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2009","65","6","o1410","","10.1107/S160053680901914X","","","0.71073","MoKα","","0.078","0.046","","","0.089","0.1008","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222236","16.3588","0.001","9.6451","0.0006","9.9603","0.0006","90","","90","","90","","1571.56","0.17","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Hydroxyphenyl)-2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol- 2-yl)acetamide","","- C15 H12 N2 O5 S -","- C15 H12 N2 O5 S -","- C60 H48 N8 O20 S4 -","4","1","BI2377","Verma, Abha; Stevens, Edwin D.","<i>N</i>-(4-Hydroxyphenyl)-2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide","Acta Crystallographica Section E","2009","65","7","o1667","","10.1107/S1600536809023022","","","0.71073","MoKα","","0.0458","0.0392","","","0.0808","0.084","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222291","17.272","0.004","15.789","0.003","5.5948","0.0011","90","","90","","90","","1525.7","0.5","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Bromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole","","- C19 H13 Br Cl N -","- C19 H13 Br Cl N -","- C76 H52 Br4 Cl4 N4 -","4","1","DN2457","Xiao, Zi-Dan; Pan, Tong; Yang, Dao-Wu","3-Bromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2009","65","7","o1476","","10.1107/S1600536809019448","","","0.71073","MoKα","","0.0265","0.0232","","","0.0552","0.0563","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222302","5.8298","0.0008","7.0671","0.0011","18.776","0.006","90","","90","","90","","773.6","0.3","122","1","122","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-Bromoselenoanisole","1-bromo-4-methylselenobenzene","","- C7 H7 Br Se -","- C7 H7 Br Se -","- C28 H28 Br4 Se4 -","4","1","FJ2225","Sørensen, Henning Osholm; Stuhr-Hansen, Nicolai","4-Bromoselenoanisole","Acta Crystallographica Section E","2009","65","7","o1665","o1666","10.1107/S160053680902296X","","","1.54184","CuKα","","0.0273","0.0273","","","0.0748","0.0748","","","","","","1.147","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222306","17.407","0.004","15.068","0.003","5.5865","0.0011","90","","90","","90","","1465.3","0.5","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Bromo-9-(4-fluorobenzyl)-9<i>H</i>-carbazole","","- C19 H13 Br F N -","- C19 H13 Br F N -","- C76 H52 Br4 F4 N4 -","4","1","GK2211","Wang, Cheng-Feng","3-Bromo-9-(4-fluorobenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2009","65","7","o1589","","10.1107/S160053680901976X","","","0.71073","MoKα","","0.0362","0.0316","","","0.0682","0.0702","","","","","","0.985","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222330","10.5736","0.0009","18.5414","0.0014","5.9681","0.0004","90","","90","","90","","1170.04","0.15","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Phenyl <i>N</i>-(2-methylphenyl)carbamate","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","HB5008","Shahwar, Durre; Tahir, M. Nawaz; Ahmad, Naeem; Yasmeen, Asma; Ullah, Saif","Phenyl <i>N</i>-(2-methylphenyl)carbamate","Acta Crystallographica Section E","2009","65","7","o1629","","10.1107/S1600536809022788","","","0.71073","MoKα","","0.0799","0.039","","","0.0728","0.083","","","","","","1.013","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222347","9.524","0.003","11.006","0.004","5.942","0.002","90","","90","","90","","622.8","0.4","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-(Hydroxymethyl)phenol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","HK2691","Liu, Wei-Sheng; Wei, Rui-Ping; Tang, Xiao-Liang; Wang, Wen-Hua; Ju, Zheng-Hua","4-(Hydroxymethyl)phenol","Acta Crystallographica Section E","2009","65","7","o1689","","10.1107/S1600536809022466","","","0.71073","MoKα","","0.0439","0.0352","","","0.0716","0.0763","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222453","25.3323","0.0008","3.9816","0.0001","14.0163","0.0004","90","","90","","90","","1413.73","0.07","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Thienyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C64 H64 O16 S4 -","4","1","SJ2627","Suwunwong, Thitipone; Chantrapromma, Suchada; Pakdeevanich, Paradorn; Fun, Hoong-Kun","(<i>E</i>)-1-(2-Thienyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","7","o1575","o1576","10.1107/S1600536809021850","","","0.71073","MoKα","","0.0346","0.0334","","","0.0978","0.0993","","","","","","1.095","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222517","13.3085","0.0008","4.9953","0.0003","23.4061","0.0012","90","","90","","90","","1556.04","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(3-Bromophenyl)-3,4,5-trimethoxybenzamide","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C64 H64 Br4 N4 O16 -","4","1","ZL2213","Saeed, Aamer; Hussain, Shahid; Ibrar, Aliya; Bolte, Michael","<i>N</i>-(3-Bromophenyl)-3,4,5-trimethoxybenzamide","Acta Crystallographica Section E","2009","65","7","o1470","","10.1107/S1600536809020509","","","0.71073","MoKα","","0.0374","0.0329","","","0.0741","0.0759","","","","","","0.993","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222635","8.6908","0.0001","22.2551","0.0003","11.3771","0.0002","90","","90","","90","","2200.5","0.05","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Amino-3-(<i>o</i>-tolyloxymethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C10 H12 N4 O S -","- C10 H12 N4 O S -","- C80 H96 N32 O8 S8 -","8","2","CI2852","Fun, Hoong-Kun; Liew, Wei-Ching; Vijesh, A. M.; Padaki, Mahesh; Isloor, Arun M.","4-Amino-3-(<i>o</i>-tolyloxymethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2009","65","8","o1910","o1911","10.1107/S1600536809027275","","","0.71073","MoKα","","0.0313","0.0282","","","0.071","0.0746","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222703","9.763","0.002","9.197","0.0018","29.352","0.006","90","","90","","90","","2635.5","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[[3-(2-pyridyl)-1<i>H</i>-pyrazole]nickel(II)]-μ-oxalato] sesquihydrate]","","- C10 H10 N3 Ni O5.5 -","- C10 H10 N3 Ni O5.5 -","- C80 H80 N24 Ni8 O44 -","8","2","HB5014","Jiang, Bin; Liu, Zhilu","<i>catena</i>-Poly[[[[3-(2-pyridyl)-1<i>H</i>-pyrazole]nickel(II)]-μ-oxalato] sesquihydrate]","Acta Crystallographica Section E","2009","65","8","m898","m899","10.1107/S1600536809026117","","","0.71073","MoKα","","0.0726","0.0557","","","0.1277","0.1387","","","","","","0.999","","","","has coordinates,has Fobs","211411","2020-10-21","18:00:00",""
"2222705","17.629","0.003","14.666","0.002","5.642","0.0008","90","","90","","90","","1458.7","0.4","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9-Benzyl-3-bromo-9<i>H</i>-carbazole","","- C19 H14 Br N -","- C19 H14 Br N -","- C76 H56 Br4 N4 -","4","1","HB5016","Huang, Peng-Mian; Wang, Xiao-Chun","9-Benzyl-3-bromo-9<i>H</i>-carbazole","Acta Crystallographica Section E","2009","65","8","o1763","","10.1107/S1600536809024969","","","0.7107","MoKα","","0.0478","0.0359","","","0.0644","0.069","","","","","","0.982","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222765","14.086","0.004","3.8756","0.0012","27.271","0.008","90","","90","","90","","1488.8","0.8","223","2","223","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-Hydrazino-1-methylpyrazolo[3,4-<i>d</i>]pyrimidine","","- C6 H8 N6 -","- C6 H8 N6 -","- C48 H64 N48 -","8","2","JH2082","Dolzhenko, Anton V.; Pastorin, Giorgia; Dolzhenko, Anna V.; Tan, Geok Kheng; Koh, Lip Lin","4-Hydrazino-1-methylpyrazolo[3,4-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2009","65","8","o1720","o1721","10.1107/S1600536809023952","","","0.71073","MoKα","","0.0668","0.0645","","","0.1571","0.1586","","","","","","1.206","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2222835","15.375","0.003","7.0706","0.0014","15.255","0.003","90","","90","","90","","1658.4","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(4-Fluorophenyl)[6-(2-furyl)-7-nitro-2,3,4,6,7,8-hexahydro-1<i>H</i>- pyrido[1,2-<i>a</i>]pyrimidin-9-yl]methanone","","- C19 H18 F N3 O4 -","- C19 H18 F N3 O4 -","- C76 H72 F4 N12 O16 -","4","1","PV2155","Yaqub, Muhammad; Shafiq, Zahid; Qureshi, Ashfaq M.; Najam-ul-Haq, Muhammad","(4-Fluorophenyl)[6-(2-furyl)-7-nitro-2,3,4,6,7,8-hexahydro-1<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-9-yl]methanone","Acta Crystallographica Section E","2009","65","8","o1869","","10.1107/S1600536809026373","","","0.71073","MoKα","","0.0548","0.039","","","0.0619","0.0656","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222875","16.169","0.003","25.67","0.005","7.6166","0.0014","90","","90","","90","","3161.3","1","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tris{2-[4-(2-pyridyl)pyrimidin-2-ylsulfanyl]ethyl}amine","","- C33 H30 N10 S3 -","- C33 H30 N10 S3 -","- C132 H120 N40 S12 -","4","1","SI2186","Wang, Jian-Quan; Zhang, Ya-Wen; Cheng, Lin","Tris{2-[4-(2-pyridyl)pyrimidin-2-ylsulfanyl]ethyl}amine","Acta Crystallographica Section E","2009","65","8","o1889","o1890","10.1107/S160053680902741X","","","0.71073","MoKα","","0.1428","0.0699","","","0.1086","0.1232","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222909","6.156","0.002","9.751","0.003","8.6764","0.0018","90","","90","","90","","520.8","0.3","298","","298","","6500000","","","","","","","5","P n a 21","P 2c -2n","33","","3-Fluorosalicylaldoxime","","- C7 H6 F N O2 -","- C7 H6 F N O2 -","- C28 H24 F4 N4 O8 -","4","1","TK2511","Wood, Peter A.; Forgan, Ross S.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.","3-Fluorosalicylaldoxime at 6.5 GPa","Acta Crystallographica Section E","2009","65","8","o2001","","10.1107/S1600536809029043","","","0.71073","MoKα","","0.053","0.036","","0.049","0.041","0.049","","","","","","0.937","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222951","8.9512","0.0004","14.9545","0.0005","14.4038","0.0006","90","","90","","90","","1928.1","0.13","290","2","290","2","101.3","","","","","","","3","P n a 21","P 2c -2n","33","triphenylmethyl benzoate","Triphenylmethyl benzoate","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","ZS2001","Sykora, Richard E.; McDonald, Lane; Spyridis, Greg T.","Triphenylmethyl benzoate","Acta Crystallographica Section E","2009","65","8","o2026","","10.1107/S160053680902889X","","","0.71073","MoKα","","0.0586","0.0363","","","0.0662","0.0704","","","","","","0.906","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222996","15.3079","0.0003","9.2915","0.0002","13.8059","0.0003","90","","90","","90","","1963.66","0.07","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>'-Bis(2,3-dimethoxybenzylidene)propane-1,3-diamine","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","BT5030","Fejfarová, Karla; Dehno Khalaji, Aliakbar; Dušek, Michal","<i>N</i>,<i>N</i>'-Bis(2,3-dimethoxybenzylidene)propane-1,3-diamine","Acta Crystallographica Section E","2009","65","9","o2288","","10.1107/S1600536809031651","","","1.54184","CuKα","","0.0248","0.0248","","","0.0767","0.0767","","","","","","1.97","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223199","7.1616","0.0003","16.4608","0.0007","8.9059","0.0003","90","","90","","90","","1049.88","0.07","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","1-naphthylamine-7-sulfonic acid monohydrate; 1,7-Cleve's acid monoydrate","8-Ammonionaphthalene-2-sulfonate monohydrate","","- C10 H11 N O4 S -","- C10 H11 N O4 S -","- C40 H44 N4 O16 S4 -","4","1","TK2500","Smith, Graham; Wermuth, Urs D.; Young, David J.","8-Ammonionaphthalene-2-sulfonate monohydrate: the zwitterionic hydrate of 1,7-Cleve's acid","Acta Crystallographica Section E","2009","65","9","o2110","","10.1107/S1600536809030396","","","0.71073","MoKα","","0.051","0.036","","","0.072","0.076","","","","","","0.91","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223209","14.6675","0.0002","5.5096","0.0001","37.9823","0.0004","90","","90","","90","","3069.43","0.08","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>Z</i>)-3-(9-Anthryl)-1-(2-thienyl)prop-2-en-1-one","","- C21 H14 O S -","- C21 H14 O S -","- C168 H112 O8 S8 -","8","2","TK2522","Fun, Hoong-Kun; Suwunwong, Thitipone; Boonnak, Nawong; Chantrapromma, Suchada","(<i>Z</i>)-3-(9-Anthryl)-1-(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","9","o2168","o2169","10.1107/S1600536809031900","","","0.71073","MoKα","","0.084","0.065","","","0.179","0.2","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223306","9.1275","0.0008","9.2323","0.0008","14.1929","0.0012","90","","90","","90","","1196","0.18","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ- oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C12 H8 Co N2 O4 -","- C12 H8 Co N2 O4 -","- C48 H32 Co4 N8 O16 -","4","1","BT5061","Chang, Yan; Zhang, Kou-Lin; Ng, Seik Weng","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2009","65","10","m1243","","10.1107/S1600536809037878","","","0.71073","MoKα","","0.0303","0.0261","","","0.0643","0.0675","","","","","","1.006","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223324","18.295","0.004","8.3924","0.0019","5.7362","0.0013","90","","90","","90","","880.7","0.3","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3,5-Dinitrobenzoyl chloride","","- C7 H3 Cl N2 O5 -","- C7 H3 Cl N2 O5 -","- C28 H12 Cl4 N8 O20 -","4","1","CI2867","Wang, Hong-Yong; Xie, Min-Hao; Luo, Shi-Neng; Zou, Pei; Liu, Ya-Ling","3,5-Dinitrobenzoyl chloride","Acta Crystallographica Section E","2009","65","10","o2460","","10.1107/S1600536809036228","","","0.71073","MoKα","","0.0408","0.0381","","","0.0951","0.0974","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223364","16.36","0.005","18.137","0.006","11.421","0.004","90","","90","","90","","3388.9","1.9","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>^1^,<i>N</i>^2^-Bis(2,6-dimethylphenyl)-<i>N</i>^1^-hydroxyformamidine <i>N</i>,<i>N</i>'-bis(2,6-dimethylphenyl)-<i>N</i>-oxidoformamidinium dichloromethane solvate","","- C35 H42 Cl2 N4 O2 -","- C35 H42 Cl2 N4 O2 -","- C140 H168 Cl8 N16 O8 -","4","1","EZ2181","Cibian, Mihaela; Derossi, Sofia; Hanan, Garry S.","<i>N</i>^1^,<i>N</i>^2^-Bis(2,6-dimethylphenyl)-<i>N</i>^1^-hydroxyformamidine <i>N</i>,<i>N</i>'-bis(2,6-dimethylphenyl)-<i>N</i>-oxidoformamidinium dichloromethane solvate","Acta Crystallographica Section E","2009","65","10","o2485","","10.1107/S1600536809036708","","","0.71073","MoKα","","0.0809","0.0485","","","0.1173","0.1356","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223396","50.544","0.006","6.3146","0.001","4.8625","0.0005","90","","90","","90","","1551.9","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-{2-[(5-Bromo-2-hydroxybenzylidene)amino]ethyl}benzenesulfonamide","","- C15 H15 Br N2 O3 S -","- C15 H15 Br N2 O3 S -","- C60 H60 Br4 N8 O12 S4 -","4","1","HB5091","Chohan, Zahid H.; Shad, Hazoor A.; Tahir, M. Nawaz; Thebo, Khalid H.","4-{2-[(5-Bromo-2-hydroxybenzylidene)amino]ethyl}benzenesulfonamide","Acta Crystallographica Section E","2009","65","10","o2450","","10.1107/S1600536809036083","","","0.71073","MoKα","","0.0561","0.048","","","0.0973","0.0998","","","","","","1.119","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223421","19.564","0.004","7.65","0.0015","8.405","0.0017","90","","90","","90","","1257.9","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-Benzoyl-3-chloroazepan-2-one","","- C13 H14 Cl N O2 -","- C13 H14 Cl N O2 -","- C52 H56 Cl4 N4 O8 -","4","1","HK2754","Liu, Hua-Quan; Fan, Dong-Mei; Wang, De-Cai; Ou-Yang, Ping-Kai","1-Benzoyl-3-chloroazepan-2-one","Acta Crystallographica Section E","2009","65","10","o2383","","10.1107/S1600536809033510","","","0.71073","MoKα","","0.0568","0.0401","","","0.099","0.1089","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223437","14.9089","0.0005","12.5934","0.0003","14.5074","0.0005","90","","90","","90","","2723.82","0.15","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","haloperidol picrate","4-(4-Chlorophenyl)-1-[3-(4-fluorobenzoyl)propyl]-4-hydroxypiperidin-1-ium 2,4,6-trinitrophenolate","","- C27 H26 Cl F N4 O9 -","- C27 H26 Cl F N4 O9 -","- C108 H104 Cl4 F4 N16 O36 -","4","1","IM2134","Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-Arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.","4-(4-Chlorophenyl)-1-[3-(4-fluorobenzoyl)propyl]-4-hydroxypiperidin-1-ium 2,4,6-trinitrophenolate (haloperidol picrate)","Acta Crystallographica Section E","2009","65","10","o2403","o2404","10.1107/S1600536809033261","","","0.71073","MoKα","","0.0518","0.0369","","","0.0738","0.0766","","","","","","0.921","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223556","12.9576","0.0003","22.6153","0.0005","5.96","0.0001","90","","90","","90","","1746.52","0.06","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","piperidin-4-one","3,3-Dimethyl-<i>cis</i>-2,6-di-<i>p</i>-tolylpiperidin-4-one","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","SJ2644","Gayathri, P.; Ilango, S. S.; Ponnuswamy, S.; Thiruvalluvar, A.; Butcher, R. J.","3,3-Dimethyl-<i>cis</i>-2,6-di-<i>p</i>-tolylpiperidin-4-one","Acta Crystallographica Section E","2009","65","10","o2445","","10.1107/S160053680903579X","","","1.54184","CuKα","","0.0397","0.0385","","","0.1047","0.1055","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223693","15.847","0.004","4.9991","0.0011","20.495","0.005","90","","90","","90","","1623.6","0.7","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-Nitro-4-(2-nitroethenyl)benzene","","- C8 H6 N2 O4 -","- C8 H6 N2 O4 -","- C64 H48 N16 O32 -","8","2","CI2942","Jing, Lin-Hai","(<i>E</i>)-1-Nitro-4-(2-nitroethenyl)benzene","Acta Crystallographica Section E","2009","65","11","o2809","","10.1107/S1600536809042561","","","0.71073","MoKα","","0.0391","0.0354","","","0.0872","0.0896","","","","","","1.129","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223721","8.202","0.0016","13.889","0.003","11.001","0.002","90","","90","","90","","1253.2","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9-[4-Hydroxy-3-(hydroxymethyl)butyl]guanine monohydrate","","- C10 H17 N5 O4 -","- C10 H17 N5 O4 -","- C40 H68 N20 O16 -","4","1","DS2005","Tang, Huang; Cheng, Feng-Jie; Li, Nan; Liu, Yan-Cheng; Chen, Zhen-Feng","9-[4-Hydroxy-3-(hydroxymethyl)butyl]guanine monohydrate","Acta Crystallographica Section E","2009","65","11","o2878","","10.1107/S1600536809043980","","","0.71073","MoKα","","0.057","0.0504","","","0.1134","0.1179","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223765","17.731","0.002","11.7528","0.0014","6.5715","0.0006","90","","90","","90","","1369.4","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(5<i>E</i>)-5-(4-Hydroxy-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one methanol monosolvate","","- C12 H13 N O4 S2 -","- C12 H13 N O4 S2 -","- C48 H52 N4 O16 S8 -","4","1","HB5118","Shahwar, Durre; Tahir, M. Nawaz; Raza, Muhammad Asam; Saddaf, Maria; Majeed, Sana","(5<i>E</i>)-5-(4-Hydroxy-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one methanol monosolvate","Acta Crystallographica Section E","2009","65","11","o2638","","10.1107/S1600536809039567","","","0.71073","MoKα","","0.0657","0.039","","","0.0622","0.07","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223807","17.443","0.003","15.739","0.003","16.823","0.003","90","","90","","90","","4618.5","1.4","98","2","98","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(μ-<i>trans</i>-1,2-Di-4-pyridylethylene- κ^2^<i>N</i>:<i>N</i>')bis[bis(<i>N</i>,<i>N</i>- diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)] chloroform solvate","","- C33 H51 Cl3 N6 S8 Zn2 -","- C33 H51 Cl3 N6 S8 Zn2 -","- C132 H204 Cl12 N24 S32 Zn8 -","4","1","HB5173","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","(μ-<i>trans</i>-1,2-Di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>')bis[bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)] chloroform solvate","Acta Crystallographica Section E","2009","65","11","m1472","m1473","10.1107/S1600536809044237","","","0.71069","MoKα","","0.036","0.034","","","0.075","0.075","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223872","20.687","0.0015","22.9179","0.0017","7.6639","0.0006","90","","90","","90","","3633.5","0.5","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Aqua{6,6'-dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}copper(II)","","- C19 H22 Cu N2 O5 -","- C19 H22 Cu N2 O5 -","- C152 H176 Cu8 N16 O40 -","8","2","IS2476","Wang, Hui","Aqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II)","Acta Crystallographica Section E","2009","65","11","m1490","","10.1107/S1600536809042755","","","0.71073","MoKα","","0.0513","0.0358","","","0.0788","0.0845","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224059","25.8466","0.0013","11.8451","0.0006","10.587","0.0005","90","","90","","90","","3241.3","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-[2-(2-Nitrophenyl)ethenyl]-8-quinolyl acetate","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C152 H112 N16 O32 -","8","2","WN2356","Zhang, Li-Yan; Huo, Yan-Ping","(<i>E</i>)-2-[2-(2-Nitrophenyl)ethenyl]-8-quinolyl acetate","Acta Crystallographica Section E","2009","65","11","o2960","","10.1107/S1600536809044158","","","0.71073","MoKα","","0.0831","0.0578","","","0.1434","0.1714","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224195","12.137","0.008","10.838","0.006","6.831","0.004","90","","90","","90","","898.6","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(3-Pyridyl)pyrrolidine-2,5-dione","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","1","FB2172","Hou, Hong-Bo; Liu, Yi-Ming; Yang, Luan-Fang","1-(3-Pyridyl)pyrrolidine-2,5-dione","Acta Crystallographica Section E","2009","65","12","o3054","","10.1107/S1600536809046522","","","0.71073","MoKα","","0.0461","0.0329","","","0.065","0.0692","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224236","4.9322","0.001","23.808","0.005","13.931","0.003","90","","90","","90","","1635.9","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Benzimidazolium 2-(2,4-dichlorophenoxy)acetate monohydrate","","- C15 H14 Cl2 N2 O4 -","- C15 H14 Cl2 N2 O4 -","- C60 H56 Cl8 N8 O16 -","4","1","HB5201","Liu, Hui-Lian; Wang, Qing-Zhong; Jian, Fang-Fang","Benzimidazolium 2-(2,4-dichlorophenoxy)acetate monohydrate","Acta Crystallographica Section E","2009","65","12","o3043","","10.1107/S1600536809045899","","","0.71073","MoKα","","0.0543","0.0473","","","0.0972","0.102","","","","","","0.983","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224239","21.3367","0.0013","7.2391","0.0004","15.1748","0.001","90","","90","","90","","2343.9","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(4-Chlorophenyl)imidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde","","- C14 H9 Cl N2 O -","- C14 H9 Cl N2 O -","- C112 H72 Cl8 N16 O8 -","8","2","HB5204","Li, Yun-Hui; Liu, Wen-Yu; Gao, Yang; Wang, Yu-Peng","2-(4-Chlorophenyl)imidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde","Acta Crystallographica Section E","2009","65","12","o3192","","10.1107/S1600536809048302","","","0.71073","MoKα","","0.0467","0.0357","","","0.0828","0.0886","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224282","18.7513","0.0007","14.103","0.0005","4.606","0.001","90","","90","","90","","1218.1","0.3","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate","","- C11 H14 Cl2 N2 O -","- C11 H14 Cl2 N2 O -","- C44 H56 Cl8 N8 O4 -","4","1","HG2592","de Souza, Marcus V. N.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate","Acta Crystallographica Section E","2009","65","12","o3120","o3121","10.1107/S160053680904834X","","","0.7107","MoKα","","0.04","0.032","","","0.062","0.065","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224313","12.1224","0.0002","13.3825","0.0002","11.9228","0.0002","90","","90","","90","","1934.21","0.05","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(2-ethoxycarbonylethyl-κ^2^<i>C</i>^1^,<i>O</i>)(2-thioxo-1,3-dithiole- 4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)tin(IV)","","- C13 H18 O4 S5 Sn -","- C13 H18 O4 S5 Sn -","- C52 H72 O16 S20 Sn4 -","4","1","IM2162","de Lima, Geraldo M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Bis(2-ethoxycarbonylethyl-κ^2^<i>C</i>^1^,<i>O</i>)(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)tin(IV)","Acta Crystallographica Section E","2009","65","12","m1635","m1636","10.1107/S1600536809048971","","","0.71069","MoKα","","0.037","0.029","","","0.061","0.064","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224317","12.3379","0.0008","21.8466","0.0016","7.5032","0.0005","90","","90","","90","","2022.4","0.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","(<i>E</i>)-1-methyl-4-(2-(naphthalen-1-yl)vinyl)pyridinium 4-chlorobenzenesulfonate","(<i>E</i>)-1-Methyl-4-[2-(1-naphthyl)vinyl]pyridinium 4-chlorobenzenesulfonate","","- C24 H20 Cl N O3 S -","- C24 H20 Cl N O3 S -","- C96 H80 Cl4 N4 O12 S4 -","4","1","IS2479","Chantrapromma, Suchada; Chanawanno, Kullapa; Fun, Hoong-Kun","(<i>E</i>)-1-Methyl-4-[2-(1-naphthyl)vinyl]pyridinium 4-chlorobenzenesulfonate","Acta Crystallographica Section E","2009","65","12","o3115","o3116","10.1107/S1600536809047734","","","0.71073","MoKα","","0.0615","0.0497","","","0.1131","0.1194","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224364","8.412","0.002","12.646","0.003","6.563","0.001","90","","90","","90","","698.2","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Methyl-4,5-dinitro-1<i>H</i>-imidazole","","- C4 H4 N4 O4 -","- C4 H4 N4 O4 -","- C16 H16 N16 O16 -","4","1","LX2116","Li, Yong-Xiang; Wang, Xiao-Jun; Wang, Jian-Long","1-Methyl-4,5-dinitro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2009","65","12","o3073","","10.1107/S1600536809047126","","","0.71073","MoKα","","0.0589","0.046","","","0.1063","0.1121","","","","","","0.946","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224390","15.973","0.002","12.6","0.001","5.2438","0.0009","90","","90","","90","","1055.4","0.2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl <i>N</i>-phenylsuccinamate","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","PK2203","Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut","Methyl <i>N</i>-phenylsuccinamate","Acta Crystallographica Section E","2009","65","12","o3064","","10.1107/S160053680904690X","","","0.71073","MoKα","","0.092","0.0487","","","0.0828","0.0959","","","","","","1.126","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224422","12.8783","0.0006","11.3108","0.0006","8.6535","0.0004","90","","90","","90","","1260.5","0.11","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-5-methylisoxazole-4-carbohydrazide monohydrate","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","1","RZ2385","Jin, Yan-Xian; Yan, Zhen-Zhong; Yang, Jian-Guo; Zhong, Ai-Guo; Pan, Fu-You","<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-5-methylisoxazole-4-carbohydrazide monohydrate","Acta Crystallographica Section E","2009","65","12","o3113","","10.1107/S1600536809048028","","","0.71073","MoKα","","0.0381","0.0323","","","0.0874","0.0922","","","","","","0.889","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224448","13.5934","0.001","10.2381","0.0008","14.7871","0.0011","90","","90","","90","","2057.9","0.3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","{2-Ethoxy-6-[2-(piperidinium-1-yl)ethyliminomethyl]phenolato}diiodidozinc(II)","","- C16 H24 I2 N2 O2 Zn -","- C16 H24 I2 N2 O2 Zn -","- C64 H96 I8 N8 O8 Zn4 -","4","1","SJ2684","Li, Jing-Yan","{2-Ethoxy-6-[2-(piperidinium-1-yl)ethyliminomethyl]phenolato}diiodidozinc(II)","Acta Crystallographica Section E","2009","65","12","m1611","","10.1107/S1600536809048491","","","0.71073","MoKα","","0.0363","0.0284","","","0.0642","0.0684","","","","","","1.017","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224474","20.797","0.003","14.1641","0.0016","13.7952","0.001","90","","90","","90","","4063.7","0.8","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Dichlorido[<i>N</i>'-(3,5-dichloro-2-hydroxybenzylidene)pyridine-4- carbohydrazide-κ<i>N</i>](1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II) methanol monosolvate","","- C39 H30 Cl6 Co N8 O5 -","- C39 H30 Cl6 Co N8 O5 -","- C156 H120 Cl24 Co4 N32 O20 -","4","1","VM2009","Wang, Yuan; Liu, Zheng; Liu, Baoyu","Dichlorido[<i>N</i>'-(3,5-dichloro-2-hydroxybenzylidene)pyridine-4-carbohydrazide-κ<i>N</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) methanol monosolvate","Acta Crystallographica Section E","2009","65","12","m1594","","10.1107/S1600536809047680","","","0.71073","MoKα","","0.119","0.056","","","0.1338","0.1701","","","","","","1.033","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224546","12.6749","0.0004","4.9666","0.0001","22.7299","0.0006","90","","90","","90","","1430.87","0.07","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-Hydroxy-<i>N</i>'-(2-hydroxybenzylidene)-2-naphthohydrazide","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","BG2308","Monfared, Hassan Hosseini; Bikas, Rahman; Mayer, Peter","(<i>E</i>)-3-Hydroxy-<i>N</i>'-(2-hydroxybenzylidene)-2-naphthohydrazide","Acta Crystallographica Section E","2010","66","1","o236","o237","10.1107/S1600536809053793","","","0.71073","MoKα","","0.0473","0.0364","","","0.0893","0.0948","","","","","","1.093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224585","11.485","0.002","13.033","0.003","7.3333","0.0015","90","","90","","90","","1097.7","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Benzyloxy-4-chlorobenzene","","- C13 H11 Cl O -","- C13 H11 Cl O -","- C52 H44 Cl4 O4 -","4","1","CI2976","Wang, Guo-Xi","1-Benzyloxy-4-chlorobenzene","Acta Crystallographica Section E","2010","66","1","o50","","10.1107/S160053680905096X","","","0.71073","MoKα","","0.0582","0.0507","","","0.111","0.1149","","","","","","1.158","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224603","13.385","0.004","4.9005","0.0015","31.89","0.01","90","","90","","90","","2091.8","1.1","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>'-(3,4,5-Trimethoxybenzylidene)-2-(8- quinolyloxy)acetohydrazide methanol solvate","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C88 H100 N12 O24 -","4","1","CV2668","Zeng, Ling","(<i>E</i>)-<i>N</i>'-(3,4,5-Trimethoxybenzylidene)-2-(8-quinolyloxy)acetohydrazide methanol solvate","Acta Crystallographica Section E","2010","66","1","o23","","10.1107/S1600536809051113","","","0.71073","MoKα","","0.077","0.0427","","","0.086","0.0992","","","","","","1.083","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224781","26.537","0.003","17.7337","0.0019","6.8457","0.0007","90","","90","","90","","3221.6","0.6","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Anilino-<i>N</i>-<i>p</i>-tolylbenzamide","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C160 H144 N16 O8 -","8","2","SU2143","Yang, Xing-Xing; Liu, Guan-Feng; Qin, Da-Bin","3-Anilino-<i>N</i>-<i>p</i>-tolylbenzamide","Acta Crystallographica Section E","2010","66","1","o116","","10.1107/S1600536809049939","","","0.71073","MoKα","","0.0349","0.0338","","","0.0738","0.0744","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224858","8.6736","0.0011","13.4578","0.0016","17.547","0.002","90","","90","","90","","2048.2","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Acetyl-<i>t</i>-3-ethyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)piperidin-4-one","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","BT5144","Ravichandran, K.; Ponnuswamy, S.; Rajesh, R.; Mohanraj, V.; Ponnuswamy, M. N.","1-Acetyl-<i>t</i>-3-ethyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)piperidin-4-one","Acta Crystallographica Section E","2010","66","2","o275","","10.1107/S1600536809054737","","","0.71073","MoKα","","0.0658","0.0459","","","0.1242","0.1376","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2224877","9.1947","0.0006","12.9645","0.0007","9.5213","0.0006","90","","90","","90","","1134.98","0.12","299","2","299","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2,2,2-Tribromo-<i>N</i>-(2-chlorophenyl)acetamide","","- C8 H5 Br3 Cl N O -","- C8 H5 Br3 Cl N O -","- C32 H20 Br12 Cl4 N4 O4 -","4","1","BT5167","Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut","2,2,2-Tribromo-<i>N</i>-(2-chlorophenyl)acetamide","Acta Crystallographica Section E","2010","66","2","o386","","10.1107/S1600536810001467","","","0.71073","MoKα","","0.0321","0.0271","","","0.064","0.0655","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224882","20.1647","0.0004","5.0223","0.0001","21.8791","0.0005","90","","90","","90","","2215.77","0.08","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(Phenylimino)indolin-2-one","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","2","BT5177","Al Subari, Abdusalam; Bouhfid, Rachid; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","3-(Phenylimino)indolin-2-one","Acta Crystallographica Section E","2010","66","2","o453","","10.1107/S160053681000259X","","","0.71073","MoKα","","0.0556","0.0342","","","0.0952","0.1184","","","","","","1.097","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224890","14.6208","0.0011","4.3503","0.0003","16.9023","0.0013","90","","90","","90","","1075.07","0.14","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Dibenzo[<i>b</i>,<i>e</i>]thiepin-11(6<i>H</i>)-one","","- C14 H10 O S -","- C14 H10 O S -","- C56 H40 O4 S4 -","4","1","CI2983","Jasinski, Jerry P.; Hakim Al-arique, Q. N. M.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.","Dibenzo[<i>b</i>,<i>e</i>]thiepin-11(6<i>H</i>)-one","Acta Crystallographica Section E","2010","66","2","o350","","10.1107/S1600536810000796","","","0.71073","MoKα","","0.04","0.0391","","","0.1033","0.1039","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224920","11.2438","0.0002","20.1671","0.0003","23.6474","0.0003","90","","90","","90","","5362.16","0.14","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethylammonium 5,5-dimethyl-3-oxo-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-\ octahydro-1<i>H</i>-xanthen-9-yl)cyclohex-1-enolate 9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3,3,6,6-tetramethyl-\ 3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione <i>n</i>-hexane hemisolvate monohydrate","","- C55 H80 N O11 -","- C55 H80 N O11 -","- C220 H320 N4 O44 -","4","1","CI5021","Hasanudin, Noorhafizah; Abdul Rahim, Aisyah Saad; Muhamad Salhimi, Salizawati; Goh, Jia Hao; Fun, Hoong-Kun","Dimethylammonium 5,5-dimethyl-3-oxo-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthen-9-yl)cyclohex-1-enolate 9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione <i>n</i>-hexane hemisolvate monohydrate","Acta Crystallographica Section E","2010","66","2","o470","o471","10.1107/S1600536810003107","","","0.71073","MoKα","","0.0699","0.0522","","","0.1329","0.145","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224932","20.253","0.004","10.732","0.002","17.228","0.003","90","","90","","90","","3744.6","1.2","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[diaquacopper(II)]-bis(μ~2~-di-4-pyridyl disulfide-κ^2^<i>N</i>:</i>N</i>')] bis(hydrogen phthalate) monohydrate]","","- C36 H32 Cu N4 O11 S4 -","- C36 H32 Cu N4 O11 S4 -","- C144 H128 Cu4 N16 O44 S16 -","4","1","CV2686","Zhu, Hong-Lin; Zhang, Jie; Lin, Jian-Li","<i>catena</i>-Poly[[[diaquacopper(II)]-bis(μ~2~-di-4-pyridyl disulfide-κ^2^<i>N</i>:<i>N</i>')] bis(hydrogen phthalate) monohydrate]","Acta Crystallographica Section E","2010","66","2","m185","","10.1107/S1600536810001716","","","0.71073","MoKα","","0.079","0.0446","","","0.0723","0.081","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224987","13.6545","0.0019","3.929","0.0006","13.0275","0.0018","90","","90","","90","","698.91","0.17","100","0.1","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","4,6-Dichloro-5-methoxypyrimidine","","- C5 H4 Cl2 N2 O -","- C5 H4 Cl2 N2 O -","- C20 H16 Cl8 N8 O4 -","4","1","HB5305","Fun, Hoong-Kun; Yeap, Chin Sing; Chidan Kumar, C. S.; Yathirajan, H. S.; Siddegowda, M. S.","4,6-Dichloro-5-methoxypyrimidine","Acta Crystallographica Section E","2010","66","2","o408","","10.1107/S1600536810001637","","","0.71073","MoKα","","0.0277","0.0238","","","0.0515","0.0541","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225069","19.4356","0.0004","11.0542","0.0004","40.4107","0.0013","90","","90","","90","","8682","0.5","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(10,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)- <i>N</i>,<i>N</i>,2-trimethylpropan-1-aminium hydrogen maleate","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C384 H480 N32 O64 -","16","4","NG2715","Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-Arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.","Trimipraminium maleate","Acta Crystallographica Section E","2010","66","2","o366","o367","10.1107/S1600536810000280","","","1.54178","CuKα","","0.0473","0.0378","","","0.0921","0.0953","","","","","","0.962","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225225","21.332","0.002","11.7577","0.001","20.262","0.0017","90","","90","","90","","5082","0.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","Hexa-acetonitrile ruthenium(II) bis(hexabromocarboranate) acetonitrile solvate","Hexakis(acetonitrile-κ<i>N</i>)ruthenium(II) bis(hexabromocarbadodecaborate) acetonitrile solvate","","- C16 H33 B22 Br12 N7 Ru -","- C16 H33 B22 Br12 N7 Ru -","- C64 H132 B88 Br48 N28 Ru4 -","4","1","EZ2197","Masland, Joshua; Diaz, Jason; Eady, Shawn; Lobkovsky, Emil; Larsen, Anna","Hexakis(acetonitrile-κ<i>N</i>)ruthenium(II) bis(hexabromocarbadodecaborate) acetonitrile solvate","Acta Crystallographica Section E","2010","66","3","m325","m326","10.1107/S1600536810006252","","","0.71073","Mo-Kα","","0.0492","0.033","","","0.0585","0.0622","","","","","","0.971","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2225238","11.9486","0.0004","18.8134","0.0009","6.4435","0.0003","90","","90","","90","","1448.46","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H15 F O2 S -","- C17 H15 F O2 S -","- C68 H60 F4 O8 S4 -","4","1","FK2013","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-(4-Fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2010","66","3","o586","","10.1107/S1600536810004836","","","0.71073","MoKα","","0.0294","0.0288","","","0.0751","0.0759","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225246","12.0034","0.0005","19.7455","0.0007","6.4918","0.0003","90","","90","","90","","1538.64","0.11","169","2","169","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Fluorophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O2 S -","- C72 H68 F4 O8 S4 -","4","1","GW2077","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-(4-Fluorophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2010","66","3","o643","","10.1107/S1600536810005702","","","0.71073","MoKα","","0.0332","0.0315","","","0.0813","0.0822","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225286","16.3574","0.0012","9.5246","0.0007","18.77","0.0013","90","","90","","90","","2924.3","0.4","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-\ κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C22 H36 N6 Ni O12 -","- C22 H36 N6 Ni O12 -","- C88 H144 N24 Ni4 O48 -","4","1","HY2277","Li, Shi-Jie; Yan, Jian-Bin; Song, Wen-Dong; Wang, Hao; Miao, Dong-Liang","Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2010","66","3","m280","","10.1107/S1600536810004691","","","0.71073","MoKα","","0.074","0.0482","","","0.1149","0.1331","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225334","9.9666","0.0006","18.0379","0.0011","5.7307","0.0004","90","","90","","90","","1030.25","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-Benzylpropan-2-aminium chloride","","- C10 H16 Cl N -","- C10 H16 Cl N -","- C40 H64 Cl4 N4 -","4","1","NG2732","Pourayoubi, Mehrdad; Negari, Monireh","<i>N</i>-Benzylpropan-2-aminium chloride","Acta Crystallographica Section E","2010","66","3","o708","","10.1107/S1600536810006707","","","0.71073","MoKα","","0.0221","0.0214","","","0.0567","0.0572","","","","","","1.068","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225430","17.5852","0.0013","11.301","0.0009","5.1264","0.0004","90","","90","","90","","1018.77","0.14","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-Amino-5-bromopyridinium trifluoroacetate","","- C7 H6 Br F3 N2 O2 -","- C7 H6 Br F3 N2 O2 -","- C28 H24 Br4 F12 N8 O8 -","4","1","CI5042","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-bromopyridinium trifluoroacetate","Acta Crystallographica Section E","2010","66","4","o775","","10.1107/S1600536810008184","","","0.71073","MoKα","","0.0923","0.0388","","","0.0841","0.0993","","","","","","0.925","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225470","6.5645","0.0018","7.123","0.0019","12.489","0.004","90","","90","","90","","584","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-(Methylamino)pyridine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","BT5213","Ng, Seik Weng","4-(Methylamino)pyridine","Acta Crystallographica Section E","2010","66","4","o823","","10.1107/S1600536810008986","","","0.71073","MoKα","","0.0711","0.0444","","","0.0886","0.1023","","","","","","0.994","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225570","9.3537","0.0007","23.6045","0.0019","7.1543","0.0006","90","","90","","90","","1579.6","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10- hexaazatricyclo[7.3.0.0^2,6^]dodeca-1(9),2,4,7,11-pentaene","","- C19 H14 N6 O -","- C19 H14 N6 O -","- C76 H56 N24 O4 -","4","1","HB5355","Jotani, Mukesh M.; Shah, Rina D.; Tiekink, Edward R. T.","12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.0^2,6^]dodeca-1(9),2,4,7,11-pentaene","Acta Crystallographica Section E","2010","66","4","o805","","10.1107/S160053681000869X","","","0.71073","MoKα","","0.06","0.041","","","0.119","0.142","","","","","","1.12","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225689","14.3963","0.0007","8.6206","0.0005","15.1609","0.0008","90","","90","","90","","1881.54","0.17","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 1-<i>tert</i>-butyl-2-(4-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","WN2378","Arumugam, Natarajan; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad; Hemamalini, Madhukar; Fun, Hoong-Kun","Ethyl 1-<i>tert</i>-butyl-2-(4-methoxyphenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2010","66","4","o776","o777","10.1107/S1600536810007956","","","0.71073","MoKα","","0.0453","0.0371","","","0.1018","0.1133","","","","","","1.131","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225733","12.389","0.003","6.45","0.0012","13.305","0.003","90","","90","","90","","1063.2","0.4","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,5-Diaminotetrazolium chloride","","- C H5 Cl N6 -","- C H5 Cl N6 -","- C8 H40 Cl8 N48 -","8","2","SU2159","Meng, Ling-Qiao; Du, Zhi-Ming; He, Chun-Lin; Cong, Xiao-Min; Yang, Shuai; Zhao, Lin-Shuang","1,5-Diaminotetrazolium chloride","Acta Crystallographica Section E","2010","66","4","o984","","10.1107/S1600536810009633","","","0.71073","MoKα","","0.0259","0.0247","","","0.0599","0.0605","","","","","","1.067","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225804","19.772","0.002","11.894","0.001","5.6368","0.0005","90","","90","","90","","1325.6","0.2","299","2","299","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-Benzoyl-2-methylbenzenesulfonamide","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","CI5072","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","<i>N</i>-Benzoyl-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2010","66","5","o1024","","10.1107/S1600536810012067","","","0.71073","MoKα","","0.0641","0.0525","","","0.1247","0.1324","","","","","","1.18","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225860","7.246","0.0006","20.548","0.002","8.571","0.0008","90","","90","","90","","1276.1","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","Methyl 2-ethyl-4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","Methyl 2-ethyl-4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","","- C12 H13 N O5 S -","- C12 H13 N O5 S -","- C48 H52 N4 O20 S4 -","4","1","HB5390","Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Khan, Islam Ullah","Methyl 2-ethyl-4-hydroxy-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide","Acta Crystallographica Section E","2010","66","5","o1070","","10.1107/S1600536810012365","","","0.71073","MoKα","","0.1952","0.0541","","","0.074","0.1017","","","","","","0.95","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225867","15.6509","0.0012","5.9692","0.0005","15.7967","0.0013","90","","90","","90","","1475.8","0.2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(3a<i>R</i>*,7a<i>S</i>*)-1-(<i>p</i>-Tolylsulfonyl)perhydroindol-2-one","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","HB5400","Fang, Lei; Fang, Xu-Bin; Chen, Lei","(3a<i>R</i>*,7a<i>S</i>*)-1-(<i>p</i>-Tolylsulfonyl)perhydroindol-2-one","Acta Crystallographica Section E","2010","66","5","o1109","","10.1107/S1600536810013139","","","0.71073","MoKα","","0.0441","0.0385","","","0.0974","0.1018","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225875","9.075","0.009","15.496","0.015","14.125","0.013","90","","90","","90","","1986","3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[3,5-Bis(ethoxycarbonyl)-2,6-dimethyl-4-pyridyl]pyridinium nitrate","","- C18 H21 N3 O7 -","- C18 H21 N3 O7 -","- C72 H84 N12 O28 -","4","1","HB5413","Li, Yumei","4-[3,5-Bis(ethoxycarbonyl)-2,6-dimethyl-4-pyridyl]pyridinium nitrate","Acta Crystallographica Section E","2010","66","5","o1224","","10.1107/S1600536810015035","","","0.71073","MoKα","","0.0571","0.0434","","","0.1031","0.1147","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226036","19.0992","0.0006","18.0097","0.0005","10.1288","0.0003","90","","90","","90","","3484.01","0.18","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-Acetato-bis(μ-2-{[(3-chloro-2-hydroxypropyl)(2- pyridylmethyl)amino]methyl}phenolato)dinickel(II) chloride","","- C34 H39 Cl3 N4 Ni2 O6 -","- C34 H39 Cl3 N4 Ni2 O6 -","- C136 H156 Cl12 N16 Ni8 O24 -","4","1","ZS2035","Tiekink, Edward R. T.; Wardell, James L.; Fernandes, Christiane; Horn, Jr, Adolfo; Skakle, Janet M. S.","μ-Acetato-bis(μ-2-{[(3-chloro-2-hydroxypropyl)(2-pyridylmethyl)amino]methyl}phenolato)dinickel(II) chloride","Acta Crystallographica Section E","2010","66","5","m566","m567","10.1107/S160053681001442X","","","0.71073","MoKα","","0.074","0.049","","","0.117","0.152","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226043","21.393","0.004","5.9296","0.0012","10.798","0.002","90","","90","","90","","1369.7","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Ferrocenylmethyl)dimethylammonium bromide","","- C13 H18 Br Fe N -","- C13 H18 Br Fe N -","- C52 H72 Br4 Fe4 N4 -","4","1","BI2381","Wang, Bo","(Ferrocenylmethyl)dimethylammonium bromide","Acta Crystallographica Section E","2010","66","6","m686","","10.1107/S1600536810018453","","","0.71073","MoKα","","0.048","0.0376","","","0.0743","0.0778","","","","","","1.079","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226045","18.5545","0.001","15.3852","0.0008","5.3367","0.0004","90","","90","","90","","1523.44","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-(3-Nitrophenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide","","- C15 H11 N5 O3 S -","- C15 H11 N5 O3 S -","- C60 H44 N20 O12 S4 -","4","1","BQ2210","Pervez, Humayun; Iqbal, Mohammad S.; Saira, Naveeda; Yaqub, Muhammad; Tahir, M. Nawaz","4-(3-Nitrophenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2010","66","6","o1405","","10.1107/S1600536810017964","","","0.71073","MoKα","","0.0649","0.0361","","","0.0832","0.0962","","","","","","0.996","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226112","16.332","0.001","20.6486","0.0013","9.0164","0.0005","90","","90","","90","","3040.6","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Poly[[μ-1,2-bis(diphenylphosphanyl)-1,2-diethylhydrazine]-μ~4~-nitrato-μ~2~-disilver(I)]","","- C28 H30 Ag2 N4 O6 P2 -","- C28 H30 Ag2 N4 O6 P2 -","- C112 H120 Ag8 N16 O24 P8 -","4","1","FK2018","Kriel, Frederik H.; Fernandes, Manuel A.; Coates, Judy","Poly[[μ~2~-1,2-bis(diphenylphosphanyl)-1,2-diethylhydrazine]-μ~4~-nitrato-μ~2~-nitrato-silver(I)]","Acta Crystallographica Section E","2010","66","6","m710","","10.1107/S1600536810019094","","","0.71073","MoKα","","0.0818","0.0464","","","0.1116","0.1607","","","","","","1.007","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226124","15.182","0.008","11.756","0.006","7.809","0.004","90","","90","","90","","1393.7","1.2","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[(<i>E</i>)-(2-Methoxyphenyl)iminomethyl]-<i>N</i>,<i>N</i>-dimethylaniline","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","HB5420","Liu, Shan-Bin; Bi, Cai-Feng; Wang, Qiang; Zuo, Jian; Fan, Yu-Hua","4-[(<i>E</i>)-(2-Methoxyphenyl)iminomethyl]-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2010","66","6","o1361","","10.1107/S1600536810017228","","","0.71073","MoKα","","0.0814","0.0433","","","0.1006","0.1232","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226329","12.5098","0.0004","13.1453","0.0005","17.5292","0.0007","90","","90","","90","","2882.59","0.18","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-Hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","WM2348","Raza, Abdul Rauf; Sultan, Aeysha; Tahir, M. Nawaz","4-Hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one","Acta Crystallographica Section E","2010","66","6","o1465","","10.1107/S1600536810019112","","","0.71073","MoKα","","0.0892","0.0479","","","0.098","0.1145","","","","","","0.994","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226616","24.1594","0.0003","13.8501","0.0002","5.2173","0.0001","90","","90","","90","","1745.76","0.05","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","hydrazine","(<i>E</i>)-1-Diphenylmethylidene-2-[(1<i>H</i>-indol-3-yl)methylidene]hydrazine","","- C22 H17 N3 -","- C22 H17 N3 -","- C88 H68 N12 -","4","1","NK2037","Archana, R.; Anbazhagan, R.; Sankaran, K. R.; Thiruvalluvar, A.; Butcher, R. J.","(<i>E</i>)-1-Diphenylmethylidene-2-[(1<i>H</i>-indol-3-yl)methylidene]hydrazine","Acta Crystallographica Section E","2010","66","7","o1586","","10.1107/S1600536810020702","","","1.54184","CuKα","","0.0337","0.0323","","","0.0904","0.0917","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226632","13.451","0.003","19.847","0.004","6.8596","0.0015","90","","90","","90","","1831.3","0.7","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}pyridin-2-amine monohydrate","","- C18 H26 N4 O2 -","- C18 H26 N4 O2 -","- C72 H104 N16 O8 -","4","1","PV2288","Jiang, Quan-Fu; Lu, Chun-Xiong","<i>N</i>-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}pyridin-2-amine monohydrate","Acta Crystallographica Section E","2010","66","7","o1727","","10.1107/S1600536810022816","","","0.71073","MoKα","","0.0503","0.0416","","","0.0871","0.0911","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226664","14.5368","0.0008","7.0085","0.0003","12.5373","0.0005","90","","90","","90","","1277.31","0.1","290","2","290","2","","","","","","","","3","P n a 21","P 2c -2n","33","","9-Ethynyl-1,2-dimethyl-1,2-dicarba-<i>closo</i>-dodecaborane","","- C6 H16 B10 -","- C6 H16 B10 -","- C24 H64 B40 -","4","1","SI2268","Finze, Maik; Reiss, Guido J.","9-Ethynyl-1,2-dimethyl-1,2-dicarba-<i>closo</i>-dodecaborane (1,2-Me~2~-9-HC[tripleC-<i>closo</i>-1,2-C~2~B~10~H~9~)","Acta Crystallographica Section E","2010","66","7","o1709","o1710","10.1107/S1600536810022440","","","0.71073","MoKα","","0.0608","0.056","","","0.103","0.1043","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226722","12.5623","0.0017","7.3222","0.001","15.462","0.002","90","","90","","90","","1422.3","0.3","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","10-Hydroxy-10-(1,3-thiazol-2-ylmethyl)phenanthren-9(10<i>H</i>)-one","","- C18 H13 N O2 S -","- C18 H13 N O2 S -","- C72 H52 N4 O8 S4 -","4","1","WN2393","Fun, Hoong-Kun; Goh, Jia Hao; Liu, Yang; Zhang, Yan","10-Hydroxy-10-(1,3-thiazol-2-ylmethyl)phenanthren-9(10<i>H</i>)-one","Acta Crystallographica Section E","2010","66","7","o1683","o1684","10.1107/S1600536810022439","","","0.71073","MoKα","","0.0299","0.028","","","0.0728","0.0741","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226739","19.9164","0.0004","8.0173","0.0001","16.3575","0.0003","90","","90","","90","","2611.9","0.08","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(nitrato- κ^2^<i>O</i>,<i>O</i>')lead(II)","","- C28 H24 N6 O6 Pb -","- C28 H24 N6 O6 Pb -","- C112 H96 N24 O24 Pb4 -","4","1","XU2779","Shen, Fwu Ming; Lush, Shie Fu","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')lead(II)","Acta Crystallographica Section E","2010","66","7","m805","m806","10.1107/S1600536810022312","","","0.71073","MoKα","","0.03","0.0207","","","0.039","0.0399","","","","","","0.908","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226797","7.0771","0.0002","17.3485","0.0004","6.9672","0.0002","90","","90","","90","","855.41","0.04","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","7-Hydroxy-6-methoxy-2<i>H</i>-chromen-2-one","","- C10 H8 O4 -","- C10 H8 O4 -","- C40 H32 O16 -","4","1","BT5305","Beh, Hooi-Kheng; Ismail, Zhari; Asmawi, Mohd Zaini; Loh, Wan-Sin; Fun, Hoong-Kun","7-Hydroxy-6-methoxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2010","66","8","o2138","","10.1107/S1600536810029296","","","0.71073","MoKα","","0.0425","0.0374","","","0.0904","0.0937","","","","","","1.069","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226849","11.1369","0.0019","18.913","0.003","4.0311","0.0007","90","","90","","90","","849.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Amino-2,8-dimethyl-6<i>H</i>-pyrimido[1,2-<i>a</i>][1,3,5]triazin-6-one","","- C8 H9 N5 O -","- C8 H9 N5 O -","- C32 H36 N20 O4 -","4","1","EZ2220","Sachdeva, Nikhil; Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Chui, Wai Keung","4-Amino-2,8-dimethyl-6<i>H</i>-pyrimido[1,2-<i>a</i>][1,3,5]triazin-6-one","Acta Crystallographica Section E","2010","66","8","o2050","","10.1107/S1600536810027522","","","0.71073","MoKα","","0.0588","0.0527","","","0.1137","0.1169","","","","","","1.145","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226874","11.4772","0.0011","12.9996","0.0012","7.2032","0.0006","90","","90","","90","","1074.71","0.17","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-(Benzyloxy)benzaldehyde","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","GW2083","Kennedy, Alan R.; Kipkorir, Zaccheus R.; Muhanji, Claire I.; Okoth, Maurice O.","4-(Benzyloxy)benzaldehyde","Acta Crystallographica Section E","2010","66","8","o2110","","10.1107/S1600536810027200","","","0.71073","MoKα","","0.0623","0.0388","","","0.0673","0.0714","","","","","","0.912","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226900","21.37","0.012","3.99","0.002","28.939","0.015","90","","90","","90","","2468","2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Amino-5-bromopyridine‒4-hydroxybenzoic acid (1/1)","","- C12 H11 Br N2 O3 -","- C12 H11 Br N2 O3 -","- C96 H88 Br8 N16 O24 -","8","2","HB5539","Quah, Ching Kheng; Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-bromopyridine‒4-hydroxybenzoic acid (1/1)","Acta Crystallographica Section E","2010","66","8","o1935","o1936","10.1107/S1600536810025924","","","0.71073","MoKα","","0.0777","0.0571","","","0.1361","0.1479","","","","","","1.095","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226975","9.7427","0.0008","21.4182","0.0008","6.445","0.002","90","","90","","90","","1344.9","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2<i>Z</i>,<i>N</i>'<i>E</i>)-<i>N</i>'-[(2-Hydroxy-1- naphthyl)methylidene]furan-2-carbohydrazonic acid","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","JJ2034","Bikas, Rahman; Hosseini Monfared, Hassan; Bijanzad, Keyvan; Koroglu, Ahmet; Kazak, Canan","(2<i>Z</i>,<i>N</i>'<i>E</i>)-<i>N</i>'-[(2-Hydroxy-1-naphthyl)methylidene]furan-2-carbohydrazonic acid","Acta Crystallographica Section E","2010","66","8","o2073","","10.1107/S1600536810027935","","","0.71073","MoKα","","0.0972","0.0524","","","0.0837","0.0951","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227007","24.341","0.005","5.253","0.001","7.824","0.002","90","","90","","90","","1000.4","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Hydroxyanilinium perchlorate dihydrate","","- C6 H12 Cl N O7 -","- C6 H12 Cl N O7 -","- C24 H48 Cl4 N4 O28 -","4","1","LX2151","Fu, Xue-qun","4-Hydroxyanilinium perchlorate dihydrate","Acta Crystallographica Section E","2010","66","8","o1920","","10.1107/S1600536810025365","","","0.71073","MoKα","","0.0552","0.0484","","","0.0939","0.0969","","","","","","1.112","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227212","16.6907","0.0002","8.7031","0.0001","12.5718","0.0002","90","","90","","90","","1826.19","0.04","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) carbonate iodide tetrahydrate","","- C7 H32 Co I N6 O7 -","- C7 H32 Co I N6 O7 -","- C28 H128 Co4 I4 N24 O28 -","4","1","BT5324","Brewer, Greg; Butcher, Ray J.; Jasinski, Jerry P.","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) carbonate iodide tetrahydrate","Acta Crystallographica Section E","2010","66","9","m1148","m1149","10.1107/S1600536810033143","","","0.71073","MoKα","","0.0326","0.023","","","0.0465","0.0481","","","","","","0.965","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227235","33.78","0.007","8.2802","0.0017","7.3661","0.0015","90","","90","","90","","2060.3","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","bis(hinokitiolato-O,O')lead(II)","<i>catena</i>-Poly[(μ~3~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-\ 1-onato)(μ~2~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-\ 1-onato)lead(II)]","","- C20 H22 O4 Pb -","- C20 H22 O4 Pb -","- C80 H88 O16 Pb4 -","4","1","BT5353","Lyczko, Krzysztof; Lyczko, Monika; Starosta, Wojciech","<i>catena</i>-Poly[(μ~3~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-onato)(μ~2~-2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-onato)lead(II)]","Acta Crystallographica Section E","2010","66","11","m1395","m1396","10.1107/S1600536810039978","","","0.71073","MoKα","","0.087","0.0318","","","0.0805","0.0929","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227329","12.4352","0.0004","17.6564","0.0005","5.0839","0.0001","90","","90","","90","","1116.23","0.05","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","2-Hydroxy-3-formyl-7-methoxycarbazole","2-Hydroxy-7-methoxy-9<i>H</i>-carbazole-3-carbaldehyde","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","CI5167","Fun, Hoong-Kun; Maneerat, Wisanu; Laphookhieo, Surat; Chantrapromma, Suchada","2-Hydroxy-7-methoxy-9<i>H</i>-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2010","66","9","o2418","o2419","10.1107/S1600536810033805","","","1.54178","CuKα","","0.0368","0.0304","","","0.0791","0.0966","","","","","","1.308","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227428","14.164","0.0013","9.136","0.001","27.459","0.003","90","","90","","90","","3553.3","0.6","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>rac</i>-6-Hydroxy-4-(4-nitrophenyl)-5-(2-thienylcarbonyl)-6- (trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1<i>H</i>)-one monohydrate","","- C16 H14 F3 N3 O6 S -","- C16 H14 F3 N3 O6 S -","- C128 H112 F24 N24 O48 S8 -","8","2","FJ2348","Zhang, Jian-Li; Wang, Hong-Sheng; Niu, Yu-Jiao; Zhu, Feng-Xiang","<i>rac</i>-6-Hydroxy-4-(4-nitrophenyl)-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2010","66","11","o2932","o2933","10.1107/S1600536810041589","","","0.71075","MoKα","","0.0394","0.0373","","","0.0897","0.0912","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227466","7.2948","0.0006","12.0703","0.0011","10.8869","0.0008","90","","90","","90","","958.6","0.14","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","7-Chloro-1,2-dihydrofuro[2,3-<i>c</i>]isoquinolin-5-amine","","- C11 H9 Cl N2 O -","- C11 H9 Cl N2 O -","- C44 H36 Cl4 N8 O4 -","4","1","GK2312","Okuda, Kensuke; Hirota, Takashi; Sasaki, Kenji; Ishida, Hiroyuki","7-Chloro-1,2-dihydrofuro[2,3-<i>c</i>]isoquinolin-5-amine","Acta Crystallographica Section E","2010","66","11","o2949","","10.1107/S160053681004273X","","","0.71075","MoKα","","0.0352","0.0309","","","0.0782","0.0828","","","","","","1.113","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227476","7.946","0.0016","25.945","0.005","5.343","0.0011","90","","90","","90","","1101.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","7'-Methyl-5'-oxo-2',3'-dihydrospiro[1,3-dioxolane-2,1'(5'<i>H</i>)- indolizine]-6'-carbonitrile","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","HB5573","Wang, Kai; Yang, Wen-ge; Wang, Lu-Lu; Zhu, Jing; Hu, Yong-hong","7'-Methyl-5'-oxo-2',3'-dihydrospiro[1,3-dioxolane-2,1'(5'<i>H</i>)-indolizine]-6'-carbonitrile","Acta Crystallographica Section E","2010","66","9","o2431","","10.1107/S160053681003285X","","","0.71073","MoKα","","0.0678","0.0455","","","0.1002","0.1119","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227544","22.884","0.002","3.9402","0.0004","13.5696","0.0013","90","","90","","90","","1223.5","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-{[(<i>E</i>)-1,3-Benzodioxol-5-yl]methylideneamino}benzoic acid","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","HB5653","Tahir, M. Nawaz; Shad, Hazoor Ahmad; Khan, Muhammad Naeem; Tariq, Muhammad Ilyas","2-{[(<i>E</i>)-1,3-Benzodioxol-5-yl]methylideneamino}benzoic acid","Acta Crystallographica Section E","2010","66","10","o2672","","10.1107/S1600536810038420","","","0.71073","MoKα","","0.0669","0.0492","","","0.1086","0.1221","","","","","","1.116","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227572","24.706","0.005","5.689","0.0011","5.209","0.001","90","","90","","90","","732.1","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Chloroindoline-2,3-dione","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C32 H16 Cl4 N4 O8 -","4","1","HB5688","Wei, Wen-Bin; Tian, Shuo; Zhou, Hao; Sun, Jie; Wang, Hai-Bo","5-Chloroindoline-2,3-dione","Acta Crystallographica Section E","2010","66","11","o3024","","10.1107/S1600536810042522","","","0.71073","MoKα","","0.0516","0.0374","","","0.0942","0.1015","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227679","18.4662","0.0006","18.529","0.0005","9.8939","0.0003","90","","90","","90","","3385.3","0.18","174","2","174","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Poly[[diaquatris(μ~2~-3-methylpyridine-2-carboxylato)(3-methylpyridine- 2-carboxylato)sodiumterbium(III)] ethanol monosolvate monohydrate]","","- C30 H36 N4 Na O12 Tb -","- C30 H36 N4 Na O12 Tb -","- C120 H144 N16 Na4 O48 Tb4 -","4","1","IS2603","Lee, Taewoo; Kang, Sung Kwon","Poly[[diaquatris(μ~2~-3-methylpyridine-2-carboxylato)(3-methylpyridine-2-carboxylato)sodiumterbium(III)] ethanol monosolvate monohydrate]","Acta Crystallographica Section E","2010","66","11","m1347","m1348","10.1107/S1600536810038456","","","0.71073","MoKα","","","0.0219","","","","0.0454","","","","","","1.074","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227875","20.0334","0.0003","13.4311","0.0002","7.94771","0.0001","90","","90","","90","","2138.5","0.05","193","2","193","2","","","","","","","","3","P n a 21","P 2c -2n","33","1,8-Bis(4-methylbenzoyl)-2,7-dimethoxynaphthalene","[2,7-Dimethoxy-8-(4-methylbenzoyl)-1-naphthyl](4-methylphenyl)methanone","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","OM2367","Muto, Toyokazu; Kato, Yuichi; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki","[2,7-Dimethoxy-8-(4-methylbenzoyl)-1-naphthyl](4-methylphenyl)methanone","Acta Crystallographica Section E","2010","66","11","o2752","","10.1107/S1600536810039620","","","1.54187","CuKα","","0.0345","0.0336","","","0.0929","0.0938","","","","","","1.169","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227902","9.0524","0.0018","9.1578","0.0018","11.329","0.002","90","","90","","90","","939.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H4 Fe N2 O6 -","- C7 H4 Fe N2 O6 -","- C28 H16 Fe4 N8 O24 -","4","1","PV2297","Zhao, Jiong-Peng; Liu, Fu-Chen","<i>catena</i>-Poly[[(pyrimidine-2-carboxylic acid)iron(II)]-μ-oxalato]","Acta Crystallographica Section E","2010","66","9","m1059","","10.1107/S1600536810030023","","","0.71073","MoKα","","0.0557","0.0402","","","0.0799","0.0828","","","","","","1.109","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227924","12.1259","0.001","19.3925","0.0016","6.4744","0.0005","90","","90","","90","","1522.5","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Chlorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H15 Cl O2 S -","- C17 H15 Cl O2 S -","- C68 H60 Cl4 O8 S4 -","4","1","PV2330","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-(4-Chlorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2010","66","11","o2702","","10.1107/S1600536810038419","","","0.71073","MoKα","","0.0378","0.0333","","","0.0859","0.0892","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228074","21.609","0.007","10.44","0.003","14.522","0.005","90","","90","","90","","3276.1","1.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tricarbonyl[η^5^-2-(methyldiphenylphosphaniumyl)-1,3,4- triphenylcyclopentadienyl]molybdenum(0)","","- C39 H29 Mo O3 P -","- C39 H29 Mo O3 P -","- C156 H116 Mo4 O12 P4 -","4","1","WM2404","Xu, Tao; Ye, Junwei; Gong, Weitao; Lin, Yuan; Ning, Guiling","Tricarbonyl[η^5^-2-(methyldiphenylphosphaniumyl)-1,3,4-triphenylcyclopentadienyl]molybdenum(0)","Acta Crystallographica Section E","2010","66","11","m1391","","10.1107/S1600536810039747","","","0.71073","MoKα","","0.0378","0.0278","","","0.0496","0.0528","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228077","9.7199","0.0002","10.3338","0.0002","13.1638","0.0002","90","","90","","90","","1322.22","0.04","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]- μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C14 H8 Cd N2 O4 -","- C14 H8 Cd N2 O4 -","- C56 H32 Cd4 N8 O16 -","4","1","WM2410","Lv, Yao-Kang; Gan, Li-Hua; Cao, Yong-Jie; Gao, Biao-Feng; Chen, Liu-Hua","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2010","66","11","m1440","","10.1107/S1600536810040341","","","0.71073","MoKα","","0.0378","0.0272","","","0.0612","0.0659","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228163","9.1445","0.0008","10.1443","0.0009","13.3294","0.0011","90","","90","","90","","1236.5","0.18","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[(1,10-phenanthroline)copper(II)]-μ-oxalato]","","- C14 H8 Cu N2 O4 -","- C14 H8 Cu N2 O4 -","- C56 H32 Cu4 N8 O16 -","4","1","ZL2304","Wang, Jun; Hou, Yong; Fang, Zhi-li","<i>catena</i>-Poly[[(1,10-phenanthroline)copper(II)]-μ-oxalato]","Acta Crystallographica Section E","2010","66","10","m1229","","10.1107/S1600536810035440","","","0.71073","MoKα","","0.0286","0.0243","","","0.0573","0.0594","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228209","12.2329","0.0004","20.1499","0.0007","6.484","0.0002","90","","90","","90","","1598.25","0.09","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-[(4-Chlorophenyl)sulfinyl]-2,4,6,7-tetramethyl-1-benzofuran","","- C18 H17 Cl O2 S -","- C18 H17 Cl O2 S -","- C72 H68 Cl4 O8 S4 -","4","1","BH2316","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-[(4-Chlorophenyl)sulfinyl]-2,4,6,7-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2010","66","12","o3087","","10.1107/S1600536810042339","","","0.71073","MoKα","","0.0482","0.0375","","","0.084","0.0904","","","","","","1.049","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228235","14.922","0.001","12.131","0.0008","7.0811","0.0004","90","","90","","90","","1281.81","0.14","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","3,3,6-Tribromo-1-methyl-1<i>H</i>-2,1-benzothiazin-4(3<i>H</i>)-one 2,2-dioxide","","- C9 H6 Br3 N O3 S -","- C9 H6 Br3 N O3 S -","- C36 H24 Br12 N4 O12 S4 -","4","1","BT5404","Shafiq, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Mustafa, Ghulam","3,3,6-Tribromo-1-methyl-1<i>H</i>-2,1-benzothiazin-4(3<i>H</i>)-one 2,2-dioxide","Acta Crystallographica Section E","2010","66","12","o3109","","10.1107/S1600536810045125","","","0.71073","MoKα","","0.0601","0.0354","","","0.0646","0.0705","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228260","15.0182","0.0002","5.5402","0.0001","17.828","0.0002","90","","90","","90","","1483.36","0.04","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Phenylsulfanyl-4-phenylsulfonyl-1,2,5-oxadiazole 2-oxide","","- C14 H10 N2 O4 S2 -","- C14 H10 N2 O4 S2 -","- C56 H40 N8 O16 S8 -","4","1","CV2780","Gervasio, Giuliana; Marabello, Domenica; Bertolotti, Federica","3-Phenylsulfanyl-4-phenylsulfonyl-1,2,5-oxadiazole 2-oxide","Acta Crystallographica Section E","2010","66","12","o3120","","10.1107/S1600536810043060","","","1.5418","CuKα","","0.0325","0.0304","","","0.0821","0.0839","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228306","10.9034","0.0003","8.5533","0.0002","14.7437","0.0004","90","","90","","90","","1375","0.06","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(4-hydroxy-3-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","FJ2361","Shalash, Marwan; Salhin, Abdussalam; Adnan, Rohana; Yeap, Chin Sing; Fun, Hoong-Kun","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(4-hydroxy-3-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2010","66","12","o3126","o3127","10.1107/S1600536810045162","","","0.71073","MoKα","","0.0344","0.0331","","","0.0863","0.0874","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228338","24.2677","0.0004","3.9916","0.0001","14.0816","0.0002","90","","90","","90","","1364.04","0.05","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Furyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","HB5713","Fun, Hoong-Kun; Suwunwong, Thitipone; Chantrapromma, Suchada; Karalai, Chatchanok","(<i>E</i>)-1-(2-Furyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","12","o3070","o3071","10.1107/S160053681004451X","","","0.71073","MoKα","","0.0423","0.0378","","","0.0896","0.0923","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228465","15.7756","0.0004","7.3795","0.0002","11.5236","0.0003","90","","90","","90","","1341.53","0.06","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-[2-(2-Bromophenyl)ethyl]-4-chloro-2-nitrobenzene","","- C14 H11 Br Cl N O2 -","- C14 H11 Br Cl N O2 -","- C56 H44 Br4 Cl4 N4 O8 -","4","1","LH5167","Jasinski, Jerry P.; Butcher, Ray J.; Siddegowda, M. S.; Yathirajan, H. S.; Ramesha, A. R.","1-[2-(2-Bromophenyl)ethyl]-4-chloro-2-nitrobenzene","Acta Crystallographica Section E","2010","66","12","o3358","","10.1107/S1600536810049226","","","1.54184","CuKα","","0.0319","0.0306","","","0.0833","0.0842","","","","","","1.076","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228484","25.5485","0.0015","10.0057","0.0006","5.6733","0.0004","90","","90","","90","","1450.27","0.16","290","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Chlorido{2-[(dimethylamino)methyl]phenyl-κ^2^<i>C</i>^1^,<i>N</i>}(1- methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^]palladium(II)","","- C13 H18 Cl N3 Pd -","- C13 H18 Cl N3 Pd -","- C52 H72 Cl4 N12 Pd4 -","4","1","NG5067","Clements, Jason W.; Stojanovic, Milorad; Hoffman, Norris W.; Sykora, Richard E.","Chlorido{2-[(dimethylamino)methyl]phenyl-κ^2^<i>C</i>^1^,<i>N</i>}(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)palladium(II)","Acta Crystallographica Section E","2010","66","12","m1639","m1640","10.1107/S1600536810047367","","","0.71073","MoKα","","0.028","0.022","","","0.0425","0.0435","","","","","","0.955","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228530","17.2498","0.0004","12.5137","0.0003","15.4118","0.0005","90","","90","","90","","3326.77","0.15","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","Diels‒Alder Adduct of ethyl propiolate","Ethyl 1,3,10,12-tetraphenyl-19,20- dioxahexacyclo[10.6.1.1^3,10^.0^2,11^.0^4,9^.0^13,18^]icosa- 4(9),5,7,13(18),14,16-hexaene-2-carboxylate","","- C45 H34 O4 -","- C45 H34 O4 -","- C180 H136 O16 -","4","1","RK2244","Narayanan, P.; Sethusankar, K.; Nandhakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Ethyl 1,3,10,12-tetraphenyl-19,20-dioxahexacyclo[10.6.1.1^3,10^.0^2,11^.0^4,9^.0^13,18^]icosa-4(9),5,7,13(18),14,16-hexaene-2-carboxylate","Acta Crystallographica Section E","2010","66","12","o3155","","10.1107/S1600536810045873","","","0.71073","MoKα","","0.0544","0.0375","","","0.0829","0.0921","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228531","14.622","0.003","12.504","0.003","12.165","0.002","90","","90","","90","","2224.2","0.8","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","3,3'-Dimethyl-1,1'-[(1,3-dihydroxypropane-2,2-diyl)dimethylidene]diimidazolium bis(hexafluorophosphate)","","- C13 H22 F12 N4 O2 P2 -","- C13 H22 F12 N4 O2 P2 -","- C52 H88 F48 N16 O8 P8 -","4","1","RK2245","Yuan, Ai-Lin; Wang, Chang-Sheng; Zhuang, Ling-Hua; Wang, Guo-Wei","3,3'-Dimethyl-1,1'-[(1,3-dihydroxypropane-2,2-diyl)dimethylidene]diimidazolium bis(hexafluorophosphate)","Acta Crystallographica Section E","2010","66","12","o3282","","10.1107/S1600536810047677","","","0.71073","MoKα","","0.151","0.0661","","","0.1002","0.1233","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228565","8.1456","0.0003","18.4472","0.0005","10.3618","0.0004","90","","90","","90","","1557","0.09","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Fluorophenylsulfonyl)-2-methylnaphtho[1,2-<i>b</i>]furan","","- C19 H13 F O3 S -","- C19 H13 F O3 S -","- C76 H52 F4 O12 S4 -","4","1","SJ5062","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","3-(4-Fluorophenylsulfonyl)-2-methylnaphtho[1,2-<i>b</i>]furan","Acta Crystallographica Section E","2010","66","12","o3302","","10.1107/S1600536810048361","","","0.71073","MoKα","","0.0336","0.03","","","0.0727","0.0749","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228640","9.361","0.002","35.966","0.009","6.9102","0.0017","90","","90","","90","","2326.5","1","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-{4-[2-(Trifluoromethoxy)phenyl]piperazin-1-yl}butyl)thiophene-2- carboxamide","","- C20 H28 F3 N3 O4 S -","- C20 H28 F3 N3 O4 S -","- C80 H112 F12 N12 O16 S4 -","4","1","BG2379","Cai, Jin","<i>N</i>-(4-{4-[2-(Trifluoromethoxy)phenyl]piperazin-1-yl}butyl)thiophene-2-carboxamide dihydrate","Acta Crystallographica Section E","2011","67","1","o125","","10.1107/S160053681005155X","","","0.71073","MoKα","","0.0855","0.0559","","","0.148","0.1734","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228652","14.982","0.003","9.4411","0.0019","20.384","0.004","90","","90","","90","","2883.2","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis{2-[3-(dimethylamino)propyliminomethyl]-6-methoxyphenolato}- κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^;κ^2^<i>N</i>,<i>O</i>^1^-zinc(II) dihydrate","","- C26 H42 N4 O6 Zn -","- C26 H42 N4 O6 Zn -","- C104 H168 N16 O24 Zn4 -","4","1","BQ2261","Lin, Hong; Wang, Xiao-Juan","Bis{2-[3-(dimethylamino)propyliminomethyl]-6-methoxyphenolato}-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^;κ^2^<i>N</i>,<i>O</i>^1^-zinc(II) dihydrate","Acta Crystallographica Section E","2011","67","1","m90","","10.1107/S1600536810052438","","","0.71073","MoKα","","0.0527","0.0307","","","0.0642","0.0715","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228706","13.9062","0.0008","12.6837","0.0007","14.7938","0.0008","90","","90","","90","","2609.4","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[μ-Bis(diphenylphosphanyl)acetonitrile- κ^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)]","","- C26 H21 Au2 Cl2 N P2 -","- C26 H21 Au2 Cl2 N P2 -","- C104 H84 Au8 Cl8 N4 P8 -","4","1","FJ2370","Sithole, Sicelo V.; Staples, Richard J.; van Zyl, Werner E.","[μ-Bis(diphenylphosphanyl)acetonitrile-κ^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)]","Acta Crystallographica Section E","2011","67","1","m64","","10.1107/S1600536810049834","","","0.71073","MoKα","","0.0257","0.0249","","","0.0629","0.0632","","","","","","1.053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228712","6.1298","0.0012","6.8194","0.0014","23.426","0.005","90","","90","","90","","979.2","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-[3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C40 H36 N12 O12 -","4","1","FK2032","Zhang, Fang; Liu, Fei; Chen, Qifan; Dong, Mingdong","3-[3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid","Acta Crystallographica Section E","2011","67","1","o193","","10.1107/S1600536810051639","","","0.71073","MoKα","","0.0415","0.0339","","","0.0809","0.0833","","","","","","1","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2228745","22.142","0.008","11.016","0.004","5.992","0.002","90","","90","","90","","1461.5","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Phenyl-7-(4-pyridylmethylamino)-1,2,4- triazolo[1,5-<i>a</i>][1,3,5]triazin-5(4<i>H</i>)-one","","- C16 H13 N7 O -","- C16 H13 N7 O -","- C64 H52 N28 O4 -","4","1","HG2761","Dolzhenko, Anton V.; Tan, Geok Kheng; Dolzhenko, Anna V.; Koh, Lip Lin; Chui, Wai Keung","2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","1","o85","o86","10.1107/S1600536810051032","","","0.71073","MoKα","","0.0825","0.0669","","","0.1398","0.1452","","","","","","1.187","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228752","11.8271","0.0005","13.2122","0.0005","10.256","0.0004","90","","90","","90","","1602.62","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[aqua(pyridine-4-carboxylato-κ<i>N</i>)silver(I)]- μ-hexamethylenetetraamine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","","- C12 H22 Ag N5 O5 -","- C12 H22 Ag N5 O5 -","- C48 H88 Ag4 N20 O20 -","4","1","HY2384","Sun, Dajun; Han, Liying; Zang, Hu","<i>catena</i>-Poly[[[aqua(pyridine-4-carboxylato-κ<i>N</i>)silver(I)]-μ-hexamethylenetetraamine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","Acta Crystallographica Section E","2011","67","1","m47","","10.1107/S1600536810050452","","","0.71073","MoKα","","0.0165","0.0162","","","0.0411","0.0412","","","","","","1.083","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228764","12.179","0.002","18.624","0.003","6.0187","0.001","90","","90","","90","","1365.2","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Methoxy-4-[(4-methylpiperazin-1-yl)iminomethyl]phenol","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","IM2254","Zhou, Li-Na; Yan, Long; Zhou, Hui-Liang; Yang, Qing-Feng; Hu, Qi-Lin","2-Methoxy-4-[(4-methylpiperazin-1-yl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","1","o100","","10.1107/S1600536810051135","","","0.71073","MoKα","","0.0635","0.0399","","","0.069","0.0769","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228775","13.821","0.0014","4.572","0.0005","19.7929","0.0019","90","","90","","90","","1250.7","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Methyl-5-[(3-methyl-4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole","","- C11 H11 N3 O2 S2 -","- C11 H11 N3 O2 S2 -","- C44 H44 N12 O8 S8 -","4","1","IS2643","Fun, Hoong-Kun; Chantrapromma, Suchada; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","2-Methyl-5-[(3-methyl-4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E","2011","67","1","o205","o206","10.1107/S1600536810052505","","","0.71073","MoKα","","0.0401","0.0305","","","0.0755","0.0912","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228823","9.8646","0.0014","26.145","0.004","11.9306","0.0016","90","","90","","90","","3077","0.8","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-[4-(2-Amino-2-oxoethyl)phenoxy]-2-hydroxy-<i>N</i>-isopropylpropanaminium 1,1'-binaphthyl-2,2'-diyl phosphate","","- C34 H35 N2 O7 P -","- C34 H35 N2 O7 P -","- C136 H140 N8 O28 P4 -","4","1","NG5070","Wang, En-Ju; Chen, Guang-Ying","3-[4-(2-Amino-2-oxoethyl)phenoxy]-2-hydroxy-<i>N</i>-isopropylpropanaminium 1,1'-binaphthyl-2,2'-diyl phosphate","Acta Crystallographica Section E","2011","67","1","o91","","10.1107/S1600536810049494","","","0.71073","MoKα","","0.0618","0.0383","","","0.0785","0.0883","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228961","20.7258","0.0013","8.3921","0.0005","24.4923","0.0015","90","","90","","90","","4260","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Diethyl 1,1-dioxo-3,5-bis(pyridin-2-yl)-1λ^6^,4-thiomorpholine-2,6-dicarboxylate","","- C20 H23 N3 O6 S -","- C20 H23 N3 O6 S -","- C160 H184 N24 O48 S8 -","8","2","BT5412","Sugumar, P.; Edayadulla, N.; Ramesh, P.; Ramesh, P.; Ponnuswamy, M. N.","Diethyl 1,1-dioxo-3,5-bis(pyridin-2-yl)-1λ^6^,4-thiomorpholine-2,6-dicarboxylate","Acta Crystallographica Section E","2011","67","2","o305","","10.1107/S1600536811000444","","","0.71073","MoKα","","0.0631","0.0415","","","0.1005","0.1128","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228970","16.6409","0.0006","23.2581","0.0009","14.5045","0.0006","90","","90","","90","","5613.8","0.4","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) carbonate","","- C21 H22 O5 -","- C21 H22 O5 -","- C252 H264 O60 -","12","3","BT5448","Yang, Lin-Tao; Luo, Xian-Fu; Hu, Ai-Xi; Wang, Yu","Bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) carbonate","Acta Crystallographica Section E","2011","67","2","o338","","10.1107/S1600536811000341","","","0.71073","MoKα","","0.0638","0.0416","","","0.0966","0.1093","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229002","19.8191","0.0016","6.2487","0.0005","33.947","0.003","90","","90","","90","","4204.1","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-2-thienylmethylidene]-2-naphthohydrazide","","- C16 H12 N2 O2 S -","- C16 H12 N2 O2 S -","- C192 H144 N24 O24 S12 -","12","3","CV5019","Wu, Qingkun; Yin, Handong; Wang, Daqi","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-2-thienylmethylidene]-2-naphthohydrazide","Acta Crystallographica Section E","2011","67","2","o277","","10.1107/S160053681005405X","","","0.71073","MoKα","","0.1356","0.055","","","0.0663","0.0776","","","","","","0.971","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229014","10.985","0.003","7.079","0.002","9.698","0.002","90","","90","","90","","754.1","0.3","120","1","120","1","","","","","","","","4","P n a 21","P 2c -2n","33","","propane-1,2-diaminium dichloride","","- C3 H12 Cl2 N2 -","- C3 H12 Cl2 N2 -","- C12 H48 Cl8 N8 -","4","1","CV5036","Pospieszna-Markiewicz, Izabela; Zielaskiewicz, Ewa; Radecka-Paryzek, Wanda; Kubicki, Maciej","Disordered structure of propane-1,2-diaminium dichloride","Acta Crystallographica Section E","2011","67","2","o371","o372","10.1107/S1600536811001036","","","1.54178","CuKα","","0.0345","0.0338","","","0.098","0.0984","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229056","10.842","0.007","16.651","0.007","9.787","0.006","90","","90","","90","","1766.8","1.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-[(Butylamino)(phenyl)methyl]naphthalen-2-ol","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","GW2088","Ni, Hen-Mei","1-[(Butylamino)(phenyl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2011","67","2","o322","","10.1107/S1600536811000067","","","0.71073","MoKα","","0.1298","0.0867","","","0.1178","0.134","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229217","6.6008","0.0013","16.784","0.003","13.424","0.003","90","","90","","90","","1487.2","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(4-Bromobenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C64 H60 Br4 O16 -","4","1","SI2324","Zeng, Wu-Lan","3-(4-Bromobenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione","Acta Crystallographica Section E","2011","67","2","o426","","10.1107/S1600536811001516","","","0.71073","MoKα","","0.0728","0.0401","","","0.0981","0.1239","","","","","","0.933","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229241","20.282","0.002","3.8025","0.0004","11.8183","0.0008","90","","90","","90","","911.45","0.15","299","2","299","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>Z</i>)-3-[(2-Fluoroanilino)carbonyl]prop-2-enoic acid","","- C10 H8 F N O3 -","- C10 H8 F N O3 -","- C40 H32 F4 N4 O12 -","4","1","SU2241","Ali Shah, Farooq; Ali, Saqib; Shahzadi, Saira; Ahmad, Sajjad; Fischer, Andreas","(<i>Z</i>)-3-[(2-Fluoroanilino)carbonyl]prop-2-enoic acid","Acta Crystallographica Section E","2011","67","2","o393","","10.1107/S1600536811001152","","","0.71073","MoKα","","0.0763","0.0459","","","0.1059","0.1207","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229277","12.9094","0.0006","10.6947","0.0005","17.9676","0.0008","90","","90","","90","","2480.6","0.2","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(4<i>Z</i>)-4-[(2,6-Diisopropylanilino)(phenyl)methylidene]-3-methyl- 1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C29 H31 N3 O -","- C29 H31 N3 O -","- C116 H124 N12 O4 -","4","1","XU5120","Lai, Shu-Ling; Chang, Ching-Yao","(4<i>Z</i>)-4-[(2,6-Diisopropylanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o324","","10.1107/S1600536811000602","","","1.54178","CuKα","","0.0369","0.036","","","0.0994","0.1001","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229306","7.5318","0.0017","16.587","0.004","11.22","0.003","90","","90","","90","","1401.7","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Chloro-1-(4-methoxybenzyl)indoline-2,3-dione","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C64 H48 Cl4 N4 O12 -","4","1","ZQ2080","Wu, Weiyao; Zheng, Tingting; Cao, Shengli; Xiao, Zhichang","5-Chloro-1-(4-methoxybenzyl)indoline-2,3-dione","Acta Crystallographica Section E","2011","67","2","o246","","10.1107/S1600536810052876","","","0.71073","MoKα","","0.0741","0.0396","","","0.0777","0.0907","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229410","27.0813","0.0015","13.0411","0.0008","4.5998","0.0002","90","","90","","90","","1624.51","0.15","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(2,4-Difluoroanilino)-9-nitrodibenzo[<i>b</i>,<i>e</i>]oxepin- 11(6<i>H</i>)-one","","- C20 H12 F2 N2 O4 -","- C20 H12 F2 N2 O4 -","- C80 H48 F8 N8 O16 -","4","1","IM2261","Baur, Benjamin; Schollmeyer, Dieter; Laufer, Stefan","3-(2,4-Difluoroanilino)-9-nitrodibenzo[<i>b</i>,<i>e</i>]oxepin-11(6<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o555","","10.1107/S1600536811002881","","","1.54178","CuKα","","0.0484","0.0473","","","0.1255","0.1267","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229545","10.795","0.002","14.386","0.003","9.797","0.002","90","","90","","90","","1521.4","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Benzyl-7-methylhexahydro-3a,7-methano-1<i>H</i>-furo[3,4-<i>c</i>]azocine- 3,10(4<i>H</i>)-dione","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","XU5143","Yang, Zhan-Kun; Wang, Feng-Peng","5-Benzyl-7-methylhexahydro-3a,7-methano-1<i>H</i>-furo[3,4-<i>c</i>]azocine-3,10(4<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","3","o577","","10.1107/S160053681100300X","","","0.71073","MoKα","","0.0696","0.0672","","","0.1658","0.1674","","","","","","1.164","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229553","8.3716","0.0003","21.7722","0.0008","7.8915","0.0003","90","","90","","90","","1438.37","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-(3,4-Diacetyl-5-methyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","XU5161","Abdel-Aziz, Hatem A.; Bari, Ahmed; Ng, Seik Weng","4-(3,4-Diacetyl-5-methyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","3","o693","","10.1107/S1600536811005733","","","0.71073","MoKα","","0.0562","0.0418","","","0.0858","0.0953","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229651","10.9485","0.0007","33.1581","0.0014","4.1488","0.0005","90","","90","","90","","1506.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Pyridine-3-carboxamidinium chloride","","- C6 H8 Cl N3 -","- C6 H8 Cl N3 -","- C48 H64 Cl8 N24 -","8","2","GK2326","Liu, Fei; Zhang, Fang; Chen, Qifan; Zhang, Huidong","Pyridine-3-carboxamidinium chloride","Acta Crystallographica Section E","2011","67","4","o781","","10.1107/S1600536811002704","","","0.71073","MoKα","","0.0321","0.0285","","","0.0683","0.0707","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229701","15.507","0.003","7.35","0.0015","32.175","0.006","90","","90","","90","","3667.2","1.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichlorido[2,4-dimethyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline- κ^2^<i>N</i>,<i>N</i>']dimethyltin(IV)","","- C16 H20 Cl2 N2 Sn -","- C16 H20 Cl2 N2 Sn -","- C128 H160 Cl16 N16 Sn8 -","8","2","HY2416","Loni, Sedigheh; Talei Bavil Olyai, Mohamad Reza; Roodbari, Fatemeh; Notash, Behrouz","Dichlorido[2,4-dimethyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']dimethyltin(IV)","Acta Crystallographica Section E","2011","67","4","m489","m490","10.1107/S1600536811010439","","","0.71073","MoKα","","0.0585","0.038","","","0.0897","0.1162","","","","","","0.969","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229877","14.2596","0.0005","11.48","0.0003","8.3602","0.0002","90","","90","","90","","1368.57","0.07","293","2","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","3-Fluoro-4-nitrophenyl 4-methylbenzenesulfonate","","- C13 H10 F N O5 S -","- C13 H10 F N O5 S -","- C52 H40 F4 N4 O20 S4 -","4","1","XU5126","Ang, Wei; Luo, You-Fu; Deng, Yong","3-Fluoro-4-nitrophenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","4","o750","","10.1107/S1600536811005903","","","0.7107","MoKα","","0.0446","0.034","","","0.0774","0.0832","","","","","","1.045","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229916","9.358","0.0019","17.815","0.004","6.387","0.0013","90","","90","","90","","1064.8","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3'-dinitro-4,4'-bipyridine","","- C10 H6 N4 O4 -","- C10 H6 N4 O4 -","- C40 H24 N16 O16 -","4","1","BQ2296","Wang, Yong; Xu, Jing-Yi; Li, De-Yong; Shi, Lu","3,3'-Dinitro-4,4'-bipyridine","Acta Crystallographica Section E","2011","67","5","o1191","","10.1107/S1600536811014139","","","0.71073","MoKα","","0.0878","0.055","","","0.1245","0.1412","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229995","17.6607","0.0012","15.1593","0.001","8.9192","0.0006","90","","90","","90","","2387.9","0.3","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","Diphenylphosphonimidotriphenylphosphorane","Diphenylphosphonimidotriphenylphosphorane","","- C30 H25 N O P2 -","- C30 H25 N O P2 -","- C120 H100 N4 O4 P8 -","4","1","HB5826","Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk","Redetermined structure of diphenylphosphonimidotriphenylphosphorane: location of the hydrogen atoms and analysis of the intermolecular interactions","Acta Crystallographica Section E","2011","67","5","o1028","o1029","10.1107/S1600536811011500","","","0.71073","MoKα","","0.0292","0.0273","","","0.0739","0.0763","","","","","","1.108","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2230014","20.351","0.002","12.749","0.001","7.41","0.002","90","","90","","90","","1922.6","0.6","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2- (dimethylamino)ethylimino]methyl}phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)","","- C16 H20 Br Cl N2 O4 V -","- C16 H20 Br Cl N2 O4 V -","- C64 H80 Br4 Cl4 N8 O16 V4 -","4","1","HB5858","Wang, Fu-Ming","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-bromo-4-chloro-6-{[2-(dimethylamino)ethylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)oxidovanadium(IV)","Acta Crystallographica Section E","2011","67","5","m650","","10.1107/S1600536811015406","","","0.71073","MoKα","","0.0988","0.0469","","","0.0822","0.0999","","","","","","0.93","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230217","10.7323","0.0004","20.079","0.0006","6.2663","0.0002","90","","90","","90","","1350.35","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl <i>c</i>-1-cyano-<i>t</i>-2-methylsulfonyl-3-phenylcyclopropanecarboxylate","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","AA2006","Vasin, Victor A.; Bolusheva, Irina Yu.; Neverov, Vyacheslav A.; Somov, Nikolai V.","Methyl <i>c</i>-1-cyano-<i>t</i>-2-methylsulfonyl-3-phenylcyclopropanecarboxylate","Acta Crystallographica Section E","2011","67","6","o1504","","10.1107/S1600536811016370","","","0.71073","MoKα","","0.0353","0.0308","","","0.0763","0.078","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230226","20.44","0.004","17.5","0.004","6.163","0.0012","90","","90","","90","","2204.5","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-Bis(4-<i>tert</i>-butylphenyl)-4-nitrobutan-1-one","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C96 H124 N4 O12 -","4","1","BQ2291","Ren, Dong-Yin; Shi, Lu; Zhang, Qin; Xu, Yi; Zhu, Hong-Jun","1,3-Bis(4-<i>tert</i>-butylphenyl)-4-nitrobutan-1-one","Acta Crystallographica Section E","2011","67","6","o1465","","10.1107/S1600536811018277","","","0.71073","MoKα","","0.0994","0.0621","","","0.1507","0.1805","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230481","14.0242","0.0013","12.445","0.0012","5.2706","0.0005","90","","90","","90","","919.88","0.15","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-(4-Hydroxyphenyl)butan-2-one","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","SJ5132","Wang, Jian-Guo","4-(4-Hydroxyphenyl)butan-2-one","Acta Crystallographica Section E","2011","67","6","o1411","","10.1107/S1600536811017272","","","0.71073","MoKα","","0.0667","0.0636","","","0.1687","0.1725","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230628","19.26","0.004","12.161","0.002","6.5493","0.0013","90","","90","","90","","1534","0.5","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N'</i>)manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O'</i>] monohydrate]","","- C14 H14 Mn N2 O6 -","- C14 H14 Mn N2 O6 -","- C56 H56 Mn4 N8 O24 -","4","1","FJ2422","Xu, Wei","<i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2011","67","7","m893","","10.1107/S1600536811020575","","","0.71073","MoKα","","0.0741","0.037","","","0.0676","0.1107","","","","","","1.195","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230687","17.6211","0.0017","6.5141","0.0007","14.5794","0.0013","90","","90","","90","","1673.5","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Acetonitriledicarbonyl(η^5^-pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","","- C14 H18 B F4 Fe N O2 -","- C14 H18 B F4 Fe N O2 -","- C56 H72 B4 F16 Fe4 N4 O8 -","4","1","HG5040","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Bala, Muhammad D.","Acetonitriledicarbonyl(η^5^-pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2011","67","7","m924","","10.1107/S1600536811021350","","","0.71073","MoKα","","0.055","0.0441","","","0.112","0.1197","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230699","20.919","0.004","8.2015","0.0016","12.739","0.003","90","","90","","90","","2185.6","0.8","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Propane-1,2-diaminium bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cuprate(II) tetrahydrate","","- C17 H26 Cu N4 O12 -","- C17 H26 Cu N4 O12 -","- C68 H104 Cu4 N16 O48 -","4","1","HY2413","Aghabozorg, Hossein; Agah, Ali Akbar; Notash, Behrouz; Mirzaei, Masoud","Propane-1,2-diaminium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cuprate(II) tetrahydrate","Acta Crystallographica Section E","2011","67","7","m992","m993","10.1107/S1600536811024378","","","0.71073","MoKα","","0.0309","0.0282","","","0.0702","0.0753","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230743","34.884","0.002","10.2322","0.0007","7.8449","0.0006","90","","90","","90","","2800.2","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Diethyl 4-[5-(biphenyl-4-yl)-1<i>H</i>-pyrazol-4-yl]-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate ethanol monosolvate","","- C30 H35 N3 O5 -","- C30 H35 N3 O5 -","- C120 H140 N12 O20 -","4","1","IS2733","Fun, Hoong-Kun; Hemamalini, Madhukar; Vijesh, A. M.; Isloor, Arun M.; Arulmoli, T.","Diethyl 4-[5-(biphenyl-4-yl)-1<i>H</i>-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate ethanol monosolvate","Acta Crystallographica Section E","2011","67","7","o1768","o1769","10.1107/S160053681102349X","","","0.71073","MoKα","","0.0592","0.0448","","","0.1173","0.1274","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230864","10.959","0.002","18.037","0.004","9.333","0.0019","90","","90","","90","","1844.8","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-[(2-ethoxy)-2-oxo-ethyl]-4-piperidino-1,8-naphthalimide","Ethyl 2-[1,3-dioxo-6-(piperidin-1-yl)-2,3-dihydro- 1<i>H</i>-benz[<i>de</i>]isoquinolin-2-yl]acetate","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","SJ5150","Xia, Song; Zheng, Chun-Ling; He, Fei-Fei; Shi, Ya-Bin; Wang, Hai-Bo","Ethyl 2-[1,3-dioxo-6-(piperidin-1-yl)-2,3-dihydro-1<i>H</i>-benz[<i>de</i>]isoquinolin-2-yl]acetate","Acta Crystallographica Section E","2011","67","7","o1717","","10.1107/S1600536811022707","","","0.71073","MoKα","","0.0671","0.0452","","","0.1053","0.1149","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230877","5.6718","0.0003","10.9476","0.0006","12.2652","0.0008","90","","90","","90","","761.58","0.08","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","1-Bromo-2,3,5,6-tetrafluoro-4-nitrobenzene","1-Bromo-2,3,5,6-tetrafluoro-4-nitrobenzene","","- C6 Br F4 N O2 -","- C6 Br F4 N O2 -","- C24 Br4 F16 N4 O8 -","4","1","SU2278","Stein, Mario; Schwarzer, Anke; Hulliger, Jürg; Weber, Edwin","1-Bromo-2,3,5,6-tetrafluoro-4-nitrobenzene","Acta Crystallographica Section E","2011","67","7","o1655","","10.1107/S160053681102201X","","","0.71073","MoKα","","0.0254","0.0227","","","0.0522","0.0529","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230964","40.381","0.013","5.0598","0.0016","7.168","0.002","90","","90","","90","","1464.6","0.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]-4- nitrobenzohydrazide","","- C15 H12 Br N3 O4 -","- C15 H12 Br N3 O4 -","- C60 H48 Br4 N12 O16 -","4","1","ZQ2106","Zheng, Chang-Zheng; Wang, Liang; Liu, Juan; Wang, Yu-Jie","<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]-4-nitrobenzohydrazide","Acta Crystallographica Section E","2011","67","7","o1809","","10.1107/S1600536811023609","","","0.71073","MoKα","","0.0604","0.0489","","","0.1469","0.1567","","","","","","0.945","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230993","18.6831","0.0004","9.2037","0.0002","18.5999","0.0004","90","","90","","90","","3198.32","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetraethylammonium tri-μ-phenolato-bis[tricarbonylmanganate(I)]","","- C32 H35 Mn2 N O9 -","- C32 H35 Mn2 N O9 -","- C128 H140 Mn8 N4 O36 -","4","1","BG2415","McNeese, Timothy J.; Pike, Robert D.","Tetraethylammonium tri-μ-phenolato-bis[tricarbonylmanganate(I)]","Acta Crystallographica Section E","2011","67","8","m1150","","10.1107/S1600536811029266","","","1.54178","CuKα","","0.0341","0.0329","","","0.0833","0.0843","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231197","10.193","0.0002","16.8789","0.0003","10.4588","0.0003","90","","90","","90","","1799.4","0.07","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Phenyl bis(<i>m</i>-tolylamido)phosphinate","","- C20 H21 N2 O2 P -","- C20 H21 N2 O2 P -","- C80 H84 N8 O8 P4 -","4","1","LD2017","Pourayoubi, Mehrdad; Eshtiagh-Hosseini, Hossein; Negari, Monireh; Nečas, Marek","Phenyl bis(<i>m</i>-tolylamido)phosphinate","Acta Crystallographica Section E","2011","67","8","o1870","","10.1107/S1600536811024846","","","0.71073","MoKα","","0.0236","0.0218","","","0.0614","0.062","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231244","5.411","0.0003","25.4205","0.0012","9.317","0.0004","90","","90","","90","","1281.56","0.11","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-Diallyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","","- C12 H12 Br N3 O -","- C12 H12 Br N3 O -","- C48 H48 Br4 N12 O4 -","4","1","OM2445","Dahmani, Siham; Kandri Rodi, Youssef; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","1,3-Diallyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1986","","10.1107/S1600536811026869","","","0.71073","MoKα","","0.0531","0.0356","","","0.0915","0.0999","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231251","18.947","0.002","11.2734","0.0013","10.8533","0.0012","90","","90","","90","","2318.2","0.4","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis(8-methyl-2,8-dicarba-<i>closo</i>-dodecaboran-2-yl) triselenide","","- C6 H26 B20 Se3 -","- C6 H26 B20 Se3 -","- C24 H104 B80 Se12 -","4","1","PK2331","Ilie, Adriana; Soran, Albert; Laguna, Antonio; Silvestru, Cristian","Bis(8-methyl-2,8-dicarba-<i>closo</i>-dodecaboran-2-yl) triselenide","Acta Crystallographica Section E","2011","67","8","o1908","","10.1107/S1600536811025712","","","0.71073","MoKα","","0.067","0.0534","","","0.108","0.1132","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231293","11.606","0.005","9.77","0.004","16.199","0.007","90","","90","","90","","1836.8","1.3","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-<i>tert</i>-Butyl-2-(4-<i>tert</i>-butylpyridin-2-yl)pyridinium nitrate","","- C18 H25 N3 O3 -","- C18 H25 N3 O3 -","- C72 H100 N12 O12 -","4","1","RZ2623","Wu, Wen-Sheng","4-<i>tert</i>-Butyl-2-(4-<i>tert</i>-butylpyridin-2-yl)pyridinium nitrate","Acta Crystallographica Section E","2011","67","8","o2070","","10.1107/S1600536811028030","","","0.71073","MoKα","","0.0577","0.0398","","","0.1007","0.1118","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231384","11.0679","0.0011","17.6465","0.0016","7.8835","0.0006","90","","90","","90","","1539.7","0.2","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(Diphenylmethylidene)indolin-2-one","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","ZS2123","Yuan, Maosen; Wang, Qi; Zhang, Shujun; Gao, Peng; Wang, Junru","3-(Diphenylmethylidene)indolin-2-one","Acta Crystallographica Section E","2011","67","8","o2098","","10.1107/S1600536811028467","","","0.71073","MoKα","","0.1119","0.0374","","","0.0719","0.0974","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231492","9.5458","0.0019","20.499","0.004","7.9283","0.0016","90","","90","","90","","1551.4","0.5","293","2","293","2","101.3","","","","","","","3","P n a 21","P 2c -2n","33","","1,4-Bis(1<i>H</i>-benzimidazol-1-yl)benzene","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","HB6340","Sun, Guo-Feng; Hu, Jian-Ping; Tang, Dian-Yong; Zhang, Yuan-Qin","1,4-Bis(1<i>H</i>-benzimidazol-1-yl)benzene","Acta Crystallographica Section E","2011","67","9","o2286","","10.1107/S1600536811031278","","","0.71073","MoKα","","0.0609","0.0505","","","0.1005","0.1044","","","","","","1.167","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231577","16.684","0.002","16.042","0.002","13.7868","0.0019","90","","90","","90","","3690","0.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-Acetato-μ-(μ-5-chloro-2-{1,3-bis[2-(5-chloro- 2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)- bis[methanolnickel(II)] methanol monosolvate monohydrate","","- C32 H41 Cl3 N4 Ni2 O9 -","- C32 H41 Cl3 N4 Ni2 O9 -","- C128 H164 Cl12 N16 Ni8 O36 -","4","1","JJ2099","Khan, Ahmed Raza; Tesema, Yohannes; Butcher, Ray J.; Gultneh, Yilma","μ-Acetato-μ-(5-chloro-2-{1,3-bis[2-(5-chloro-2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)-bis[methanolnickel(II)] methanol monosolvate monohydrate","Acta Crystallographica Section E","2011","67","9","m1264","m1265","10.1107/S1600536811032727","","","0.71073","MoKα","","0.0466","0.0329","","","0.0598","0.0637","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231608","25.0498","0.0005","3.9799","0.0001","14.3267","0.0003","90","","90","","90","","1428.31","0.05","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(Pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","LH5312","Fun, Hoong-Kun; Suwunwong, Thitipone; Chantrapromma, Suchada","(<i>E</i>)-1-(Pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2406","o2407","10.1107/S1600536811033198","","","0.71073","MoKα","","0.0343","0.0329","","","0.0903","0.0913","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231619","20.1213","0.0007","12.9178","0.0004","7.0122","0.0002","90","","90","","90","","1822.63","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","3,4,5-Trihydroxybenzohydrazidium perchlorate‒3,4,5-trihydroxybenzohydrazide‒ water (1/1/1)","(3,4,5-Trihydroxybenzamido)ammonium perchlorate‒3,4,5-trihydroxybenzohydrazide‒water (1/1/1)","","- C14 H19 Cl N4 O13 -","- C14 H19 Cl N4 O13 -","- C56 H76 Cl4 N16 O52 -","4","1","LX2194","A. Alhadi, Abeer; Khaledi, Hamid; Mohd Ali, Hapipah","3,4,5-Trihydroxybenzohydrazidium perchlorate‒3,4,5-trihydroxybenzohydrazide‒water (1/1/1)","Acta Crystallographica Section E","2011","67","9","o2229","o2230","10.1107/S1600536811030595","","","0.71073","MoKα","","0.0712","0.0488","","","0.0992","0.1086","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231654","35.188","0.008","17.641","0.004","12.793","0.003","90","","90","","90","","7941","3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","<i>cis</i>-aquaiodidobis(1,10-phenanthroline)cobalt(II) tris(1,10-phenanthroline)cobalt(II) <i>trans</i>-hexa-μ~2~-iodido-hexaiodidotribismuthate(III)","","- C60 H42 Bi3 Co2 I13 N10 O -","- C60 H40 Bi3 Co2 I13 N10 O -","- C240 H160 Bi12 Co8 I52 N40 O4 -","4","1","OM2460","Chen, Jiongke; Chai, Wenxiang; Song, Li; Yang, Yunyun; Niu, Feng","A double salt of iodobismuthate: <i>cis</i>-aquaiodidobis(1,10-phenanthroline)cobalt(II) tris(1,10-phenanthroline)cobalt(II) <i>trans</i>-hexa-μ~2~-iodido-hexaiodidotribismuthate(III)","Acta Crystallographica Section E","2011","67","9","m1284","m1285","10.1107/S1600536811033460","","","0.71075","MoKα","","0.0437","0.0372","","","0.0786","0.0824","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231783","16.898","0.003","12.643","0.003","9.422","0.0019","90","","90","","90","","2012.9","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Diethyl 2,5-bis[(1<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]thiophene-3,4-dicarboxylate","","- C20 H20 N4 O4 S -","- C20 H20 N4 O4 S -","- C80 H80 N16 O16 S4 -","4","1","ZQ2118","Dufresne, Stéphane; Skene, W. G.","Diethyl 2,5-bis[(1<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]thiophene-3,4-dicarboxylate","Acta Crystallographica Section E","2011","67","9","o2302","","10.1107/S1600536811031576","","","1.54178","CuKα","","0.024","0.0238","","","0.0643","0.0644","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231845","10.6901","0.0019","15.669","0.003","9.6094","0.0017","90","","90","","90","","1609.6","0.5","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Poly[tris(μ~3~-2-aminoethanesulfonato)cobalt(II)potassium]","","- C6 H18 Co K N3 O9 S3 -","- C6 H18 Co K N3 O9 S3 -","- C24 H72 Co4 K4 N12 O36 S12 -","4","1","BX2374","Li, Xiao-lin; Yu, Jing; Ou, Yang-Miao","Poly[tris(μ~3~-2-aminoethanesulfonato)cobalt(II)potassium]","Acta Crystallographica Section E","2011","67","10","m1466","m1467","10.1107/S1600536811039390","","","0.71073","MoKα","","0.027","0.0241","","","0.056","0.0577","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231868","12.1359","0.0003","9.8351","0.0003","11.185","0.0003","90","","90","","90","","1335.02","0.06","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Aminopyridinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","FJ2453","Smith, Graham; Wermuth, Urs D.","4-Aminopyridinium <i>cis</i>-2-carboxycyclohexane-1-carboxylate","Acta Crystallographica Section E","2011","67","10","o2794","","10.1107/S1600536811039547","","","0.71073","MoKα","","0.0369","0.0278","","","0.058","0.0595","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231933","16.0251","0.0019","8.455","0.001","17.293","0.002","90","","90","","90","","2343.1","0.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[silver(I)-μ-bis{2-[(<i>E</i>)-phenyldiazenyl]- 1<i>H</i>-imidazol-1-yl}methane] trifluoromethanesulfonate]","","- C20 H16 Ag F3 N8 O3 S -","- C20 H16 Ag F3 N8 O3 S -","- C80 H64 Ag4 F12 N32 O12 S4 -","4","1","IM2314","Wang, Tao; Xu, Ji-Jun; Jin, Chuan-Ming","<i>catena</i>-Poly[[silver(I)-μ-bis{2-[(<i>E</i>)-phenyldiazenyl]-1<i>H</i>-imidazol-1-yl}methane] trifluoromethanesulfonate]","Acta Crystallographica Section E","2011","67","10","m1424","m1425","10.1107/S1600536811035951","","","0.71073","MoKα","","0.0746","0.0649","","","0.1591","0.1666","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232081","13.016","0.005","14.617","0.005","4.037","0.005","90","","90","","90","","768.1","1","180.6","","180.6","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-Bromo-4-methyl-2-nitrobenzene","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","VM2119","Li, Ping; Wang, Hai; Zhang, XiMan; Chen, HongYu","1-Bromo-4-methyl-2-nitrobenzene","Acta Crystallographica Section E","2011","67","10","o2641","","10.1107/S1600536811036439","","","0.71073","MoKα","","0.0671","0.0529","","","0.1243","0.1313","","","","","","1.186","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232089","14.7385","0.0016","18.552","0.002","14.2504","0.0015","90","","90","","90","","3896.5","0.7","168","2","168","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-Acetato-aqua-μ-(5-bromo-2-{1,3-bis[2-(5-bromo-2- oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)methanoldinickel(II) methanol disolvate monohydrate","","- C32 H43 Br3 N4 Ni2 O10 -","- C32 H43 Br3 N4 Ni2 O10 -","- C128 H172 Br12 N16 Ni8 O40 -","4","1","WM2523","Khan, Ahmed Raza; Tesema, Yohannes; Butcher, Ray J.; Gultneh, Yilma","μ-Acetato-aqua-μ-(5-bromo-2-{1,3-bis[2-(5-bromo-2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)methanoldinickel(II) methanol disolvate monohydrate","Acta Crystallographica Section E","2011","67","10","m1381","m1382","10.1107/S1600536811035409","","","0.71073","MoKα","","0.0658","0.0408","","","0.0825","0.0919","","","","","","0.961","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232100","26.8587","0.0007","8.8158","0.0002","11.2035","0.0003","90","","90","","90","","2652.78","0.12","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3-Amino-1-methyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C17 H13 N3 -","- C17 H13 N3 -","- C136 H104 N24 -","8","2","XU5310","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng","3-Amino-1-methyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2011","67","10","o2569","","10.1107/S1600536811035008","","","1.54184","CuKα","","0.038","0.034","","","0.0874","0.0911","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232114","20.452","0.0004","12.5201","0.0002","15.8328","0.0002","90","","90","","90","","4054.16","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1,1,1-Trifluoro-4-(thiophen-2-yl)-4-[(2-{[4,4,4-trifluoro-3-oxo-1-(thiophen-2- yl)but-1-en-1-yl]amino}ethyl)amino]but-3-en-2-one","","- C18 H14 F6 N2 O2 S2 -","- C18 H14 F6 N2 O2 S2 -","- C144 H112 F48 N16 O16 S16 -","8","2","XU5326","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng","1,1,1-Trifluoro-4-(thiophen-2-yl)-4-[(2-{[4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-yl]amino}ethyl)amino]but-3-en-2-one","Acta Crystallographica Section E","2011","67","10","o2659","o2660","10.1107/S1600536811036889","","","0.71073","MoKα","","0.0538","0.0461","","","0.1143","0.1217","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232127","7.7414","0.0012","30.418","0.005","16.949","0.003","90","","90","","90","","3991.1","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(2,4,6-trimethylanilinium) sulfate monohydrate","","- C18 H30 N2 O5 S -","- C18 H30 N2 O5 S -","- C144 H240 N16 O40 S8 -","8","2","ZK2028","Rong, Tao","Bis(2,4,6-trimethylanilinium) sulfate monohydrate","Acta Crystallographica Section E","2011","67","10","o2729","","10.1107/S1600536811038086","","","0.71073","MoKα","","0.0778","0.0614","","","0.1341","0.1425","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232146","21.4805","0.0008","17.6053","0.001","17.5723","0.0008","90","","90","","90","","6645.3","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakis(μ~3~-9-oxa-10-boraanthracen-10-olato)tetrakis[(diethyl ether)lithium]","","- C64 H72 B4 Li4 O12 -","- C64 H72 B4 Li4 O12 -","- C256 H288 B16 Li16 O48 -","4","1","BG2423","Franz, Daniel; Lerner, Hans-Wolfram; Büttner, Dominik; Bolte, Michael","Tetrakis(μ~3~-9-oxa-10-boraanthracen-10-olato)tetrakis[(diethyl ether)lithium]","Acta Crystallographica Section E","2011","67","11","m1525","","10.1107/S1600536811041201","","","0.71073","MoKα","","0.0914","0.0773","","","0.195","0.2036","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232311","26.738","0.003","4.893","0.002","12.735","0.002","90","","90","","90","","1666.1","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>'-[(2-Methoxynaphthalen-1-yl)methylidene]-4-methylbenzohydrazide","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","HB6475","Meng, Xu-Feng; Wang, Dong-Yue; Ma, Jing-Jun","<i>N</i>'-[(2-Methoxynaphthalen-1-yl)methylidene]-4-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","11","o3109","","10.1107/S1600536811044291","","","0.71073","MoKα","","0.0711","0.043","","","0.0891","0.1004","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232323","21.435","0.006","8.151","0.002","8.494","0.002","90","","90","","90","","1484","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-5-methyl-3-nitropyridine","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","2","HG5113","Zhang, Da-Tong; Huo, Ling-Yan","2-Chloro-5-methyl-3-nitropyridine","Acta Crystallographica Section E","2011","67","11","o3134","","10.1107/S160053681104400X","","","0.71073","MoKα","","0.048","0.0366","","","0.0869","0.0934","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232361","24.3475","0.001","13.9748","0.0006","11.0267","0.0004","90","","90","","90","","3751.9","0.3","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-{[2- (dimethylamino)ethyl]nitrilobis(methylene)}diphenolato)dioxidomolybdenum(VI) chloroform monosolvate","","- C35 H55 Cl3 Mo N2 O4 -","- C35 H55 Cl3 Mo N2 O4 -","- C140 H220 Cl12 Mo4 N8 O16 -","4","1","JJ2100","Lei, Xiangyang; Chelamalla, Nagasree","(4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-{[2-(dimethylamino)ethyl]nitrilobis(methylene)}diphenolato)dioxidomolybdenum(VI) chloroform monosolvate","Acta Crystallographica Section E","2011","67","11","m1510","","10.1107/S160053681104092X","","","1.54178","CuKα","","0.0332","0.0305","","","0.0769","0.0778","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232398","33.6581","0.0006","9.4265","0.0002","6.8978","0.0001","90","","90","","90","","2188.52","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","opipramol dihydrochloride","4-{3-[2-azatricyclo[9.4.0.0^3,8^]pentadeca-1(15),3,5,7,11,13-\ hexaen-2-yl]propyl}-1-(2-hydroxyethyl)piperazine-1,4-diium dichloride","","- C23 H31 Cl2 N3 O -","- C23 H31 Cl2 N3 O -","- C92 H124 Cl8 N12 O4 -","4","1","MW2030","Betz, Richard; Gerber, Thomas; Hosten, Eric; Siddaraju, Budanoor P.; Yathirajan, Hemmige S.","Opipramol dihydrochloride","Acta Crystallographica Section E","2011","67","11","o2994","o2995","10.1107/S1600536811042280","","","0.71073","MoKα","","0.0312","0.0274","","","0.0692","0.0711","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232454","22.8482","0.001","31.2117","0.0013","3.9876","0.0002","90","","90","","90","","2843.7","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C128 H128 O32 S8 -","8","2","RZ2650","Fun, Hoong-Kun; Suwunwong, Thitipone; Anantapong, Teerasak; Karalai, Chatchanok; Chantrapromma, Suchada","(<i>E</i>)-1-(Thiophen-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","11","o3074","o3075","10.1107/S1600536811042930","","","0.71073","MoKα","","0.11","0.0657","","","0.1519","0.1776","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232696","12.047","0.002","8.229","0.0016","13.086","0.003","90","","90","","90","","1297.3","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide monohydrate","","- C11 H10 Cl2 N2 O3 -","- C11 H10 Cl2 N2 O3 -","- C44 H40 Cl8 N8 O12 -","4","1","GW2111","Wang, De-Cai; Huang, Liang-Cheng; Liu, Hua-Quan; Peng, Yu-Ran; Song, Jun-Song","<i>N</i>-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide monohydrate","Acta Crystallographica Section E","2011","67","12","o3207","","10.1107/S1600536811044734","","","0.71073","MoKα","","0.0613","0.0452","","","0.1083","0.1179","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232766","14.5219","0.0005","4.7949","0.0002","18.5368","0.0006","90","","90","","90","","1290.74","0.08","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate","","- C10 H8 Cl N3 O7 -","- C10 H8 Cl N3 O7 -","- C40 H32 Cl4 N12 O28 -","4","1","HG5145","Wu, Xiang-Xiang; Wu, Xue-Fen; Hou, Yi-Min; Ng, Seik Weng; Tiekink, Edward R. T.","Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate","Acta Crystallographica Section E","2011","67","12","o3486","","10.1107/S1600536811050446","","","0.71073","MoKα","","0.0349","0.0294","","","0.071","0.0738","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232772","22.5676","0.0019","22.033","0.0018","11.0614","0.0009","90","","90","","90","","5500.1","0.8","292","2","292","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[1,1'-Bis(diphenylphosphanyl)cobaltocenium]carbonylchloridohydrido (triphenylphosphane)ruthenium(II) hexafluoridophosphate dichloromethane disolvate","","- C55 H48 Cl5 Co F6 O P4 Ru -","- C55 H48 Cl5 Co F6 O P4 Ru -","- C220 H192 Cl20 Co4 F24 O4 P16 Ru4 -","4","1","HY2477","Hou, Jian-Guo","[1,1'-Bis(diphenylphosphanyl)cobaltocenium]carbonylchloridohydrido(triphenylphosphane)ruthenium(II) hexafluoridophosphate dichloromethane disolvate","Acta Crystallographica Section E","2011","67","12","m1671","m1672","10.1107/S1600536811044035","","","0.71073","MoKα","","0.0549","0.0478","","","0.108","0.1131","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232779","7.954","0.0003","13.2187","0.0003","15.1475","0.0003","90","","90","","90","","1592.63","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Poly[di-μ~2~-aqua-μ~5~-(pyridine-2,6-dicarboxylato)-μ~3~-(pyridine- 2,6-dicarboxylato)-cobalt(II)disodium]","","- C14 H10 Co N2 Na2 O10 -","- C14 H10 Co N2 Na2 O10 -","- C56 H40 Co4 N8 Na8 O40 -","4","1","HY2486","Boyko, Alexander N.; Golenya, Irina A.; Izotova, Yulia A.; Haukka, Matti; Prisyazhnaya, Elena V.","Poly[di-μ~2~-aqua-μ~5~-(pyridine-2,6-dicarboxylato)-μ~3~-(pyridine-2,6-dicarboxylato)-cobalt(II)disodium]","Acta Crystallographica Section E","2011","67","12","m1782","m1783","10.1107/S1600536811048252","","","0.71073","MoKα","","0.027","0.0227","","","0.0523","0.054","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232789","8.3372","0.0005","15.8303","0.001","6.618","0.001","90","","90","","90","","873.45","0.15","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(4,6-Dimethylpyrimidin-2-yl)thiourea","","- C7 H10 N4 S -","- C7 H10 N4 S -","- C28 H40 N16 S4 -","4","1","IM2335","Saeed, Sohail; Rashid, Naghmana; Jasinski, Jerry P.; Golen, James A.","1-(4,6-Dimethylpyrimidin-2-yl)thiourea","Acta Crystallographica Section E","2011","67","12","o3347","","10.1107/S1600536811048148","","","0.71073","MoKα","","0.0718","0.0527","","","0.1341","0.1442","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232887","16.604","0.0014","9.8516","0.0008","18.4154","0.0016","90","","90","","90","","3012.3","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)cadmium <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C22 H36 Cd N6 O12 -","- C22 H36 Cd N6 O12 -","- C88 H144 Cd4 N24 O48 -","4","1","PK2369","Tong, Shao-Wei; Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; An, Jing-Bo","Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cadmium <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","12","m1870","m1871","10.1107/S1600536811050264","","","0.71073","MoKα","","0.0588","0.0353","","","0.069","0.0791","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232984","21.102","0.004","9.487","0.003","7.226","0.002","90","","90","","90","","1446.6","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate","","- C9 H13 Cr N2 O11 -","- C9 H13 Cr N2 O11 -","- C36 H52 Cr4 N8 O44 -","4","1","WM2545","Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed","4-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate","Acta Crystallographica Section E","2011","67","12","m1648","m1649","10.1107/S1600536811044837","","","0.71073","MoKα","","0.0312","0.0253","","","0.063","0.0659","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233014","13.064","0.006","19.324","0.009","5.1989","0.0017","90","","90","","90","","1312.5","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[μ~2~-aqua-aqua-μ~5~-naphthalene-2,7-disulfonato-strontium]","","- C10 H10 O8 S2 Sr -","- C10 H10 O8 S2 Sr -","- C40 H40 O32 S8 Sr4 -","4","1","XU5381","Gao, Shan; Ng, Seik Weng","Poly[μ~2~-aqua-aqua-μ~5~-naphthalene-2,7-disulfonato-strontium]","Acta Crystallographica Section E","2011","67","12","m1787","","10.1107/S1600536811047313","","","0.71073","MoKα","","0.0327","0.0277","","","0.0682","0.0705","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233118","21.5817","0.0007","11.2676","0.0004","9.5025","0.0003","90","","90","","90","","2310.76","0.13","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid","","- C28 H18 O10 -","- C28 H18 O10 -","- C112 H72 O40 -","4","1","CV5208","Zhao, Ningning; Li, Wenjun; Chang, Zhidong; Sun, Changyan; Fan, Hongxia","3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid","Acta Crystallographica Section E","2012","68","1","o211","","10.1107/S1600536811053219","","","0.71073","MoKα","","0.0617","0.0478","","","0.1109","0.1175","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233124","8.427","0.003","10.439","0.004","15.724","0.006","90","","90","","90","","1383.2","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>'-[(<i>E</i>)-3-Phenylallylidene]benzohydrazide","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","CV5216","Deng, Gui-Ming; Chen, Zhen; Wang, Chao-Run; Zhang, He-Ming","(<i>E</i>)-<i>N</i>'-[(<i>E</i>)-3-Phenylallylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","1","o160","","10.1107/S1600536811053645","","","0.71073","MoKα","","0.1009","0.0406","","","0.0779","0.0957","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233137","22.6222","0.0009","6.0675","0.0002","4.7005","0.0002","90","","90","","90","","645.19","0.04","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-Aminophenyl)methanol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","FJ2480","Zipp, Caitlin F.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","(2-Aminophenyl)methanol","Acta Crystallographica Section E","2012","68","1","o174","","10.1107/S1600536811053657","","","0.71073","MoKα","","0.0317","0.03","","","0.0742","0.0754","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233232","10.474","0.006","11.676","0.007","3.674","0.002","90","","90","","90","","449.3","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1<i>H</i>-Imidazol-3-ium-4-carboxylate","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C16 H16 N8 O8 -","4","1","LD2040","Cao, Qiang; Duan, Bao-Rong; Zhu, Bin; Cao, Zhen","1<i>H</i>-Imidazol-3-ium-4-carboxylate","Acta Crystallographica Section E","2012","68","1","o134","o135","10.1107/S1600536811052998","","","0.71073","MoKα","","0.0323","0.0293","","","0.0786","0.0827","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233278","11.691","0.0017","18.786","0.003","11.7305","0.0015","90","","90","","90","","2576.3","0.6","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>rac</i>-Diethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]- 4,5-dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate","","- C26 H33 N O7 -","- C26 H33 N O7 -","- C104 H132 N4 O28 -","4","1","RK2310","Inglebert, S. Antony; Sethusankar, K.; Arun, Yuvaraj; Perumal, Paramasivam T.","<i>rac</i>-Diethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-4,5-dihydropyrano[3,2-<i>c</i>]chromene-3,4-dicarboxylate","Acta Crystallographica Section E","2012","68","1","o112","","10.1107/S1600536811051786","","","0.71073","MoKα","","0.0847","0.0488","","","0.1197","0.1477","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233315","16.236","0.003","12.542","0.002","9.9233","0.0017","90","","90","","90","","2020.7","0.6","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>cis</i>-Dichloridobis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C20 H18 Cl2 Mn N6 -","- C20 H18 Cl2 Mn N6 -","- C80 H72 Cl8 Mn4 N24 -","4","1","WM2573","Ha, Kwang","<i>cis</i>-Dichloridobis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section E","2012","68","1","m45","","10.1107/S1600536811052834","","","0.71073","MoKα","","0.0776","0.0418","","","0.0725","0.092","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233351","8.254","0.008","5.626","0.006","25.74","0.03","90","","90","","90","","1195","2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","6-[(<i>E</i>)-2-Phenylvinyl]-1<i>H</i>-indole","","- C16 H13 N -","- C16 H13 N -","- C64 H52 N4 -","4","1","ZS2163","Ge, Yu-Hua; Zhang, Chen-Guang; Luo, Yang-Hui","6-[(<i>E</i>)-2-Phenylvinyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","1","o73","","10.1107/S1600536811051750","","","0.71073","MoKα","","0.0563","0.0457","","","0.1226","0.1318","","","","","","1.077","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233459","8.7943","0.0002","17.44","0.0002","8.661","0.0003","90","","90","","90","","1328.36","0.06","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","tripotassium dialuminotriarsenate(V)","","- Al2 As3 K3 O12 -","- Al2 As3 K3 O12 -","- Al8 As12 K12 O48 -","4","1","GW2112","Stöger, Berthold; Weil, Matthias","K~3~Al~2~As~3~O~12~","Acta Crystallographica Section E","2012","68","2","i15","","10.1107/S1600536812000438","","","0.71073","MoKα","","0.0229","0.0179","","","0.0376","0.0391","","","","","","0.8","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233480","7.2959","0.0001","16.3853","0.0002","13.0028","0.0002","90","","90","","90","","1554.43","0.04","100","1","100","1","","","","","","","","3","P n a 21","P 2c -2n","33","","10-(4-Methylbenzylidene)anthracen-9(10<i>H</i>)-one","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","HB6592","Almansour, Abdulrahman I.; Arumugam, Natarajan; Karama, Usama; Razak, Ibrahim Abdul; Arshad, Suhana","10-(4-Methylbenzylidene)anthracen-9(10<i>H</i>)-one","Acta Crystallographica Section E","2012","68","2","o478","o479","10.1107/S1600536812000827","","","0.71073","MoKα","","0.046","0.0431","","","0.1195","0.122","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233561","24.3527","0.001","7.2374","0.0003","7.0063","0.0003","90","","90","","90","","1234.86","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone","","- C13 H14 N2 O S -","- C13 H14 N2 O S -","- C52 H56 N8 O4 S4 -","4","1","LR2042","Garibov, Emin N.; Gojayeva, Sevinj S.; Allahverdiyev, Mirze A.; Gurbanov, Atash V. Gurbanov; Brito, Iván","1-(6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone","Acta Crystallographica Section E","2012","68","2","o276","","10.1107/S1600536811055309","","","0.71073","MoKα","","0.0545","0.0513","","","0.1365","0.1406","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233583","11.157","0.002","5.3216","0.001","13.689","0.003","90","","90","","90","","812.8","0.3","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-(Pyridin-2-yl)-1,3-dithiol-2-one","","- C8 H5 N O S2 -","- C8 H5 N O S2 -","- C32 H20 N4 O4 S8 -","4","1","PK2379","Zhou, Guoquan; Chen, Xinzhi","4-(Pyridin-2-yl)-1,3-dithiol-2-one","Acta Crystallographica Section E","2012","68","2","o432","","10.1107/S1600536812001407","","","0.71075","MoKα","","0.0339","0.0315","","","0.0792","0.0807","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233585","12.0911","0.0003","19.4713","0.0003","6.4482","0.0001","90","","90","","90","","1518.1","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Bromophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C68 H60 Br4 O8 S4 -","4","1","PK2381","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o456","","10.1107/S1600536812001547","","","0.71073","MoKα","","0.039","0.0317","","","0.0748","0.0784","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233611","14.0061","0.0006","14.1511","0.0006","10.4179","0.0004","90","","90","","90","","2064.85","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3'-[(4-Nitrophenyl)methylene]bis(4-hydroxy-2<i>H</i>-chromen-2-one)","","- C25 H15 N O8 -","- C25 H15 N O8 -","- C100 H60 N4 O32 -","4","1","RK2323","Ravikumar, N.; Gopikrishna, G.; Solomon, K. Anand","3,3'-[(4-Nitrophenyl)methylene]bis(4-hydroxy-2<i>H</i>-chromen-2-one)","Acta Crystallographica Section E","2012","68","2","o265","","10.1107/S1600536811054778","","","0.71073","MoKα","","0.0398","0.0326","","","0.0843","0.0892","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233620","14.8168","0.0014","10.6687","0.0009","7.3518","0.0007","90","","90","","90","","1162.14","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-1,2,3-benzotriazol-1-ido- κ^2^<i>N</i>^1^:<i>N</i>^3^]","","- C9 H13 N3 Sn -","- C9 H13 N3 Sn -","- C36 H52 N12 Sn4 -","4","1","RZ2693","Li, Yuanyuan; Liu, Jianmin; Li, Dacheng","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-1,2,3-benzotriazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2012","68","2","m169","","10.1107/S1600536811055176","","","0.71073","MoKα","","0.0534","0.0295","","","0.0876","0.1368","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233696","12.09","0.0004","20.8119","0.001","6.4865","0.0002","90","","90","","90","","1632.11","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Bromophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C72 H68 Br4 O8 S4 -","4","1","XU5447","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o481","","10.1107/S1600536812001973","","","0.71073","MoKα","","0.0484","0.0336","","","0.0707","0.0757","","","","","","0.989","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233767","8.1743","0.0004","16.6121","0.0009","9.0856","0.0005","90","","90","","90","","1233.75","0.11","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,2,3-Trimethoxy-4,5,6-trinitrobenzene","","- C9 H9 N3 O9 -","- C9 H9 N3 O9 -","- C36 H36 N12 O36 -","4","1","CV5240","Merten, Günter J.; Neis, Christian; Hegetschweiler, Kaspar","1,2,3-Trimethoxy-4,5,6-trinitrobenzene","Acta Crystallographica Section E","2012","68","3","o694","","10.1107/S1600536812004783","","","0.71073","MoKα","","0.052","0.0344","","","0.0724","0.0806","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233794","7.4939","0.0008","19.446","0.002","7.0227","0.0007","90","","90","","90","","1023.39","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(3-Aminopyridinium-1-yl)-3-carboxypropanoate monohydrate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","1","FJ2513","Millán Corrales, Guadalupe; Morales-Morales, David; Hernández-Ortega, Simón; Campos-Gaxiola, José J.; Cruz Enríquez, Adriana","2-(3-Aminopyridinium-1-yl)-3-carboxypropanoate monohydrate","Acta Crystallographica Section E","2012","68","3","o853","","10.1107/S1600536812006897","","","0.71073","MoKα","","0.033","0.0281","","","0.0562","0.0575","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233952","23.642","0.005","16.171","0.004","5.1523","0.0011","90","","90","","90","","1969.8","0.8","93","","93","","","","","","","","","3","P n a 21","P 2c -2n","33","","9-Ethynyl-9<i>H</i>-carbazole","","- C14 H9 N -","- C14 H9 N -","- C112 H72 N8 -","8","2","NK2144","Tabata, Hideyuki; Okuno, Tsunehisa","9-Ethynyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","3","o828","","10.1107/S1600536812007143","","","0.71075","MoKα","","","0.0501","","","","0.1343","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234051","17.917","0.004","7.3094","0.0015","14.093","0.003","90","","90","","90","","1845.7","0.7","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2<i>E</i>,6<i>E</i>)-2,6-Bis(2,6-dichlorobenzylidene)cyclohexanone","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C80 H56 Cl16 O4 -","4","1","XU5466","Mahdavinia, Gholam Hossein; Mirzazadeh, Maryam; Amani, Vahid; Notash, Behrouz","(2<i>E</i>,6<i>E</i>)-2,6-Bis(2,6-dichlorobenzylidene)cyclohexanone","Acta Crystallographica Section E","2012","68","3","o778","","10.1107/S1600536812006629","","","0.71073","MoKα","","0.0338","0.0306","","","0.0697","0.0711","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234094","12.7767","0.001","13.0764","0.001","10.7711","0.0008","90","","90","","90","","1799.6","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Cyclohexyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C21 H21 F O2 S -","- C21 H21 F O2 S -","- C84 H84 F4 O8 S4 -","4","1","BH2416","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o944","","10.1107/S1600536812008343","","","0.71073","MoKα","","0.0474","0.0414","","","0.0925","0.0958","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234205","13.9632","0.0006","10.9908","0.0005","11.8465","0.0005","90","","90","","90","","1818.04","0.14","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl 2,6-dimethyl-4-(3-phenyl-1<i>H</i>-pyrazol-4-yl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C80 H84 N12 O16 -","4","1","HB6648","Fun, Hoong-Kun; Arshad, Suhana; Malladi, Shridhar; Shivananda, Kammasandra Nanjunda; Isloor, Arun M.","Dimethyl 2,6-dimethyl-4-(3-phenyl-1<i>H</i>-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","4","o922","o923","10.1107/S1600536812008306","","","0.71073","MoKα","","0.0325","0.0297","","","0.0775","0.0796","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234435","19.364","0.012","4.459","0.003","31.775","0.019","90","","90","","90","","2744","3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-Benzaldehyde <i>O</i>-{[3-(pyridin-3-yl)isoxazol-5-yl]methyl}oxime","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C128 H104 N24 O16 -","8","2","VM2159","Moreno-Fuquen, Rodolfo; Loaiza, Alix Elena; Diaz-Velandia, John; Kennedy, Alan R.; Morrison, Catriona A.","(<i>E</i>)-Benzaldehyde <i>O</i>-{[3-(pyridin-3-yl)isoxazol-5-yl]methyl}oxime","Acta Crystallographica Section E","2012","68","4","o1080","","10.1107/S1600536812010732","","","0.71075","MoKα","","0.0785","0.0591","","","0.1246","0.1357","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234454","19.5557","0.0009","3.8732","0.0002","11.9823","0.0005","90","","90","","90","","907.58","0.07","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(4-Nitrobenzylidene)malononitrile","2-(4-Nitrobenzylidene)propanedinitrile","","- C10 H5 N3 O2 -","- C10 H5 N3 O2 -","- C40 H20 N12 O8 -","4","1","XU5449","Chang, Ming-Jen; Fang, Tzu-Chien; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","2-(4-Nitrobenzylidene)malononitrile","Acta Crystallographica Section E","2012","68","4","o957","","10.1107/S1600536812008896","","","1.54178","CuKα","","0.0363","0.0342","","","0.0895","0.0909","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234604","13.072","0.002","6.179","0.0011","17.979","0.003","90","","90","","90","","1452.2","0.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,5-Dimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C68 H64 O8 S4 -","4","1","FY2054","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2,5-Dimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","5","o1410","","10.1107/S1600536812015450","","","0.71073","MoKα","","0.0449","0.0356","","","0.0842","0.0897","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234631","18.0371","0.0007","12.0249","0.0004","7.843","0.0002","90","","90","","90","","1701.1","0.1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{4-[Acetyl(ethyl)amino]benzenesulfonamido}benzoic acid","","- C17 H18 N2 O5 S -","- C17 H18 N2 O5 S -","- C68 H72 N8 O20 S4 -","4","1","HB6720","Mustafa, Ghulam; Khan, Islam Ullah; Khan, Farhan Mehmood; Akkurt, Mehmet","2-{4-[Acetyl(ethyl)amino]benzenesulfonamido}benzoic acid","Acta Crystallographica Section E","2012","68","5","o1305","","10.1107/S1600536812013864","","","0.71073","MoKα","","0.0426","0.0348","","","0.0885","0.0927","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234703","8.2291","0.0009","22.02","0.003","7.3355","0.0011","90","","90","","90","","1329.2","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[2-(Trifluoromethyl)phenyl]-2<i>H</i>-1-benzopyran-4(3<i>H</i>)-one","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C64 H44 F12 O8 -","4","1","KJ2198","Francuski, Bojana M.; Ivković, Branka; Stojanović, Ivana; Vladimirov, Sote; Francuski, Djordje","2-[2-(Trifluoromethyl)phenyl]-2<i>H</i>-1-benzopyran-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1522","","10.1107/S160053681201687X","","","0.71073","MoKα","","0.1537","0.0868","","","0.0934","0.1093","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234767","18.4179","0.0009","5.7697","0.0004","12.4403","0.0006","90","","90","","90","","1321.98","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-succinimidoanthracene","1-(Anthracen-1-yl)pyrrolidine-2,5-dione","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","RK2341","Khorasani, Sanaz; Fernandes, Manuel A.","1-(Anthracen-1-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section E","2012","68","5","o1503","","10.1107/S160053681201536X","","","0.71073","MoKα","","0.062","0.0409","","","0.0822","0.0882","","","","","","0.948","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234826","9.3375","0.0016","9.7194","0.0016","14.214","0.003","90","","90","","90","","1290","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-4-Amino-<i>N'</i>-(5-chloro-2-hydroxybenzylidene)benzohydrazide","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","TK5088","Shi, Zhong-Feng; Li, Jia-Ming","(<i>E</i>)-4-Amino-<i>N</i>'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1546","o1547","10.1107/S160053681201803X","","","0.71073","MoKα","","0.0334","0.0326","","","0.0839","0.0844","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234854","6.8437","0.0003","13.3207","0.0005","17.9045","0.0007","90","","90","","90","","1632.23","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[pentaaquacerium(III)]-μ-pyridine-2,4,6-tricarboxylato- κ^4^<i>N</i>,<i>O</i>^2^,<i>O</i>^6^:<i>O</i>^6'^)] tetrahydrate]","","- C8 H20 Ce N O15 -","- C8 H20 Ce N O15 -","- C32 H80 Ce4 N4 O60 -","4","1","XU5510","Sharif, Shahzad; Khan, Islam Ullah; Zaheer, Samia; Ng, Seik Weng","<i>catena</i>-Poly[[[pentaaquacerium(III)]-μ-pyridine-2,4,6-tricarboxylato-κ^4^<i>N</i>,<i>O</i>^2^,<i>O</i>^6^:<i>O</i>^6'^] tetrahydrate]","Acta Crystallographica Section E","2012","68","5","m624","m625","10.1107/S1600536812015887","","","0.71073","MoKα","","0.0394","0.0331","","","0.0724","0.0775","","","","","","1.065","","","","has coordinates,has Fobs","194589","2020-10-21","18:00:00",""
"2234877","34.05","0.004","14.1831","0.001","7.8764","0.0006","90","","90","","90","","3803.8","0.6","291","2","291.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^<i>O</i>^2^:<i>O</i>^3^]]","","- C40 H32 Cl2 N4 O9 Zn2 -","- C40 H32 Cl2 N4 O9 Zn2 -","- C160 H128 Cl8 N16 O36 Zn8 -","4","1","ZQ2156","Zhu, Yu; Li, Hai-Yang; Ma, Ming-Li","<i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^]]","Acta Crystallographica Section E","2012","68","5","m574","m575","10.1107/S1600536812014006","","","0.7107","MOKα","","0.0769","0.0561","","","0.0964","0.1041","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234951","9.746","0.003","6.077","0.003","20.797","0.007","90","","90","","90","","1231.7","0.8","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-<i>N</i>-(2-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BT5935","Rodrigues, Vinola Z.; Gowda, B. Thimme; Sivý, Július; Vrábel, Viktor; Kožíšek, Jozef","2-Chloro-<i>N</i>-(2-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","6","o1936","","10.1107/S1600536812023902","","","0.71073","MoKα","","0.1218","0.068","","","0.128","0.1474","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235116","13.677","0.003","16.42","0.003","7.949","0.0016","90","","90","","90","","1785.2","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","","- C19 H19 Cl O4 -","- C19 H19 Cl O4 -","- C76 H76 Cl4 O16 -","4","1","JJ2137","Yang, Zhao; Wang, Zhi-Xiang","Ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","Acta Crystallographica Section E","2012","68","6","o1750","","10.1107/S1600536812021149","","","0.71073","MoKα","","0.1338","0.0683","","","0.1488","0.1796","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235160","7.07","0.0014","13.441","0.003","10.156","0.002","90","","90","","90","","965.1","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,8-Dimethyl-4-oxo-3,4-dihydroquinazoline-6-carbonitrile","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","LX2242","Tian, Hai-Yan; Bi, Jian-Cong; Zhang, Hong-Xia; Zhang, Juan","3,8-Dimethyl-4-oxo-3,4-dihydroquinazoline-6-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1959","","10.1107/S1600536812022088","","","0.71073","MoKα","","0.0375","0.0347","","","0.0941","0.0954","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235163","20.522","0.0017","14.1916","0.0011","6.006","0.0004","90","","90","","90","","1749.2","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropylidene]amino}-3-(2- methylphenyl)urea","","- C20 H21 N5 O -","- C20 H21 N5 O -","- C80 H84 N20 O4 -","4","1","MW2069","Attia, Mohamed I.; Aboul-Enein, Mohamed N.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropylidene]amino}-3-(2-methylphenyl)urea","Acta Crystallographica Section E","2012","68","6","o1848","o1849","10.1107/S1600536812022659","","","0.71073","MoKα","","0.0612","0.0451","","","0.0893","0.0973","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235224","10.1367","0.0005","16.2964","0.0007","17.8995","0.0008","90","","90","","90","","2956.8","0.2","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis(4'-chloro-2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) dichloride dihydrate","","- C30 H24 Cl4 N6 O2 Ru -","- C30 H24 Cl4 N6 O2 Ru -","- C120 H96 Cl16 N24 O8 Ru4 -","4","1","RZ2748","Wang, Ying; Jiao, Rui; Qiu, Xiang-Lei; Wang, Jian; Huang, Wei","Bis(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) dichloride dihydrate","Acta Crystallographica Section E","2012","68","6","m777","m778","10.1107/S1600536812021459","","","0.71073","MoKα","","0.0376","0.0342","","","0.0828","0.0844","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235338","13.865","0.002","11.531","0.0018","18.86","0.003","90","","90","","90","","3015.3","0.8","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato- κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate","","- C24 H30 N4 Ni O12 S2 -","- C24 H30 N4 Ni O12 S2 -","- C96 H120 N16 Ni4 O48 S8 -","4","1","ZS2208","Li, Chao-Zhu; Huang, Xue-Ren","Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato-κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","6","m809","m810","10.1107/S1600536812022179","","","0.71073","MoKα","","0.0368","0.0339","","","0.0966","0.1002","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235424","24.7989","0.001","3.9976","0.0002","11.3163","0.0005","90","","90","","90","","1121.85","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2<i>E</i>)-2-(Thiophen-2-ylmethylidene)-1,2,3,4-tetrahydronaphthalen-1-one","","- C15 H12 O S -","- C15 H12 O S -","- C60 H48 O4 S4 -","4","1","GG2087","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-(Thiophen-2-ylmethylidene)-1,2,3,4-tetrahydronaphthalen-1-one","Acta Crystallographica Section E","2012","68","7","o2298","","10.1107/S1600536812029169","","","0.71073","MoKα","","0.0398","0.0369","","","0.0935","0.0967","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235473","17.0666","0.0006","8.7147","0.0003","7.9931","0.0002","90","","90","","90","","1188.82","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-(3-Fluoroanilino)thieno[2,3-<i>b</i>]pyridine-6-carboxylic acid","","- C14 H9 F N2 O2 S -","- C14 H9 F N2 O2 S -","- C56 H36 F4 N8 O8 S4 -","4","1","HB6844","Pinheiro, Luiz C. S.; Bernardino, Alice M. R.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","4-(3-Fluoroanilino)thieno[2,3-<i>b</i>]pyridine-6-carboxylic acid","Acta Crystallographica Section E","2012","68","7","o2217","o2218","10.1107/S1600536812027195","","","0.71073","MoKα","","0.0432","0.0353","","","0.0841","0.0872","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2235484","24.2707","0.0017","5.1322","0.0002","10.5192","0.0004","90","","90","","90","","1310.29","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-2-Hydroxybenzylidene]-3-phenylprop- 2-enohydrazide","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HB6860","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>)-2-Hydroxybenzylidene]-3-phenylprop-2-enohydrazide","Acta Crystallographica Section E","2012","68","7","o2253","o2254","10.1107/S1600536812028516","","","0.71073","MoKα","","0.03","0.0283","","","0.0735","0.0749","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235565","11.28642","0.00013","10.98496","0.00014","10.58826","0.00012","90","","90","","90","","1312.74","0.03","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide","","- C H4 F2 N2 O4 S2 -","- C H4 F2 N2 O4 S2 -","- C8 H32 F16 N16 O32 S16 -","8","2","PK2414","Finze, Maik; Reiss, Guido J.","Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide","Acta Crystallographica Section E","2012","68","7","o1992","o1993","10.1107/S1600536812024221","","","0.71073","MoKα","","0.0194","0.0189","","","0.0482","0.0485","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235604","22.185","0.004","3.7457","0.0006","11.894","0.002","90","","90","","90","","988.4","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(2,4-Difluorophenyl)-5-nitropyridine","","- C11 H6 F2 N2 O2 -","- C11 H6 F2 N2 O2 -","- C44 H24 F8 N8 O8 -","4","1","RZ2765","Sun, Feng; Shen, Xuan; Zhao, Rui; Wang, Xin; Zhu, Dun-Ru","2-(2,4-Difluorophenyl)-5-nitropyridine","Acta Crystallographica Section E","2012","68","7","o2001","","10.1107/S1600536812024713","","","0.71073","MoKα","","0.046","0.0338","","","0.0754","0.081","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235629","9.4243","0.0008","9.7975","0.0009","14.1924","0.001","90","","90","","90","","1310.45","0.19","296","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-4-Amino-<i>N</i>'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","SU2449","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(<i>E</i>)-4-Amino-<i>N</i>'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2118","o2119","10.1107/S1600536812025974","","","0.71073","MoKα","","0.043","0.0351","","","0.0798","0.0841","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235702","18.179","0.003","12.4052","0.0016","4.4529","0.0005","90","","90","","90","","1004.2","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Ethoxymethyl-1,4-dihydroquinolin-4-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","XU5578","Zaghary, Wafaa A.; Al-Wabli, Reem I.; Ng, Seik Weng","3-Ethoxymethyl-1,4-dihydroquinolin-4-one","Acta Crystallographica Section E","2012","68","7","o2234","","10.1107/S1600536812028383","","","0.71073","MoKα","","0.0947","0.0553","","","0.0968","0.1161","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235747","9.5154","0.0002","5.4338","0.0001","10.7104","0.0002","90","","90","","90","","553.779","0.019","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-Dinitrosoimidazolidine","","- C3 H6 N4 O2 -","- C3 H6 N4 O2 -","- C12 H24 N16 O8 -","4","1","BT5956","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","1,3-Dinitrosoimidazolidine","Acta Crystallographica Section E","2012","68","8","o2440","","10.1107/S1600536812030796","","","1.5418","CuKα","","0.0397","0.0394","","","0.1257","0.126","","","","","","2.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235802","12.618","0.003","5.1871","0.001","9.874","0.002","90","","90","","90","","646.3","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1<i>H</i>-Tetrazol-1-yl)acetic acid monohydrate","","- C3 H6 N4 O3 -","- C3 H6 N4 O3 -","- C12 H24 N16 O12 -","4","1","FY2060","Wang, Wen-Xiang","2-(1<i>H</i>-Tetrazol-1-yl)acetic acid monohydrate","Acta Crystallographica Section E","2012","68","8","o2561","","10.1107/S1600536812033090","","","0.71073","MoKα","","0.0343","0.0297","","","0.067","0.0688","","","","","","1.166","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235803","27.382","0.004","6.5083","0.0007","13.369","0.002","90","","90","","90","","2382.5","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(Adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4- triazole-5(4<i>H</i>)-thione","","- C25 H35 N5 S -","- C25 H35 N5 S -","- C100 H140 N20 S4 -","4","1","FY2061","El-Emam, Ali A.; Al-Abdullah, Ebtehal S.; Al-Tuwaijri, Hanaa M.; Said-Abdelbaky, Mohammed; García-Granda, Santiago","3-(Adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","8","o2380","o2381","10.1107/S160053681202990X","","","1.54184","CuKα","","0.1009","0.0565","","","0.1048","0.1279","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235947","7.4004","0.0003","22.4857","0.0009","13.4465","0.0005","90","","90","","90","","2237.54","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine","","- C27 H29 F N2 O -","- C27 H29 F N2 O -","- C108 H116 F4 N8 O4 -","4","1","PV2563","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine","Acta Crystallographica Section E","2012","68","8","o2312","o2313","10.1107/S1600536812029327","","","0.71073","MoKα","","0.0546","0.0414","","","0.0907","0.1009","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235954","27.4331","0.0015","7.4519","0.0005","9.2598","0.0006","90","","90","","90","","1893","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","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>-(2-fluorobenzyl)acetamide","","- C20 H19 F N4 O3 S -","- C20 H19 F N4 O3 S -","- C80 H76 F4 N16 O12 S4 -","4","1","QM2076","Ahmad, Matloob; Siddiqui, Hamid Latif; Ahmad, Naveed; Aslam, Sana; 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>-(2-fluorobenzyl)acetamide","Acta Crystallographica Section E","2012","68","8","o2470","o2471","10.1107/S160053681203187X","","","1.54178","CuKα","","0.0585","0.049","","","0.133","0.1461","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236150","10.249","0.002","13.182","0.003","13.435","0.003","90","","90","","90","","1815.1","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-[(2-Methylpiperidin-1-yl)(phenyl)methyl]naphthalen-2-ol","","- C23 H25 N O -","- C23 H25 N O -","- C92 H100 N4 O4 -","4","1","CV5314","Huang, Yao","1-[(2-Methylpiperidin-1-yl)(phenyl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","10","o2943","","10.1107/S1600536812038652","","","0.71073","MoKα","","0.0733","0.0542","","","0.142","0.1624","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236211","13.791","0.0003","22.668","0.0005","5.634","0.0001","90","","90","","90","","1761.27","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate‒isonicotinamide (1/1)","","- C14 H13 Cl3 N4 O4 -","- C14 H13 Cl3 N4 O4 -","- C56 H52 Cl12 N16 O16 -","4","1","GG2095","Perdih, Franc","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate‒isonicotinamide (1/1)","Acta Crystallographica Section E","2012","68","9","o2818","","10.1107/S1600536812037002","","","0.71073","MoKα","","0.0476","0.04","","","","0.0914","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236286","8.6268","0.0007","22.487","0.002","4.0585","0.0003","90","","90","","90","","787.31","0.11","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","6-Bromo-1,3-benzothiazol-2-amine","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C28 H20 Br4 N8 S4 -","4","1","HB6956","Gao, Xing-Jun; Jin, Shou-Wen; Huang, Yan-Fei; Zhou, Yong; Zhou, Ying-Ping","6-Bromo-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","10","o3016","","10.1107/S1600536812040123","","","0.71073","MoKα","","0.1404","0.0953","","","0.2108","0.2455","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236442","22.3528","0.0013","8.1659","0.0005","19.7132","0.0012","90","","90","","90","","3598.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Ethyl 6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-enecarboxylate","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","2","LH5518","Fun, Hoong-Kun; Farhadikoutenaei, Abbas; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","Ethyl 6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-enecarboxylate","Acta Crystallographica Section E","2012","68","9","o2788","o2789","10.1107/S1600536812036446","","","0.71073","MoKα","","0.0576","0.0493","","","0.1338","0.1393","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236461","15.572","0.005","18.706","0.005","15.853","0.005","90","","90","","90","","4618","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakis(5,7-dimethylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dimethylformamide disolvate","","- C50 H54 N6 O6 Zr -","- C50 H54 N6 O6 Zr -","- C200 H216 N24 O24 Zr4 -","4","1","LH5537","Steyn, Maryke; Visser, Hendrik G.; Roodt, Andreas","Tetrakis(5,7-dimethylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zirconium(IV) dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","11","m1344","m1345","10.1107/S1600536812042092","","","0.71073","MoKα","","0.066","0.0411","","","","0.0985","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236589","18.493","0.004","13.815","0.003","5.06","0.001","90","","90","","90","","1292.7","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-<i>N</i>-[1-(4-chlorophenyl)-3-cyano-1<i>H</i>-pyrazol-5-yl]acetamide","","- C12 H8 Cl2 N4 O -","- C12 H8 Cl2 N4 O -","- C48 H32 Cl8 N16 O4 -","4","1","RN2106","Mu, Hai-ping; Yang, Yang; Jiang, Qiang-hua; Fu, Xiao-dong; Wan, Rong","2-Chloro-<i>N</i>-[1-(4-chlorophenyl)-3-cyano-1<i>H</i>-pyrazol-5-yl]acetamide","Acta Crystallographica Section E","2012","68","11","o3249","","10.1107/S1600536812043966","","","0.71073","MoKα","","0.0461","0.0371","","","0.0938","0.0991","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236602","7.4877","0.0004","27.2166","0.0015","6.1902","0.0003","90","","90","","90","","1261.5","0.11","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-(5-Chloro-1,3-benzothiazol-2-yl)-4-methoxyphenol","","- C14 H10 Cl N O2 S -","- C14 H10 Cl N O2 S -","- C56 H40 Cl4 N4 O8 S4 -","4","1","RZ5002","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil","2-(5-Chloro-1,3-benzothiazol-2-yl)-4-methoxyphenol","Acta Crystallographica Section E","2012","68","10","o2877","","10.1107/S1600536812037804","","","0.71073","MoKα","","0.0275","0.026","","","0.0678","0.069","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236745","12.1028","0.0005","16.3934","0.0007","7.0962","0.0003","90","","90","","90","","1407.93","0.1","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-<i>c</i>][1,2]benzothiazine 5,5-dioxide","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C64 H52 N12 O8 S4 -","4","1","YK2066","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Zia-ur-Rehman, Muhammad; Parvez, Masood","4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-<i>c</i>][1,2]benzothiazine 5,5-dioxide","Acta Crystallographica Section E","2012","68","9","o2615","o2616","10.1107/S1600536812033284","","","0.71073","MoKα","","0.0556","0.0485","","","0.1045","0.1118","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236800","7.184","0.0001","12.5079","0.0001","19.9527","0.0001","90","","90","","90","","1792.88","0.03","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2,4,6-Tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)-1,3,5-triazine","","- C18 H21 N9 -","- C18 H21 N9 -","- C72 H84 N36 -","4","1","ZS2237","Ng, Seik Weng","A second polymorph of 2,4,6-tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)-1,3,5-triazine","Acta Crystallographica Section E","2012","68","11","o3201","","10.1107/S1600536812043255","","","1.54184","CuKα","","0.028","0.028","","","0.0789","0.079","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236803","19.94","0.003","12.2947","0.0014","10.9508","0.0014","90","","90","","90","","2684.7","0.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis(2-{[bis(dimethylamino)methylidene]amino-κ<i>N</i>}benzenesulfonato-κ<i>N</i>)copper(II)","","- C22 H32 Cu N6 O6 S2 -","- C22 H32 Cu N6 O6 S2 -","- C88 H128 Cu4 N24 O24 S8 -","4","1","AA2076","Neuba, Adam; Flörke, Ulrich; Henkel, Gerald","Bis(2-{[bis(dimethylamino)methylidene]amino-κ<i>N</i>}benzenesulfonato-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2012","68","12","m1482","","10.1107/S1600536812046387","","","0.71073","MoKα","","0.0625","0.0435","","","0.087","0.0932","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236826","14.708","0.001","7.941","0.0007","24.741","0.002","90","","90","","90","","2889.7","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(3,5-Dimethylphenyl)-4-nitrobenzenesulfonamide","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C112 H112 N16 O32 S8 -","8","2","BT6865","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3,5-Dimethylphenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3425","","10.1107/S1600536812047502","","","0.71073","MoKα","","0.0689","0.0389","","","0.065","0.0743","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236850","12.1614","0.001","22.4915","0.0018","5.0444","0.0004","90","","90","","90","","1379.79","0.19","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-chloro-3-(p-tolylamino)naphthalene-1,4-dione","2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","DS2213","Gao, Li-Jiu; Liu, Yun","2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione","Acta Crystallographica Section E","2012","68","12","o3378","","10.1107/S1600536812045229","","","0.71073","MoKα","","0.0452","0.0398","","","0.1038","0.1193","","","","","","1.268","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236886","13.5954","0.0003","8.0683","0.0002","25.9554","0.0007","90","","90","","90","","2847.09","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2<i>H</i>-1λ^6^,2,6-thiadiazin-4-yl)benzoate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C112 H128 N16 O32 S8 -","8","2","HB6962","Bhatt, Nilay; Bhatt, Pralav; Nimavat, Kiran; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2<i>H</i>-1λ^6^,2,6-thiadiazin-4-yl)benzoate","Acta Crystallographica Section E","2012","68","12","o3360","","10.1107/S1600536812046375","","","0.71073","MoKα","","0.0649","0.0372","","","0.0742","0.0825","","","","","","0.985","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236900","9.09","0.0008","9.9396","0.0009","13.8615","0.0012","90","","90","","90","","1252.4","0.19","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>'-(3-Chlorobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","HB6997","Saad, Syed Muhammad; Fatima, Itrat; Perveen, Shahnaz; Khan, Khalid M.; Yousuf, Sammer","<i>N</i>'-(3-Chlorobenzylidene)-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2012","68","12","o3499","","10.1107/S1600536812048325","","","0.71073","MoKα","","0.0448","0.0365","","","0.0762","0.081","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236940","14.09072","0.00013","15.048","0.00015","10.39178","0.00012","90","","90","","90","","2203.44","0.04","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3,6,6-Tetramethyl-9-(1-methyl-1<i>H</i>-indol-2-yl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C104 H120 N8 O8 -","4","1","JJ2157","Öztürk Yildirim, Sema; Butcher, Ray J.; El-Khouly, Ahmed; Safak, Cihat; Şimsek, Rahime","3,3,6,6-Tetramethyl-9-(1-methyl-1<i>H</i>-indol-2-yl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2012","68","12","o3365","o3366","10.1107/S1600536812045722","","","1.54178","CuKα","","0.0363","0.0361","","","0.0959","0.0963","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236954","18.725","0.004","4.6256","0.001","11.319","0.002","90","","90","","90","","980.4","0.3","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Amino-5-methylpyridinium trifluoroacetate","","- C8 H9 F3 N2 O2 -","- C8 H9 F3 N2 O2 -","- C32 H36 F12 N8 O8 -","4","1","LH5549","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium trifluoroacetate","Acta Crystallographica Section E","2012","68","12","o3319","o3320","10.1107/S1600536812045291","","","0.71073","MoKα","","0.0601","0.046","","","0.1048","0.114","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236958","30.179","0.003","3.9127","0.0003","13.7363","0.0012","90","","90","","90","","1622","0.2","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","LH5555","Lee, Ha-Jin; Lim, Yoongho; Koh, Dongsoo","(<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3403","","10.1107/S1600536812046715","","","0.71073","MoKα","","0.1055","0.0439","","","0.0723","0.1021","","","","","","0.936","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237046","12.556","0.005","20.881","0.008","4.6651","0.0018","90","","90","","90","","1223.1","0.8","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Benzyl-1<i>H</i>-benzotriazole 3-oxide monohydrate","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","TK5165","Selvarathy Grace, P.; Jebas, Samuel Robinson; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyl-1<i>H</i>-benzotriazole 3-oxide monohydrate","Acta Crystallographica Section E","2012","68","12","o3297","","10.1107/S1600536812044868","","","0.71073","MoKα","","0.0928","0.052","","","0.1191","0.1403","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237204","14.6042","0.0008","12.1781","0.0007","5.607","0.0003","90","","90","","90","","997.21","0.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-Nitrophenyl)-1<i>H</i>-imidazol-3-ium chloride","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","NR2034","Ibrahim, Halliru; Bala, Muhammad D.","1-(4-Nitrophenyl)-1<i>H</i>-imidazol-3-ium chloride","Acta Crystallographica Section E","2013","69","1","o114","","10.1107/S1600536812050878","","","0.71073","MoKα","","0.0311","0.029","","","0.0735","0.0758","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237274","8.0265","0.0005","25.7011","0.0015","9.7763","0.0006","90","","90","","90","","2016.8","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 4'-(4-fluorophenyl)-1'-methyl-3'-nitromethyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C21 H20 F N3 O5 -","- C21 H20 F N3 O5 -","- C84 H80 F4 N12 O20 -","4","1","BH2472","Revathi, B. K.; Sathya, S.; Usha, G.; Murugan, G.; Bakthadoss, M.","Methyl 4'-(4-fluorophenyl)-1'-methyl-3'-nitromethyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2013","69","2","o278","","10.1107/S1600536813001578","","","0.71073","MoKα","","0.0505","0.0471","","","0.128","0.1321","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237287","15.4029","0.0004","18.7822","0.0004","6.1639","0.0002","90","","90","","90","","1783.22","0.08","120","0.5","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>meso</i>-4,4'-Difluoro-2,2'-{[(3a<i>R</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a- octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol","","- C21 H24 F2 N2 O2 -","- C21 H24 F2 N2 O2 -","- C84 H96 F8 N8 O8 -","4","1","BX2435","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal","<i>meso</i>-4,4'-Difluoro-2,2'-{[(3a<i>R</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2013","69","2","o217","","10.1107/S1600536813000305","","","1.5418","CuKα","","0.0328","0.0302","","","0.0753","0.0773","","","","","","1.42","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237309","14.2945","0.0004","8.0115","0.0003","19.0962","0.0005","90","","90","","90","","2186.9","0.12","200","1","200","1","","","","","","","","5","P n a 21","P 2c -2n","33","sulfamethazine 2-nitrobenzoic acid (1:1)","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒ 2-nitrobenzoic acid (1/1)","","- C19 H19 N5 O6 S -","- C19 H19 N5 O6 S -","- C76 H76 N20 O24 S4 -","4","1","GG2106","Smith, Graham; Wermuth, Urs D.","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒2-nitrobenzoic acid (1/1)","Acta Crystallographica Section E","2013","69","2","o234","","10.1107/S1600536813000779","","","0.71073","MoKα","","0.0439","0.04","","","0.0973","0.0994","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237537","8.274","0.003","13.745","0.004","17.113","0.005","90","","90","","90","","1946.2","1.1","93","","93","","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(2,5-Dimethylphenoxy)ethanol","","- C10 H14 O2 -","- C10 H14 O2 -","- C80 H112 O16 -","8","2","NK2198","Ukai, Miho; Okuno, Tsunehisa","2-(2,5-Dimethylphenoxy)ethanol","Acta Crystallographica Section E","2013","69","3","o456","","10.1107/S1600536813005187","","","0.71075","MoKα","","","0.0457","","","","0.1214","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237726","21.108","0.004","9.9335","0.0019","6.3879","0.0013","90","","90","","90","","1339.4","0.5","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[diaqua(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","","- C6 H22 N2 Ni O7 S -","- C6 H22 N2 Ni O7 S -","- C24 H88 N8 Ni4 O28 S4 -","4","1","WM2722","Schmidt, Guntram; Merzweiler, Kurt","<i>catena</i>-Poly[[[diaqua(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2013","69","4","m197","","10.1107/S1600536813006557","","","0.71073","MoKα","","0.0304","0.0233","","","0.0468","0.0518","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237741","7.909","0.002","27.239","0.008","5.9652","0.0017","90","","90","","90","","1285.1","0.6","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-(3-Methoxyphenyl)-3-phenyl-1,2-oxazole","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","ZJ2101","Balakrishnan, B.; Praveen, C.; Seshadri, P. R.; Perumal, P. T.","5-(3-Methoxyphenyl)-3-phenyl-1,2-oxazole","Acta Crystallographica Section E","2013","69","4","o597","","10.1107/S160053681300740X","","","0.71073","MoKα","","0.053","0.0383","","","0.0933","0.1025","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237819","42.9266","0.0017","5.9741","0.0003","5.068","0.0002","90","","90","","90","","1299.68","0.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2<i>E</i>)-1-(4-Chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C15 H10 Cl N O3 -","- C15 H10 Cl N O3 -","- C60 H40 Cl4 N4 O12 -","4","1","FJ2627","Yamuna, T. S.; Yathirajan, H. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-1-(4-Chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","5","o790","o791","10.1107/S1600536813010854","","","1.5418","CuKα","","0.0495","0.0484","","","0.099","0.0996","","","","","","1.141","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237820","12.6455","0.0016","12.7423","0.0016","8.9306","0.0009","90","","90","","90","","1439","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-methoxybenzylidene]pyridine-4-carbohydrazide monohydrate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","FJ2628","Prasanna, M. K.; Sithambaresan, M.; Pradeepkumar, K.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-methoxybenzylidene]pyridine-4-carbohydrazide monohydrate","Acta Crystallographica Section E","2013","69","6","o881","","10.1107/S160053681301235X","","","0.71073","MoKα","","0.0764","0.0454","","","0.1077","0.1238","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237876","28.81","0.0015","6.6052","0.0004","25.7717","0.0014","90","","90","","90","","4904.2","0.5","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(Adamantan-1-yl)-4-methyl-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C25 H32 F3 N5 S -","- C25 H32 F3 N5 S -","- C200 H256 F24 N40 S8 -","8","2","HG5307","El-Emam, Ali A.; Al-Tamimi, Abdul-Malek S.; Alrashood, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-methyl-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","Acta Crystallographica Section E","2013","69","5","o695","o696","10.1107/S1600536813009495","","","0.71073","MoKα","","0.0839","0.0577","","","0.1321","0.1513","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237903","12.2879","0.0012","9.6422","0.0011","10.3642","0.0012","90","","90","","90","","1228","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-[(2-Chloroquinolin-3-yl)(hydroxy)methyl]acrylonitrile","","- C13 H9 Cl N2 O -","- C13 H9 Cl N2 O -","- C52 H36 Cl4 N8 O4 -","4","1","IS5260","Anuradha, T.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.","2-[(2-Chloroquinolin-3-yl)(hydroxy)methyl]acrylonitrile","Acta Crystallographica Section E","2013","69","5","o779","","10.1107/S1600536813010155","","","0.71073","MoKα","","0.039","0.0335","","","0.0862","0.09","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237950","7.8205","0.0002","13.356","0.0003","8.5621","0.0002","90","","90","","90","","894.32","0.04","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Allyl-2-aminopyridin-1-ium bromide","","- C8 H11 Br N2 -","- C8 H11 Br N2 -","- C32 H44 Br4 N8 -","4","1","LH5611","Seethalakshmi, T.; Venkatesan, P.; Nallu, M.; Lynch, Daniel E.; Thamotharan, S.","1-Allyl-2-aminopyridin-1-ium bromide","Acta Crystallographica Section E","2013","69","6","o884","","10.1107/S1600536813012452","","","0.71073","MoKα","","0.0241","0.0228","","","0.0521","0.0529","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238013","18.6882","0.0011","10.742","0.0006","6.3186","0.0004","90","","90","","90","","1268.45","0.13","100","","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","(<i>E</i>)-4-Ethoxy-4'-hydroxy-aza-stilbene","4-[(<i>E</i>)-(4-Ethoxybenzylidene)amino]phenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","RZ5061","Kaewmanee, Narissara; Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun","4-[(<i>E</i>)-(4-Ethoxybenzylidene)amino]phenol","Acta Crystallographica Section E","2013","69","6","o903","o904","10.1107/S1600536813012580","","","0.71073","MoKα","","0.0312","0.0301","","","0.0831","0.0859","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238057","13.0721","0.0012","17.3426","0.0016","6.2154","0.0006","90","","90","","90","","1409.1","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Phenylethanaminium 4-hydroxybenzoate","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","TK5220","Sudhahar, S.; Krishnakumar, M.; Sornamurthy, B. M.; Chakkaravarthi, G.; Mohankumar, R.","2-Phenylethanaminium 4-hydroxybenzoate","Acta Crystallographica Section E","2013","69","5","o792","","10.1107/S1600536813010787","","","0.71073","MoKα","","0.0705","0.0384","","","0.0895","0.106","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238168","20.5074","0.0007","15.4134","0.0005","9.8568","0.0003","90","","90","","90","","3115.62","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethylguanidinium tetraphenylborate","","- C35 H47 B N4 -","- C35 H47 B N4 -","- C140 H188 B4 N16 -","4","1","GO2091","Tiritiris, Ioannis","<i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethylguanidinium tetraphenylborate","Acta Crystallographica Section E","2013","69","7","o1040","","10.1107/S1600536813014906","","","0.71073","MoKα","","0.0826","0.0574","","","0.1264","0.1368","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238174","17.826","0.007","13.358","0.005","7.12","0.003","90","","90","","90","","1695.4","1.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2,2'-(Disulfanediyl)dianilinium dichloride dihydrate","","- C12 H18 Cl2 N2 O2 S2 -","- C12 H18 Cl2 N2 O2 S2 -","- C48 H72 Cl8 N8 O8 S8 -","4","1","HB7089","Bouchareb, Hasna; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocin","2,2'-(Disulfanediyl)dianilinium dichloride dihydrate","Acta Crystallographica Section E","2013","69","7","o1078","o1079","10.1107/S1600536813015742","","","0.71073","MoKα","","0.1109","0.063","","","0.1183","0.1336","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238210","10.0608","0.0002","17.9092","0.0005","10.8495","0.0003","90","","90","","90","","1954.87","0.09","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide","","- C23 H22 N2 O S -","- C23 H22 N2 O S -","- C92 H88 N8 O4 S4 -","4","1","LH5616","Yusof, Mohd Sukeri Mohd; Razali, Nur Rafikah; Arshad, Suhana; Rahman, Azhar Abdul; Razak, Ibrahim Abdul","<i>N</i>-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide","Acta Crystallographica Section E","2013","69","7","o1016","o1017","10.1107/S1600536813014268","","","0.71073","MoKα","","0.0957","0.0568","","","0.0863","0.0979","","","","","","0.989","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238263","22.0243","0.0005","16.1559","0.0004","4.8055","0.0001","90","","90","","90","","1709.9","0.07","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ethyl 2-[(2-hydroxybenzylidene)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxylate","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","SU2610","Çolak, Naki; Köse, Dursun Ali; Marım, Nazmiye; Çelik, Ömer; Hökelek, Tuncer","Ethyl 2-[(2-hydroxybenzylidene)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxylate","Acta Crystallographica Section E","2013","69","7","o1116","o1117","10.1107/S1600536813016474","","","0.71073","MoKα","","0.0671","0.0431","","","0.0927","0.1042","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238287","19.728","0.0006","7.4755","0.0003","24.4847","0.0007","90","","90","","90","","3610.9","0.2","292","2","292","2","","","","","","","","7","P n a 21","P 2c -2n","33","","{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone","","- C21 H13 Cl F N O2 S -","- C21 H13 Cl F N O2 S -","- C168 H104 Cl8 F8 N8 O16 S8 -","8","2","XU5707","Venugopala, K. N.; Nayak, Susanta K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone","Acta Crystallographica Section E","2013","69","7","o1007","o1008","10.1107/S1600536813014621","","","0.7107","MoKα","","0.1125","0.0531","","","0.0942","0.1181","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238313","18.4489","0.0015","16.9049","0.0013","3.8564","0.0003","90","","90","","90","","1202.72","0.16","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-Dibromo-1,3-dihydroxy-9<i>H</i>-xanthen-9-one","","- C13 H6 Br2 O4 -","- C13 H6 Br2 O4 -","- C52 H24 Br8 O16 -","4","1","BH2480","Huang, Shi-Wen; Yang, Zheng-Min; Huang, Fu-Ping; Qin, Jiang-Ke","2,4-Dibromo-1,3-dihydroxy-9<i>H</i>-xanthen-9-one","Acta Crystallographica Section E","2013","69","8","o1361","","10.1107/S1600536813019296","","","0.71073","MoKα","","0.0435","0.0344","","","0.0675","0.0696","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238383","7.2817","0.0015","6.9635","0.0014","15.186","0.003","90","","90","","90","","770","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Triaqua(pyrazole-4-carboxylato-κ<i>N</i>^1^)lithium","","- C4 H9 Li N2 O5 -","- C4 H9 Li N2 O5 -","- C16 H36 Li4 N8 O20 -","4","1","KP2455","Starosta, Wojciech; Leciejewicz, Janusz","Triaqua(pyrazole-4-carboxylato-κ<i>N</i>^1^)lithium","Acta Crystallographica Section E","2013","69","8","m438","","10.1107/S160053681301831X","","","0.71073","MoKα","","0.0615","0.0424","","","0.1088","0.119","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238458","7.677","0.004","12.003","0.01","13.885","0.01","90","","90","","90","","1279.5","1.6","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(Benzyloxy)isoquinoline-1,3(2<i>H</i>,4<i>H</i>)-dione","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","ZL2556","Ishikawa, Yoshinobu; Matsuo, Soichiro","2-(Benzyloxy)isoquinoline-1,3(2<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","8","o1311","","10.1107/S1600536813019934","","","0.71069","MoKα","","","0.0686","","","","0.2119","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238460","20.1034","0.0012","17.799","0.001","6.1366","0.0003","90","","90","","90","","2195.8","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-<i>tert</i>-Butyl-3-phenyl-2,3-dihydroisoxazole-4,5-diyl)bis(phenylmethanone)","","- C27 H25 N O3 -","- C27 H25 N O3 -","- C108 H100 N4 O12 -","4","1","ZL2560","Sandhya, R.; Sithambaresan, M.; Prathapan, S.; Kurup, M. R. Prathapachandra","(2-<i>tert</i>-Butyl-3-phenyl-2,3-dihydroisoxazole-4,5-diyl)bis(phenylmethanone)","Acta Crystallographica Section E","2013","69","8","o1284","o1285","10.1107/S1600536813019508","","","0.71073","MoKα","","0.0512","0.0378","","","0.0858","0.0941","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238466","24.9465","0.0015","4.3709","0.0003","21.8091","0.0013","90","","90","","90","","2378","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]thiophene-2-carbohydrazide","","- C12 H9 Cl N2 O S -","- C12 H9 Cl N2 O S -","- C96 H72 Cl8 N16 O8 S8 -","8","2","BH2481","Warad, Ismail; Haddad, Salim F.; Al-Noaimi, Mousa; Hammouti, Belkheir; Ben Hadda, Taibi","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2013","69","9","o1442","","10.1107/S1600536813020850","","","0.71073","MoKα","","0.0516","0.0438","","","0.1078","0.1127","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238758","12.1431","0.0011","12.6551","0.0012","5.3907","0.0005","90","","90","","90","","828.4","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-1,2,4,5-tetrazin-3(2<i>H</i>)-one","","- C7 H8 N6 O -","- C7 H8 N6 O -","- C28 H32 N24 O4 -","4","1","KQ2010","Suponitsky, Kyrill Yu.; Chernyshev, Victor M.; Mazharova, Anna G.; Palysaeva, Nadezhda V.; Sheremetev, Aleksei B.","6-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-1,2,4,5-tetrazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","11","o1630","o1631","10.1107/S1600536813027360","","","0.71073","MoKα","","0.0436","0.0371","","","0.0896","0.0938","","","","","","1.053","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238775","11.041","0.005","5.76","0.004","30.069","0.013","90","","90","","90","","1912.3","1.8","298","2","298","1","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>'-Bis(2-aminobenzyl)ethane-1,2-diaminium dinitrate","","- C16 H24 N6 O6 -","- C16 H24 N6 O6 -","- C64 H96 N24 O24 -","4","1","RK2415","Garza Rodríguez, Luis Ángel; Elizondo Martínez, Perla; Bernès, Sylvain; Nájera Martínez, Blanca; Pérez Rodríguez, Nancy","<i>N</i>,<i>N</i>'-Bis(2-aminobenzyl)ethane-1,2-diaminium dinitrate","Acta Crystallographica Section E","2013","69","11","o1643","o1644","10.1107/S1600536813027475","","","0.71073","MoKα","","0.1042","0.0612","","","0.1443","0.1799","","","","","","1.612","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238810","17.3634","0.0013","11.4669","0.0009","6.0818","0.0004","90","","90","","90","","1210.91","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1<i>H</i>-Benzotriazole‒4-hydroxybenzoic acid (1/1)","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","VM2200","Thirunavukkarasu, A.; Silambarasan, A.; Chakkaravarthi, G.; Mohankumar, R.; Umarani, P. R.","1<i>H</i>-Benzotriazole‒4-hydroxybenzoic acid (1/1)","Acta Crystallographica Section E","2013","69","11","o1605","","10.1107/S1600536813026767","","","0.71073","MoKα","","0.0374","0.0307","","","0.07","0.074","","","","","","1.042","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238887","16.2367","0.0007","7.1047","0.0002","11.4018","0.0003","90","","90","","90","","1315.28","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Formyl-2-nitrophenyl 2-chlorobenzoate","","- C14 H8 Cl N O5 -","- C14 H8 Cl N O5 -","- C56 H32 Cl4 N4 O20 -","4","1","LH5661","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Ellena, Javier; De Simone, Carlos A.; Tenorio, Juan C.","4-Formyl-2-nitrophenyl 2-chlorobenzoate","Acta Crystallographica Section E","2013","69","12","o1806","","10.1107/S1600536813031346","","","0.71073","MoKα","","0.0722","0.0439","","","0.1043","0.1197","","","","","","1.031","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238930","15.7317","0.0007","7.2634","0.0012","28.8121","0.0003","90","","90","","90","","3292.2","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Acetyl-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one‒tris(hydroxymethyl)ammonium chloride (2/1)","","- C29 H38 Cl N5 O9 -","- C29 H38 Cl N5 O9 -","- C116 H152 Cl4 N20 O36 -","4","1","SU2662","Huq, C. A. M. A.; Fouzia, S.; NizamMohideen, M.","5-Acetyl-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one‒tris(hydroxymethyl)ammonium chloride (2/1)","Acta Crystallographica Section E","2013","69","12","o1766","o1767","10.1107/S1600536813030559","","","0.71073","MoKα","","0.0636","0.0467","","","0.1399","0.1573","","","","","","0.883","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238956","12.4854","0.0006","11.3906","0.0005","28.365","0.002","90","","90","","90","","4034","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[<i>meso</i>-5,10,15,20-Tetrakis(3-methylthiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) benzene hemisolvate","","- C43 H31 N4 Ni S4 -","- C43 H31 N4 Ni S4 -","- C172 H124 N16 Ni4 S16 -","4","1","ZS2280","Prasath, R.; Bhavana, P.; Gupta, Sushil K.; Butcher, Ray J.","[<i>meso</i>-5,10,15,20-Tetrakis(3-methylthiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) benzene hemisolvate","Acta Crystallographica Section E","2013","69","12","m652","m653","10.1107/S1600536813030468","","","0.71069","MoKα","","0.1664","0.0766","","","0.1842","0.24","","","","","","0.985","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238987","16.0965","0.0014","4.8453","0.0004","9.5538","0.0009","90","","90","","90","","745.12","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-Fluoro-4-[(<i>E</i>)-2-nitrovinyl]benzene","","- C8 H6 F N O2 -","- C8 H6 F N O2 -","- C32 H24 F4 N4 O8 -","4","1","HB7182","Sreenivasa, S.; Nanjundaswamy, M. S.; Manojkumar, K. E.; Madankumar, S.; Lokanath, N. K.; Suchetan, P. A.","1-Fluoro-4-[(<i>E</i>)-2-nitrovinyl]benzene","Acta Crystallographica Section E","2014","70","2","o124","","10.1107/S1600536814000348","","","1.54178","CuKα","","0.0869","0.0781","","","0.192","0.2032","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239089","23.6403","0.0006","7.5682","0.0002","8.0329","0.0003","90","","90","","90","","1437.2","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichlorido{8-[2-(dimethylamino)ethylamino]quinoline-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc","","- C13 H17 Cl2 N3 Zn -","- C13 H17 Cl2 N3 Zn -","- C52 H68 Cl8 N12 Zn4 -","4","1","","Al-Sudani, Abdul-Razak H.","Dichlorido{8-[2-(dimethylamino)ethylamino]quinoline-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc","Acta Crystallographica Section E","2014","70","1","m1","","10.1107/S1600536813029929","","","0.71073","MoKα","","0.0357","0.0301","","","0.0635","0.0661","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239142","19.8109","0.0015","5.9314","0.0004","6.092","0.0004","90","","90","","90","","715.85","0.09","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[triaquamagnesium]-μ~2~-malonato]","","- C3 H8 Mg O7 -","- C3 H8 Mg O7 -","- C12 H32 Mg4 O28 -","4","1","KJ2236","de Klijn, Tim; Lutz, Martin","<i>catena</i>-Poly[[triaquamagnesium]-μ~2~-malonato]","Acta Crystallographica Section E","2014","70","1","m25","m26","10.1107/S1600536813034193","","","0.71073","MoKα","","0.025","0.0234","","","0.0598","0.0608","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239193","10.948","0.0003","11.8207","0.0003","10.5027","0.0004","90","","90","","90","","1359.19","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","Tetrachlorocarbene γ-terpinene","(1<i>S</i>*,3<i>R</i>*,5<i>S</i>*,7<i>S</i>*)-4,4,8,8-Tetrachloro-1-isopropyl-5-methyltricyclo[5.1.0.0^3,5^]octane","","- C12 H16 Cl4 -","- C12 H16 Cl4 -","- C48 H64 Cl16 -","4","1","LD2121","Turdybekov, Koblandy M.; Ryazantsev, Oleg G.; Atazhanova, Gayane A.; Adekenov, Sergazy M.","(1<i>S</i>*,3<i>R</i>*,5<i>S</i>*,7<i>S</i>*)-4,4,8,8-Tetrachloro-1-isopropyl-5-methyltricyclo[5.1.0.0^3,5^]octane","Acta Crystallographica Section E","2014","70","4","o417","","10.1107/S1600536814004826","","","0.71073","MoKα","","0.0254","0.023","","","0.0524","0.0535","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239198","9.2879","0.0002","39.273","0.0011","10.5592","0.0003","90","","90","","90","","3851.61","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","1,3,5-Tris(phthalimidomethyl)-2,4,6-tris(bromomethyl)benzene toluene monosolvate","2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate","","- C43 H32 Br3 N3 O6 -","- C43 H32 Br3 N3 O6 -","- C172 H128 Br12 N12 O24 -","4","1","","Koch, Niklas; Seichter, Wilhelm; Mazik, Monika","2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate","Acta Crystallographica Section E","2014","70","4","o393","o394","10.1107/S1600536814004383","","","0.71073","MoKα","","0.0296","0.0258","","","0.0565","0.0574","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239227","18.2293","0.0007","6.1955","0.0003","15.9471","0.0008","90","","90","","90","","1801.06","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Cyclopentyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C84 H88 O12 S4 -","4","1","LD2123","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o481","","10.1107/S1600536814006187","","","0.71073","MoKα","","0.0517","0.0446","","","0.108","0.1131","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239322","12.7717","0.0006","16.2765","0.0007","11.4109","0.0009","90","","90","","90","","2372.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-one <i>O</i>-nicotinoyl oxime","","- C27 H29 N3 O2 -","- C27 H29 N3 O2 -","- C108 H116 N12 O8 -","4","1","SU2680","Vinuchakkaravarthy, T.; Sivakumar, R.; Srinivasan, T.; Thanikachalam, V.; Velmurugan, D.","(<i>E</i>)-3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-one <i>O</i>-nicotinoyl oxime","Acta Crystallographica Section E","2014","70","5","o551","","10.1107/S1600536814007363","","","0.71073","MoKα","","0.1014","0.0471","","","0.1061","0.1324","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239456","9.5934","0.0003","11.1939","0.0004","10.3332","0.0003","90","","90","","90","","1109.66","0.06","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Datta, Riya; Ramya, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2014","70","3","o242","","10.1107/S1600536814001822","","","0.71073","MoKα","","0.025","0.0242","","","0.0634","0.0641","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239462","15.061","0.003","21.992","0.004","5.437","0.001","90","","90","","90","","1800.9","0.6","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","LH5693","Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong","<i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline","Acta Crystallographica Section E","2014","70","3","o332","","10.1107/S1600536814003614","","","0.7749","synchrotron","","0.0521","0.0447","","","0.1126","0.1179","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239463","34.5438","0.0015","6.0102","0.0002","15.6138","0.0007","90","","90","","90","","3241.7","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-[(1-Benzyl-1,2,3-triazol-5-yl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H16 N4 O S -","- C18 H16 N4 O S -","- C144 H128 N32 O8 S8 -","8","2","RZ5106","Sebbar, Nada Kheira; El Fal, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(1-Benzyl-1,2,3-triazol-5-yl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","3","o363","o364","10.1107/S1600536814003900","","","0.71073","MoKα","","0.0952","0.0621","","","0.1455","0.1668","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239470","7.4665","0.0002","17.7858","0.0005","6.6821","0.0002","90","","90","","90","","887.37","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(μ~3~-3,5-dinitrobenzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~2~-hydroxido-κ^2^<i>O</i>:<i>O</i>)copper(II)]","","- C7 H4 Cu N2 O7 -","- C7 H4 Cu N2 O7 -","- C28 H16 Cu4 N8 O28 -","4","1","","Sinha, B.; Dey, G. C.; Sarkar, B.; Roy, A.; Ng, Seik Weng; Tiekink, Edward R. T.","Poly[(μ~3~-3,5-dinitrobenzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~2~-hydroxido-κ^2^<i>O</i>:<i>O</i>)copper(II)]","Acta Crystallographica Section E","2014","70","3","m112","m113","10.1107/S1600536814004280","","","1.54184","CuKα","","0.0271","0.027","","","0.0765","0.0765","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239671","7.8869","0.0002","11.0042","0.0002","17.5181","0.0004","90","","90","","90","","1520.38","0.06","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O2 S -","- C72 H68 F4 O8 S4 -","4","1","CV5468","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","7","o830","","10.1107/S1600536814014822","","","0.71073","MoKα","","0.0436","0.0383","","","0.0912","0.0941","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239723","9.2647","0.0003","12.926","0.0004","22.0729","0.0007","90","","90","","90","","2643.35","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1-Diacetylferrocene dihydrazone","","- C14 H18 Fe N4 -","- C14 H18 Fe N4 -","- C112 H144 Fe8 N32 -","8","2","RK2429","Shikhaliyev, Namig G.; Gurbanov, Atash V.; Muzalevsky, Vasily M.; Nenajdenko, Valentine G.; Khrustalev, Victor N.","1,1-Diacetylferrocene dihydrazone","Acta Crystallographica Section E","2014","70","8","m286","m287","10.1107/S1600536814014366","","","0.71073","MoKα","","0.0346","0.0309","","","0.0773","0.0801","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239744","18.945","0.002","7.0277","0.0008","5.4402","0.0006","90","","90","","90","","724.31","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ammonium divanadium(IV,V) tellurium(IV) heptaoxide","","- H4 N O7 Te V2 -","- N O7 Te V2 -","- N4 O28 Te4 V8 -","4","1","WM0003","Harrison, William T. A.; Johnston, Magnus G.","Crystal structure of ammonium divanadium(IV,V) tellurium(IV) heptaoxide","Acta Crystallographica Section E","2014","70","7","27","30","10.1107/S1600536814011015","","","0.71073","MoKα","","0.0742","0.0397","","","0.0743","0.0823","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239760","12.7332","0.0014","14.2777","0.0014","19.003","0.002","90","","90","","90","","3454.8","0.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(2-Nitrobenzyl)-3-phenyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazin-2-ol","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C168 H144 N16 O32 -","8","2","BQ2396","Chouguiat, Louisa; Boulcina, Raouf; Bouacida, Sofiane; Merazig, Hocine; Debache, Abdelmadjid","4-(2-Nitrobenzyl)-3-phenyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazin-2-ol","Acta Crystallographica Section E","2014","70","8","o863","o864","10.1107/S1600536814015645","","","0.71073","MoKα","","0.0512","0.0425","","","0.1083","0.1139","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239774","8.9962","0.0002","16.1159","0.0002","8.5491","0.0001","90","","90","","90","","1239.46","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone","4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone","","- C11 H15 N3 O2 S -","- C11 H15 N3 O2 S -","- C44 H60 N12 O8 S4 -","4","1","","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Feitosa, Bárbara Regina Santos","4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone","Acta Crystallographica Section E","2014","70","8","o868","","10.1107/S1600536814016018","","","0.71073","MoKα","","0.0367","0.0304","","","0.0676","0.071","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239841","7.4385","0.0008","14.3429","0.0016","9.2255","0.001","90","","90","","90","","984.27","0.19","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Phenyl(pyridin-2-yl)methanol","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","SU2760","Kim, Haneol; Kang, Sung Kwon","Crystal structure of phenyl(pyridin-2-yl)methanol","Acta Crystallographica Section E","2014","70","9","o947","","10.1107/S1600536814016857","","","0.71073","MoKα","","0.0861","0.0388","","","","0.084","","","","","","0.808","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240025","16.374","0.002","6.8898","0.001","15.208","0.002","90","","90","","90","","1715.7","0.4","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>trans</i>-Acetyldicarbonyl-(<i>η</i>^5^-cyclopentadienyl)-\\ (dimethylphenylphosphine)-molybdenum(II)","","- C17 H19 Mo O3 P -","- C17 H19 Mo O3 P -","- C68 H76 Mo4 O12 P4 -","4","1","","Whited, Matthew T.; Hofmeister, Gretchen E.; Hodges, Connor J.; Jensen, Laramie T.; Keyes, Samuel H.; Ngamnithiporn, Aurapat; Janzen, Daron E.","Crystal structures of <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(dimethylphenylphosphane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(ethyldiphenylphosphane)molybdenum(II)","Acta Crystallographica Section E","2014","70","10","216","220","10.1107/S1600536814020534","","","0.71075","MoKα","","0.025","0.0214","","","0.0435","0.0447","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240079","7.686","0.016","28.346","0.007","6.297","0.012","90","","90","","90","","1372","4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(2<i>E</i>)-1-(4-Hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Jovita, J.; Usha, G.","Crystal structure of (2<i>E</i>)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","11","o1158","o1159","10.1107/S1600536814021953","","","0.71073","MoKα","","0.1206","0.0768","","","0.2133","0.2441","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240132","12.9597","0.0004","8.8616","0.0002","28.5426","0.0007","90","","90","","90","","3277.94","0.15","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","{2,2'-[Ethylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxidovanadium(IV) methanol monosolvate","","- C17 H18 N2 O4 V -","- C17 H18 N2 O4 V -","- C136 H144 N16 O32 V8 -","8","2","GG2143","Hsuan, Rachel E.; Hughes, Jemma E.; Miller, Thomas H.; Shaikh, Nabila; Cunningham, Phoebe H. M.; O'Connor, Alice E.; Tidey, Jeremiah P.; Blake, Alexander J.","Crystal structure of {2,2'-[ethylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxidovanadium(IV) methanol monosolvate","Acta Crystallographica Section E","2014","70","11","m380","m381","10.1107/S1600536814023332","","","1.54184","CuKα","","0.0401","0.0368","","","0.1","0.105","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240141","24.2206","0.0008","8.2838","0.0002","8.3206","0.0004","90","","90","","90","","1669.43","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{[2-(3-Phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride","","- C16 H16 Cl N3 S2 -","- C16 H16 Cl N3 S2 -","- C64 H64 Cl4 N12 S8 -","4","1","HB7295","Low, May Lee; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","Crystal structure of 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride","Acta Crystallographica Section E","2014","70","11","o1207","o1208","10.1107/S1600536814023228","","","1.5418","CuKα","","0.0344","0.0305","","","0.0758","0.0775","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240144","12.123","0.0011","15.0901","0.0014","4.8763","0.0004","90","","90","","90","","892.06","0.14","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-(5-Bromo-2-hydroxyphenyl)acrylaldehyde","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","GW2149","Kim, Sung-Gon","Crystal structure of (<i>E</i>)-3-(5-bromo-2-hydroxyphenyl)acrylaldehyde","Acta Crystallographica Section E","2014","70","11","o1219","o1220","10.1107/S1600536814023708","","","0.71073","MoKα","","0.0424","0.0279","","","0.0553","0.0859","","","","","","1.164","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240299","7.281","0.005","15.148","0.011","10.903","0.008","90","","90","","90","","1202.5","1.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(<i>N</i>,<i>N</i>-dimethylacetamide-κ<i>O</i>)(μ~4~-5-methylisophthalato-κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')manganese(II)]","","- C12 H13 Mn N O5 -","- C12 H13 Mn N O5 -","- C48 H52 Mn4 N4 O20 -","4","1","","Jin, Lan; Zha, Li-Li; Gao, San; Yang, Shi-Yao; Huang, Rong-Bin","Crystal structure of poly[(<i>N</i>,<i>N</i>-dimethylacetamide-κ<i>O</i>)(μ~4~-5-methylisophthalato-κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')manganese(II)]","Acta Crystallographica Section E","2015","71","1","m1","m2","10.1107/S2056989014025626","","","0.71073","MoKα","","0.0252","0.024","","","0.0589","0.0593","","","","","","1.071","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240350","14.465","0.003","18.742","0.004","4.323","0.0009","90","","90","","90","","1172","0.4","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2,6-Bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]pyridine","","- C11 H11 N7 -","- C11 H11 N7 -","- C44 H44 N28 -","4","1","","Guino-o, Marites A.; Folstad, Matthew J.; Janzen, Daron E.","Crystal structures of 2,6-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]pyridine and 1,1-[pyridine-2,6-diylbis(methylene)]bis(4-methyl-1<i>H</i>-1,2,4-triazol-4-ium) iodide triiodide","Acta Crystallographica Section E","2015","71","2","128","132","10.1107/S2056989014027881","","","0.71075","MoKα","","0.062","0.0467","","","0.0951","0.1005","","","","","","1.046","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240452","20.1594","0.0011","17.8088","0.0012","5.612","0.0003","90","","90","","90","","2014.8","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","4-Chloro-2-({3-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methyl]imidazolidin-1-yl}methyl)-3,5-dimethylphenol","4,4'-Dichloro-3,3',5,5'-tetramethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C21 H26 Cl2 N2 O2 -","- C21 H26 Cl2 N2 O2 -","- C84 H104 Cl8 N8 O8 -","4","1","","Rivera, Augusto; Nerio, Luz Stella; Bolte, Michael","Crystal structure of the di-Mannich base 4,4'-dichloro-3,3',5,5'-tetramethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2015","71","3","312","314","10.1107/S2056989015002212","","","0.71073","MoKα","","0.0407","0.0348","","","0.0793","0.0819","","","","","","0.996","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240521","35.623","0.002","3.8172","0.0002","18.6525","0.0008","90","","90","","90","","2536.4","0.2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-{[(6-Methoxy-1,3-benzothiazol-2-yl)imino]methyl}phenol","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C120 H96 N16 O16 S8 -","8","2","HG5435","Hijji, Yousef; Barare, Belygona; Wairia, Gilbert; Butcher, Ray J.; Wikaira, Jan","Crystal structure of (<i>E</i>)-2-{[(6-methoxy-1,3-benzothiazol-2-yl)imino]methyl}phenol","Acta Crystallographica Section E","2015","71","4","385","387","10.1107/S2056989015005228","","","1.54178","CuKα","","0.0762","0.0726","","","0.1854","0.1885","","","","","","1.093","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240543","9.6376","0.0002","10.1602","0.0002","8.9254","0.0002","90","","90","","90","","873.97","0.03","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(1-Methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","2-(1-Methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","","- C9 H10 N2 S -","- C9 H10 N2 S -","- C36 H40 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2-(1-methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2015","71","5","o272","o273","10.1107/S2056989015006039","","","1.54184","CuKα","","0.0215","0.0213","","","0.057","0.0571","","","","","","1.084","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240554","11.2629","0.0005","5.3552","0.0003","12.6538","0.0006","90","","90","","90","","763.21","0.07","296","","296","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","IS5394","Ishii, Tomohiko; Sakane, Genta; Yoshihara, Akihide; Fukada, Kazuhiro; Senoo, Tatsuya","Crystal structure of β-<small>D</small>,<small>L</small>-psicose","Acta Crystallographica Section E","2015","71","5","o289","o290","10.1107/S2056989015006623","","","1.54187","CuKα","","0.0511","0.0475","","","0.1007","0.1017","","","","","","1.04","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240628","29.122","0.003","8.4029","0.001","11.358","0.002","90","","90","","90","","2779.4","0.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-poly[[[bis(1,4-diazoniabicyclo[2.2.2]octane) [tetraachloridoantimonate(III)]-μ-chlorido-[tetrachloridoantimonate(III)]-μ-chlorido]] monohydrate]","","- C12 H30 Cl10 N4 O Sb2 -","- C12 H30 Cl10 N4 O Sb2 -","- C48 H120 Cl40 N16 O4 Sb8 -","4","1","","Ben Rhaiem, Tarek; Boughzala, Habib","Crystal structure of a new hybrid antimony‒halide-based compound for possible non-linear optical applications","Acta Crystallographica Section E","2015","71","5","498","501","10.1107/S2056989015007379","","","0.71073","MoKα","","0.0379","0.0256","","","0.0642","0.0701","","","","","","1.092","","","","has coordinates,has Fobs","171761","2020-10-21","18:00:00",""
"2240679","8.4873","0.0018","10.821","0.002","16.232","0.003","90","","90","","90","","1490.8","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-({[2-(1,3-Dioxan-2-yl)phenyl]imino}methyl)phenol","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Li, Zhengyi; Shi, Song; Zhou, Kun; Chen, Liang; Sun, Xiaoqiang","Crystal structure of (<i>E</i>)-2-({[2-(1,3-dioxan-2-yl)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2015","71","5","o357","o358","10.1107/S2056989015008051","","","0.71073","MoKα","","0.0525","0.039","","","0.0909","0.0973","","","","","","1","","","","has coordinates,has Fobs","136461","2020-10-21","18:00:00",""
"2240709","12.1468","0.0004","8.4194","0.0002","20.9636","0.0007","90","","90","","90","","2143.92","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-[2-(2,6-Dichlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","","- C24 H20 Cl2 N2 O -","- C24 H20 Cl2 N2 O -","- C96 H80 Cl8 N8 O4 -","4","1","SJ5450","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Marzouk, Adel A.; Albayati, Mustafa R.","Crystal structure of 1-[2-(2,6-dichlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","Acta Crystallographica Section E","2015","71","5","o299","o300","10.1107/S2056989015006763","","","1.54184","CuKα","","0.04","0.0371","","","0.095","0.0969","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","136865","2020-10-21","18:00:00",""
"2240875","29.3465","0.001","12.2113","0.0005","3.6206","0.0002","90","","90","","90","","1297.47","0.1","122","2","122","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Hydroxypyridin-1-ium 3,5dicarboxybenzoate","","- C14 H11 N O7 -","- C14 H11 N O7 -","- C56 H44 N4 O28 -","4","1","","Staun, Selena L.; Oliver, Allen G.","Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate","Acta Crystallographica Section E","2015","71","7","861","863","10.1107/S2056989015011780","","","1.54184","CuKα","","0.031","0.0278","","","0.0691","0.0708","","","","","","1.05","","","","has coordinates,has Fobs","139735","2020-10-21","18:00:00",""
"2241046","14.7716","0.0012","12.6403","0.0011","7.6734","0.0006","90","","90","","90","","1432.8","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4-Dinitrophenyl 4-methylbenzenesulfonate","","- C13 H10 N2 O7 S -","- C13 H10 N2 O7 S -","- C52 H40 N8 O28 S4 -","4","1","PK2562","Cooley, Tyler A.; Riley, Sean; Biros, Shannon M.; Staples, Richard J.; Ngassa, Felix N.","Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph","Acta Crystallographica Section E","2015","71","9","1085","1088","10.1107/S2056989015015650","","","0.71073","MoKα","","0.0404","0.0342","","","0.0826","0.0876","","","","","","1.05","","","","has coordinates,has Fobs","153696","2020-10-21","18:00:00",""
"2241051","26.002","0.004","8.5752","0.0015","9.3829","0.0016","90","","90","","90","","2092.1","0.6","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Dichlorido(4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane)iron(III) hexafluoridophosphate","","- C14 H30 Cl2 F6 Fe N4 P -","- C14 H30 Cl2 F6 Fe N4 P -","- C56 H120 Cl8 F24 Fe4 N16 P4 -","4","1","ZL2640","Funwie, Neil L.; Cain, Amy N.; Fanning, Brian Z.; Hageman, Serena A.; Mullens, Malorie; Roberts, Travis K.; Turner, Daniel J.; Valdez, Cammi N.; Vaughan, Robert W.; Ermias, Henok G.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.; Prior, Timothy J.","Crystal structure of dichlorido(4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane)iron(III) hexafluoridophosphate","Acta Crystallographica Section E","2015","71","9","1073","1076","10.1107/S2056989015015340","","","0.71073","MoKα","","0.0934","0.05","","","0.1011","0.1091","","","","","","0.835","","","","has coordinates,has Fobs","153701","2020-10-21","18:00:00",""
"2241145","16.1328","0.0014","6.8283","0.0006","23.017","0.002","90","","90","","90","","2535.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(4-Hydroxypiperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone","","- C13 H14 F3 N O2 -","- C13 H14 F3 N O2 -","- C104 H112 F24 N8 O16 -","8","2","","Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.","Crystal structure of (4-hydroxypiperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone","Acta Crystallographica Section E","2015","71","10","o790","o791","10.1107/S205698901501765X","","","0.71073","MoKα","","0.1137","0.0539","","","0.138","0.1902","","","","","","1.068","","","","has coordinates,has Fobs","158394","2020-10-21","18:00:00",""
"2241178","12.699","0.003","26.498","0.006","6.6591","0.0014","90","","90","","90","","2240.8","0.9","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Benzene-1,3,5-tricarboxylic acid‒4-pyridone (1/3)","","- C24 H21 N3 O9 -","- C24 H21 N3 O9 -","- C96 H84 N12 O36 -","4","1","ZL2644","Staun, Selena L.; Oliver, Allen G.","Crystal structure of benzene-1,3,5-tricarboxylic acid‒4-pyridone (1/3)","Acta Crystallographica Section E","2015","71","11","1283","1286","10.1107/S2056989015017867","","","0.71073","MoKα","","0.1003","0.0689","","","0.1534","0.1712","","","","","","1.043","","","","has coordinates,has Fobs","159560","2020-10-21","18:00:00",""
"2241192","8.3293","0.0002","12.2924","0.0003","19.3226","0.0004","90","","90","","90","","1978.38","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-[4(<i>E</i>)-2,6-Bis(4-chlorophenyl)-3-ethylpiperidin-4-ylidene]acetamide","","- C21 H22 Cl2 N2 O -","- C21 H22 Cl2 N2 O -","- C84 H88 Cl8 N8 O4 -","4","1","SU5218","Priya, K.; Saravanan, K.; Selvanayagam, S.; Kabilan, S.","Crystal structure of 2-[4(<i>E</i>)-2,6-bis(4-chlorophenyl)-3-ethylpiperidin-4-ylidene]acetamide","Acta Crystallographica Section E","2015","71","11","o832","o833","10.1107/S2056989015018666","","","0.71073","MoKα","","0.0369","0.0346","","","0.094","0.0968","","","","","","1.038","","","","has coordinates,has Fobs","164395","2020-10-21","18:00:00",""
"2241213","20.2188","0.0013","12.1199","0.0008","5.177","0.0003","90","","90","","90","","1268.62","0.14","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Fluorophenyl)-4-methoxybenzenesulfonamide","","- C13 H12 F N O3 S -","- C13 H12 F N O3 S -","- C52 H48 F4 N4 O12 S4 -","4","1","CV5497","Rodrigues, Vinola Z.; Preema, C. P.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of 4-methoxy-<i>N</i>-(4-methylphenyl)benzenesulfonamide and <i>N</i>-(4-fluorophenyl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2015","71","11","1388","1391","10.1107/S2056989015019787","","","1.54178","CuKα","","0.0343","0.0337","","","0.0996","0.1002","","","","","","1.094","","","","has coordinates,has Fobs","169808","2020-10-21","18:00:00",""
"2241236","8.436","0.002","18.682","0.005","8.427","0.003","90","","90","","90","","1328.1","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H24 N2 O3 -","- C12 H24 N2 O3 -","- C48 H96 N8 O12 -","4","1","","Rojek, Tomasz; Matczak-Jon, Ewa","Crystal structure of dicyclohexylammonium nitrate(V)","Acta Crystallographica Section E","2015","71","11","o878","o879","10.1107/S2056989015019386","","","0.71073","MoKα","","0.0381","0.0368","","","0.0925","0.0938","","","","","","1.066","","","","has coordinates","169831","2020-10-21","18:00:00",""
"2241307","18.8585","0.0009","4.7884","0.0002","14.4285","0.0006","90","","90","","90","","1302.92","0.1","233","2","233","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(1-Methyl-1<i>H</i>-imidazol-2-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole dihydrate","","- C12 H15 N5 O2 -","- C12 H15 N5 O2 -","- C48 H60 N20 O8 -","4","1","HB7534","Haslinger, Simone; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","Crystal structure of 1-(1-methyl-1<i>H</i>-imidazol-2-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole dihydrate","Acta Crystallographica Section E","2015","71","12","o945","o946","10.1107/S2056989015020721","","","0.71073","MoKα","","0.0612","0.0446","","","0.083","0.0877","","","","","","1.084","","","","has coordinates,has Fobs","170319","2020-10-21","18:00:00",""
"2241429","26.458","0.0011","8.9281","0.0004","8.579","0.0004","90","","90","","90","","2026.53","0.16","193","2","193.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","Dichlorido(tetrahydrofuran-κ<i>O</i>)(tri-<i>tert</i>-butylphosphane-κ<i>P</i>)zinc","","- C16 H35 Cl2 O P Zn -","- C16 H35 Cl2 O P Zn -","- C64 H140 Cl8 O4 P4 Zn4 -","4","1","","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","","0.032","0.0305","","","0.0743","0.0749","","","","","","1.137","","","","has coordinates,has Fobs","176638","2020-10-21","18:00:00",""
"2241445","13.8369","0.0009","12.2202","0.0008","6.8468","0.0004","90","","90","","90","","1157.72","0.13","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","7,8,9,10-Tetrahydrobenzo[<i>b</i>]naphtho[2,1-<i>d</i>]furan","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","SU5264","Wu, Zhongyuan; Reetz, Manfred T.; Harms, Klaus","Crystal structure of 7,8,9,10-tetrahydrobenzo[<i>b</i>]naphtho[2,1-<i>d</i>]furan","Acta Crystallographica Section E","2016","72","1","106","108","10.1107/S2056989015024512","","","0.71073","MoKα","","0.0467","0.0375","","","0.0778","0.0809","","","","","","1.089","","","","has coordinates,has Fobs","176642","2020-10-21","18:00:00",""
"2241455","18.1637","0.0003","10.3463","0.0002","14.5322","0.0003","90","","90","","90","","2730.99","0.09","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>fac</i>-Tricarbonyl(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)(triphenylarsane-κ<i>As</i>)rhenium(I)","","- C31 H21 As N O5 Re -","- C31 H21 As N O5 Re -","- C124 H84 As4 N4 O20 Re4 -","4","1","","Triantis, Charalampos; Shegani, Antonio; Kiritsis, Christos; Raptopoulou, Catherine P.; Psycharis, Vassilis; Pelecanou, Maria; Pirmettis, Ioannis; Papadopoulos, Minas","Crystal structure of <i>fac</i>-tricarbonyl(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)(triphenylarsane-κ<i>As</i>)rhenium(I)","Acta Crystallographica Section E","2016","72","2","114","116","10.1107/S2056989015024640","","","1.54178","CuKα","","0.0332","0.0325","","","0.0758","0.0762","","","","","","1.054","","","","has coordinates,has Fobs","174439","2020-10-21","18:00:00",""
"2241467","12.7949","0.001","10.5639","0.0009","9.6676","0.0006","90","","90","","90","","1306.71","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","<i>N</i>^6^-benzoyladeninium nitrate","<i>N</i>^6^-benzoyladeninium nitrate","","- C12 H10 N6 O4 -","- C12 H10 N6 O4 -","- C48 H40 N24 O16 -","4","1","SJ5489","Karthikeyan, Ammasai; Jeeva Jasmine, Nithianantham; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in the N(9)—H protonated and N(7)—H tautomeric form of an <i>N^6^</i>-benzoyladenine salt: <i>N</i>^6^-benzoyladeninium nitrate","Acta Crystallographica Section E","2016","72","2","140","143","10.1107/S2056989015024871","","","0.71073","MoKα","","0.0531","0.0399","","","0.0863","0.0969","","","","","","1.098","","","","has coordinates,has Fobs","174449","2020-10-21","18:00:00",""
"2241487","12.02","0.009","7.576","0.006","18.521","0.014","90","","90","","90","","1687","2","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(Thiophen-3-yl)ethyl pyrene-1-carboxylate","","- C23 H16 O2 S -","- C23 H16 O2 S -","- C92 H64 O8 S4 -","4","1","BG2569","Valderrama-García, Bianca X.; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David; Rivera, Ernesto","Crystal structure of 2-(thiophen-3-yl)ethyl pyrene-1-carboxylate","Acta Crystallographica Section E","2015","71","12","o926","o927","10.1107/S2056989015020873","","","0.71073","MoKα","","0.0796","0.0573","","","0.1244","0.1476","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","174737","2020-10-21","18:00:00",""
"2241590","26.9108","0.001","18.3506","0.0006","13.4494","0.0004","90","","90","","90","","6641.7","0.4","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Octakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III) tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdate(VI)","","- C24 H56 Eu Mo12 N8 O48 P -","- C24 H56 Eu Mo12 N8 O48 P -","- C96 H224 Eu4 Mo48 N32 O192 P4 -","4","1","WM5274","Ghandour, Yassine; Hammami, Imen; Najmudin, Shabir; Bonifácio, Cecilia; Belkhiria, Mohamed Salah","Crystal structure of octakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III) tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdate(VI)","Acta Crystallographica Section E","2016","72","4","448","451","10.1107/S2056989016003546","","","0.71073","MoKα","","0.1086","0.0471","","","0.079","0.0947","","","","","","0.975","","","","has coordinates,has Fobs","177593","2020-10-21","18:00:00",""
"2241748","10.4408","0.0006","6.2129","0.0005","10.5052","0.0005","90","","90","","90","","681.45","0.07","140","2","140","1","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane","","- C5 H9 O3 P -","- C5 H9 O3 P -","- C20 H36 O12 P4 -","4","1","LH5816","Said, Musa A.; Al Belewi, Bayan L.; Hughes, David L.","Crystal structure of 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane","Acta Crystallographica Section E","2016","72","7","1021","1024","10.1107/S2056989016009993","","","0.71073","Mo-Kα","","0.0393","0.0333","","","0.0809","0.0844","","","","","","1.106","","","","has coordinates,has Fobs","183944","2020-10-21","18:00:00",""
"2241780","7.2326","0.0001","14.3442","0.0002","14.094","0.0003","90","","90","","90","","1462.19","0.04","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-nitrophenyl)acetamide monohydrate","","- C12 H14 N6 O4 S -","- C12 H14 N6 O4 S -","- C48 H56 N24 O16 S4 -","4","1","SU5311","Subasri, S.; Timiri, Ajay Kumar; Barji, Nayan Sinha; Venkatesh, Jayaprakash; Vijayan, Viswanathan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-nitrophenyl)acetamide monohydrate and <i>N</i>-(2-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2016","72","8","1171","1175","10.1107/S2056989016011658","","","0.71073","MoKα","","0.0304","0.0271","","","0.0671","0.0693","","","","","","1.039","","","","has coordinates,has Fobs","184620","2020-10-21","18:00:00",""
"2241794","8.069","0.0002","6.997","0.0002","11.7001","0.0006","90","","90","","90","","660.57","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,2-Dimethylhydrazin-1-ium dihydrogen phosphite","","- C2 H11 N2 O3 P -","- C2 H11 N2 O3 P -","- C8 H44 N8 O12 P4 -","4","1","SU5314","Katinaitė, Judita; Harrison, William T. A.","Different cation-protonation patterns in molecular salts of unsymmetrical dimethyhydrazine: C~2~H~9~N~2~·Br and C~2~H~9~N~2~·H~2~PO~3~","Acta Crystallographica Section E","2016","72","8","1206","1210","10.1107/S2056989016011993","","","0.71073","MoKα","","0.0258","0.0249","","","0.0641","0.0645","","","","","","1.087","","","","has coordinates,has Fobs","184734","2020-10-21","18:00:00",""
"2241810","18.508","0.005","4.994","0.005","29.594","0.005","90","","90","","90","","2735","3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[4-(Ethoxycarbonyl)piperazin-1-yl]benzoic acid","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","2","LH5818","Faizi, Md. Serajul Haque; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of 4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid","Acta Crystallographica Section E","2016","72","9","1267","1269","10.1107/S2056989016012482","","","0.71073","MoKα","","0.0982","0.0768","","","0.1815","0.2016","","","","","","1.077","","","","has coordinates,has Fobs","185714","2020-10-21","18:00:00",""
"2241812","9.6655","0.0004","6.2286","0.0003","29.1778","0.0013","90","","90","","90","","1756.58","0.14","173","2","173.15","","","","","","","","","4","P n a 21","P 2c -2n","33","1-naphthalene boronic acid","(Naphthalen-1-yl)boronic acid","","- C10 H9 B O2 -","- C10 H9 B O2 -","- C80 H72 B8 O16 -","8","2","HB7602","Bemisderfer, Kayleigh; Nazarenko, Alexander Y.","Two forms of (naphthalen-1-yl)boronic acid","Acta Crystallographica Section E","2016","72","9","1285","1289","10.1107/S2056989016012494","","","1.54178","CuKα","","0.0386","0.0346","","","0.0912","0.0944","","","","","","1.024","","","","has coordinates,has Fobs","185786","2020-10-21","18:00:00",""
"2241875","10.547","0.004","17.317","0.006","7.592","0.003","90","","90","","90","","1386.6","0.9","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>rac</i>-2,3-Diphenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one 1-oxide","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C64 H60 N4 O8 S4 -","4","1","GK2665","Yennawar, Hemant P.; Yang, Ziwei; Silverberg, Lee J.","Crystal structure of <i>rac</i>-2,3-diphenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one 1-oxide","Acta Crystallographica Section E","2016","72","11","1541","1543","10.1107/S2056989016015395","","","0.71073","MoKα","","0.0801","0.0746","","","0.1587","0.1612","","","","","","1.264","","","","has coordinates,has Fobs","187007","2020-10-21","18:00:00",""
"2241883","10.197","0.0007","18.6174","0.0012","7.5136","0.0005","90","","90","","90","","1426.39","0.16","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 1-allyl-4-methyl-1<i>H</i>-benzo[<i>c</i>][1,2]thiazine-3-carboxylate 2,2-dioxide","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C56 H60 N4 O16 S4 -","4","1","","Azotla-Cruz, Liliana; Shishkina, Svitlana; Ukrainets, Igor; Lijanova, Irina; Likhanova, Natalya","Crystal structure of methyl 1-allyl-4-methyl-1<i>H</i>-benzo[<i>c</i>][1,2]thiazine-3-carboxylate 2,2-dioxide","Acta Crystallographica Section E","2016","72","11","1574","1576","10.1107/S2056989016015978","","","0.71073","MoKα","","0.0509","0.0437","","","0.1137","0.1195","","","","","","1.05","","","","has coordinates,has Fobs","187343","2020-10-21","18:00:00",""
"2241890","9.0947","0.0002","31.0133","0.0006","7.1934","0.0001","90","","90","","90","","2028.95","0.07","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide-κ<i>N</i>^1^)silver(I)]-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","","- C16 H22 Ag N5 O6 S -","- C16 H22 Ag N5 O6 S -","- C64 H88 Ag4 N20 O24 S4 -","4","1","","Park, Hyunjin; Kwon, Eunjin; Yoon, Il; Kim, Jineun","Crystal structure of <i>catena</i>-poly[[(<i>N</i>,<i>N</i>-diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide-κ<i>N</i>^1^)silver(I)]-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","Acta Crystallographica Section E","2016","72","11","1610","1613","10.1107/S2056989016016662","","","0.71073","MoKα","","0.0345","0.0295","","","0.0515","0.0533","","","","","","0.983","","","","has coordinates,has Fobs","187489","2020-10-21","18:00:00",""
"2241891","12.816","0.005","6.371","0.003","10.439","0.004","90","","90","","90","","852.4","0.6","215","2","215","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>,<i>N</i>-Triethylhydroxylammonium chloride","","- C6 H16 Cl N O -","- C6 H16 Cl N O -","- C24 H64 Cl4 N4 O4 -","4","1","HB7617","Averkiev, Boris B.; Valencia, Bianca C.; Getmanenko, Yulia A.; Timofeeva, Tatiana V.","Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>-triethylhydroxylammonium chloride","Acta Crystallographica Section E","2016","72","11","1607","1609","10.1107/S2056989016016169","","","0.71073","MoKα","","0.0209","0.0206","","","0.056","0.0563","","","","","","1.039","","","","has coordinates,has Fobs","187490","2020-10-21","18:00:00",""
"2241927","7.9081","0.0003","5.8434","0.0003","37.4435","0.0016","90","","90","","90","","1730.27","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-Bis[(<i>E</i>)-4-methoxybenzylideneamino]propan-2-ol","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","HB7623","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis[(<i>E</i>)-4-methoxybenzylideneamino]propan-2-ol","Acta Crystallographica Section E","2016","72","12","1731","1733","10.1107/S2056989016016947","","","0.71073","MoKα","","0.0505","0.0462","","","0.1198","0.1231","","","","","","1.01","","","","has coordinates,has Fobs","187835","2020-10-21","18:00:00",""
"2242003","13.0578","0.0002","22.6513","0.0004","5.93756","0.00008","90","","90","","90","","1756.19","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Chloro-3-methyl-<i>r</i>-2,<i>c</i>-6-di-<i>p</i>-tolylpiperidin-4-one","","- C20 H22 Cl N O -","- C20 H22 Cl N O -","- C80 H88 Cl4 N4 O4 -","4","1","","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.035","0.0339","","","0.0857","0.087","","","","","","1.066","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242004","13.243","0.0004","22.3945","0.0006","5.81947","0.00014","90","","90","","90","","1725.88","0.08","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Chloro-3-methyl-<i>r</i>-2,<i>c</i>-6-bis(4-chlorophenyl)piperidin-4-one","","- C18 H16 Cl3 N O -","- C18 H16 Cl3 N O -","- C72 H64 Cl12 N4 O4 -","4","1","","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.0336","0.0319","","","0.082","0.0836","","","","","","1.02","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242133","6.715","0.0013","13.504","0.003","16.757","0.003","90","","90","","90","","1519.5","0.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Benzyl-8-bromo-2-methyl[1,3]oxazolo[4,5-<i>c</i>]-1,8-naphthyridin-4(5<i>H</i>)-one","","- C17 H12 Br N3 O2 -","- C17 H12 Br N3 O2 -","- C68 H48 Br4 N12 O8 -","4","1","RZ5210","Vrijdag, Johannes; Van den Bogaert, An; De Borggraeve, Wim; Van Meervelt, Luc","Crystal structure of 5-benzyl-8-bromo-2-methyl-1,3-oxazolo[4,5-<i>c</i>][1,8]naphthyridin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2017","73","5","687","690","10.1107/S2056989017005023","","","0.71073","MoKα","","0.0375","0.0274","","","0.0644","0.0687","","","","","","1.156","","","","has coordinates,has Fobs","199111","2020-10-21","18:00:00",""
"2242564","7.7483","0.0002","19.3451","0.0006","7.2338","0.0002","90","","90","","90","","1084.29","0.05","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","Dimethyl 5-iodoisophthalate","1,3-Dimethyl 1-iodocyclohexa-3,5-diene-1,3-dicarboxylate","","- C10 H9 I O4 -","- C10 H9 I O4 -","- C40 H36 I4 O16 -","4","1","ZL2732","Hauptvogel, Ines; Seichter, Wilhelm; Weber, Edwin","Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate","Acta Crystallographica Section E","2018","74","8","1093","1096","10.1107/S205698901800912X","","","0.71073","MoKα","","0.0164","0.0154","","","0.0375","0.0379","","","","","","1.054","","","","has coordinates,has Fobs","209030","2020-10-21","18:00:00",""
"2242644","11.1559","0.0003","3.9258","0.0001","21.6293","0.0006","90","","90","","90","","947.27","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(1<i>H</i>-Pyrrol-2-yl)-1-(thiophen-2-yl)propanone","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","TX2008","Gibbons, Dáire; Emandi, Ganapathi; Senge, Mathias O.","Crystal structure and synthesis of 3-(1<i>H</i>-pyrrol-2-yl)-1-(thiophen-2-yl)propanone","Acta Crystallographica Section E","2018","74","10","1463","1466","10.1107/S2056989018012331","","x-ray","0.71073","MoKα","","0.0346","0.0321","","","0.0802","0.0821","","","","","","1.059","","","","has coordinates,has Fobs","211114","2020-10-21","18:00:00",""
"2242666","11.1719","0.0002","16.426","0.0003","4.0249","0.0001","90","","90","","90","","738.61","0.03","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Methoxy-benzaldehyde oxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","1.54178","CuKα","","0.033","0.0325","","","0.0877","0.088","","","","","","1.079","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242819","9.6002","0.001","11.5584","0.0013","12.5823","0.0012","90","","90","","90","","1396.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","(<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-4-methylbenzohydrazide","(<i>E</i>)-4-Methyl-<i>N</i>'-(2-bromobenzylidene)benzohydrazide","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","LH5887","Anitha, Azhagan Ganapathi; Arunagiri, Chidambaram; Subashini, Annamalai","Synthesis, X-ray crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-<i>N</i>'-(2-bromobenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2019","75","2","109","114","10.1107/S2056989018017978","","","0.71073","MoKα","","0.0763","0.0365","","","0.0723","0.0974","","","","","","1.095","","","","has coordinates","213117","2020-10-21","18:00:00",""
"2242873","30.79","0.003","9.0703","0.0006","4.8579","0.0003","90","","90","","90","","1356.69","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol","","- C15 H12 F3 N O3 -","- C15 H12 F3 N O3 -","- C60 H48 F12 N4 O12 -","4","1","WM5488","Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Dege, Necmi; Aĝar, Erbil; Bulbul, Hakan; Golenya, Irina A.","(<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol","Acta Crystallographica Section E","2019","75","4","470","474","10.1107/S2056989019003220","","","0.71073","MoKα","","0.131","0.0621","","","0.0744","0.0877","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","214375","2020-10-21","18:00:00",""
"2242936","20.9154","0.0011","11.4208","0.0006","8.8938","0.0006","90","","90","","90","","2124.5","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-[4-(1<i>H</i>-Benzo[<i>d</i>]imidazole-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate","","- C23 H18 N4 O2 S -","- C23 H18 N4 O2 S -","- C92 H72 N16 O8 S4 -","4","1","WM5496","Demir Kanmazalp, Sibel; Şen, Pınar; Dege, Necmi; Yildiz, Salih Zeki; Ozdemir, Namık; Golenya, Irina A.","Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2019","75","6","780","784","10.1107/S2056989019006510","","","0.71073","MoKα","","0.101","0.0421","","","0.084","0.0976","","","","","","0.833","","","","has coordinates,has disorder,has Fobs","215134","2020-10-21","18:00:00",""
"2243024","13.9181","0.0007","13.4336","0.0006","8.408","0.0004","90","","90","","90","","1572.05","0.13","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(4-Bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","","- C14 H8 Br Cl2 N3 O2 -","- C14 H8 Br Cl2 N3 O2 -","- C56 H32 Br4 Cl8 N12 O8 -","4","1","WM5507","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A.","Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2019","75","8","1199","1204","10.1107/S2056989019010004","","","0.71073","MoKα","","0.0463","0.0326","","","0.0743","0.0814","","","","","","1.02","","","","has coordinates,has Fobs","217190","2020-10-21","18:00:00",""
"2243025","13.8689","0.0007","13.3674","0.0007","8.362","0.0005","90","","90","","90","","1550.24","0.15","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(4-Chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","","- C14 H8 Cl3 N3 O2 -","- C14 H8 Cl3 N3 O2 -","- C56 H32 Cl12 N12 O8 -","4","1","WM5507","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A.","Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2019","75","8","1199","1204","10.1107/S2056989019010004","","","0.71073","MoKα","","0.0549","0.0369","","","0.0831","0.0914","","","","","","1.043","","","","has coordinates,has Fobs","217190","2020-10-21","18:00:00",""
"2243064","7.6595","0.0003","20.9841","0.0007","7.8641","0.0003","90","","90","","90","","1263.98","0.08","150","0.1","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","5-[(Prop-2-en-1-yl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]-1<i>H</i>-tetrazole","","- C11 H9 F3 N4 S -","- C11 H9 F3 N4 S -","- C44 H36 F12 N16 S4 -","4","1","HB7842","Slyvka, Yurii; Goreshnik, Evgeny; Pokhodylo, Nazariy; Mys`kiv, Marian","Crystal structure, Hirshfeld surface analysis and computational studies of 5-[(prop-2-en-1-yl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2019","75","9","1331","1335","10.1107/S2056989019011459","","","0.71073","MoKα","","0.0451","0.0352","","","0.0737","0.0792","","","","","","1.071","","","","has coordinates,has Fobs","217676","2020-10-21","18:00:00",""
"2243072","11.7579","0.0004","15.0584","0.0005","7.1103","0.0003","90","","90","","90","","1258.92","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-{[(2-Hydroxyphenyl)methylidene]amino}morpholine-4-carbothioamide","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C48 H60 N12 O8 S4 -","4","1","MW2147","Tran Buu, Dang; Duong Ba, Vu; Khoi Nguyen Hoang, Minh; Vu Quoc, Trung; Duong Khanh, Linh; Oanh Doan Thi, Yen; Van Meervelt, Luc","Synthesis and redetermination of the crystal structure of salicylaldehyde <i>N</i>(4)-morpholinothiosemicarbazone","Acta Crystallographica Section E","2019","75","9","1389","1393","10.1107/S2056989019011812","","x-ray","0.71073","MoKα","","0.0385","0.0335","","","0.0833","0.0873","","","","","","1.073","","","","has coordinates,has Fobs","217894","2020-10-21","18:00:00",""
"2243104","9.3225","0.0009","28.261","0.003","5.8228","0.0008","90","","90","","90","","1534.1","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(4-Methoxyphenyl)piperazin-1-ium hydrogensuccinate","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","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","","0.0544","0.0426","","","0.0966","0.1043","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243105","9.069","0.001","28.528","0.003","5.8375","0.0009","90","","90","","90","","1510.3","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(4-Methoxyphenyl)piperazin-1-ium hydrogenfumarate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","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","","0.0559","0.041","","","0.0936","0.101","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","218665","2020-10-21","18:00:00",""
"2243138","18.99","0.004","9.364","0.0019","13.636","0.003","90","","90","","90","","2424.8","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[(perchlorato-κ<i>κO</i>)copper(II)]-μ-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^4^,<i>N</i>^5^] bis(perchlorate)]","","- C13 H30 Cl3 Cu N5 O14 -","- C13 H30 Cl3 Cu N5 O14 -","- C52 H120 Cl12 Cu4 N20 O56 -","4","1","HB7857","Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D.","The first structural characterization of the protonated azacyclam ligand in <i>catena</i>-poly[[[(perchlorato)copper(II)]-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane] bis(perchlorate)]","Acta Crystallographica Section E","2019","75","11","1700","1704","10.1107/S205698901901377X","","","0.71073","MoKα","","0.1239","0.0695","","","0.1731","0.2151","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","219485","2020-10-21","18:00:00",""
"2243204","8.98884","0.00006","17.01605","0.0001","8.67653","0.00005","90","","90","","90","","1327.11","0.014","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","Triammonium dialuminium tris(phosphate)","","- Al2 H12 N3 O12 P3 -","- Al2 H12 N3 O12 P3 -","- Al8 H48 N12 O48 P12 -","4","1","WM5528","Nicholas, Christopher P.; Mowat, John P.S.; Broach, Robert W.","Structure refinement of (NH~4~)~3~Al~2~(PO~4~)~3~ prepared by ionothermal synthesis in phosphonium based ionic liquids ‒ a redetermination","Acta Crystallographica Section E","2019","75","12","1897","1901","10.1107/S2056989019015330","powder diffraction","x-ray","0.373811","synchrotron","","","","","","","","","","1.69","","","","","","","has coordinates","231078","2020-10-21","18:00:00",""
"2243244","26.2059","0.0018","4.8119","0.0003","12.8084","0.0009","90","","90","","90","","1615.14","0.19","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-<i>N</i>'-[(1-Chloro-3,4-dihydronaphthalen-2-yl)methylidene]\ benzohydrazide monohydrate","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","IS5528","Arjun, H. A.; Anil Kumar, G. N.; Elancheran, R.; Kabilan, S.","Crystal structure, DFT and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2020","76","2","132","136","10.1107/S2056989019017183","","","0.71073","MoKα","","0.0894","0.045","","","0.1161","0.1514","","","","","","1.027","","","","has coordinates,has Fobs","246739","2020-10-21","18:00:00",""
"2243308","6.9683","0.0007","7.9683","0.0008","18.975","0.002","90","","90","","90","","1053.6","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Methoxyphenyl)piperazine","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","ZL2772","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher","Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts","Acta Crystallographica Section E","2020","76","4","488","495","10.1107/S2056989020002844","","","0.71073","MoKα","","0.0508","0.0355","","","0.0815","0.0884","","","","","","1.062","","","","has coordinates,has Fobs","249116","2020-10-21","18:00:00",""
"2243429","21.1326","0.001","8.547","0.0004","29.9188","0.0014","90","","90","","90","","5403.9","0.4","88","2","88","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Aqua(<i>tert</i>-butylcyanamidato)(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium(I)‒(<i>tert</i>-butylcyanamidato)(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium(I)‒<i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide (1/1/1)","","- C43 H88 K2 N6 O14 -","- C43 H88 K2 N6 O14 -","- C172 H352 K8 N24 O56 -","4","1","MW2161","Chung, Amanda B.; Ziller, Joseph W.; Evans, William J.","Reductive cleavage of <i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide generates <i>tert</i>-butylcyanamide ligands, (Me~3~CNCN)^{-^}, that bind potassium both end-on and side-on in the same single crystal","Acta Crystallographica Section E","2020","76","7","1047","1050","10.1107/S205698902000732X","","","0.71073","MoKα","","0.0455","0.0326","","","0.0606","0.0649","","","","","","1.017","","","","has coordinates,has Fobs","253057","2020-10-21","18:00:00",""
"2243450","12.8022","0.0004","24.4556","0.0009","4.1459","0.0001","90","","90","","90","","1298.02","0.07","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{[(4-Iodophenyl)imino]methyl}-4-nitrophenol","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","PK2635","Faizi, Md. Serajul Haque; Alagöz, Tenzile; Ahmed, Ruby; Cinar, Emine Berrin; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure and Hirshfeld surface analysis of 2-{[(4-iodophenyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2020","76","7","1146","1149","10.1107/S2056989020008191","","","0.71073","MoKα","","0.0414","0.0373","","","0.0911","0.0938","","","","","","1.045","","","","has coordinates,has Fobs","253510","2020-10-21","18:00:00",""
"2243487","10.2778","0.0007","11.4064","0.0011","17.5586","0.0015","90","","90","","90","","2058.4","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","6,6'-[(Cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)","","- C24 H33 N O2 -","- C24 H33 N O2 -","- C96 H132 N4 O8 -","4","1","HB7926","Wannapaiboon, Suttipong; Hanlumyuang, Yuranan; Chansaenpak, Kantapat; Pinyou, Piyanut; Veranitisagul, Chatchai; Laobuthee, Apirat; Wattanathana, Worawat","Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a dihydrobenzoxazine: 6,6'-[(cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)","Acta Crystallographica Section E","2020","76","8","1239","1244","10.1107/S2056989020009184","","","0.71073","MoKα","","0.067","0.0526","","","0.1295","0.139","","","","","","1.037","","","","has coordinates,has Fobs","254205","2020-10-21","18:00:00",""
"2243659","14.273","0.0013","12.7102","0.0012","3.7154","0.0003","90","","90","","90","","674.02","0.1","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","CT2491C; 3-chloro-5-fluorosalicylaldehyde","3-Chloro-5-fluoro-2-hydroxybenzaldehyde","","- C7 H4 Cl F O2 -","- C7 H4 Cl F O2 -","- C28 H16 Cl4 F4 O8 -","4","1","PK2651","Triggs, Christopher T.; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 3-chloro-5-fluorosalicylaldehyde","Acta Crystallographica Section E","2020","76","12","1810","1812","10.1107/S2056989020014425","","","0.71073","MoKα","","0.0243","0.0231","","","0.0652","0.066","","","","","","1.068","","","","has coordinates,has Fobs","258721","2020-11-04","05:14:27",""
"2243668","11.2952","0.0008","20.9595","0.0015","6.684","0.0005","90","","90","","90","","1582.4","0.2","93","2","93","2","","","","","","","","3","P n a 21","P 2c -2n","33","III","<i>trans</i>-11-Methyl-4-phenyl-1,10-dioxacyclotridec-5-ene-2,9-dione","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","MW2168","Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W.","Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation","Acta Crystallographica Section E","2020","76","10","1617","1623","10.1107/S2056989020012037","","","0.71073","MoKα","","0.0545","0.0499","","","0.1228","0.1276","","","","","","1.149","","","","has coordinates,has Fobs","259018","2020-11-06","23:28:07",""
"2243702","7.27","0.001","9.907","0.002","8.551","0.002","90","","90","","90","","615.9","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Amino-1<i>H</i>-pyrazol-2-ium nitrate","","- C3 H6 N4 O3 -","- C3 H6 N4 O3 -","- C12 H24 N16 O12 -","4","1","DX2033","Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate","Acta Crystallographica Section E","2021","77","1","34","41","10.1107/S2056989020015959","","","0.71073","MoKα","","0.0449","0.0359","","","0.0863","0.0921","","","","","","1.111","","","","has coordinates,has Fobs","259830","2020-12-12","05:50:52",""
"2243705","8.284","0.002","8.006","0.002","31.637","0.006","90","","90","","90","","2098.2","0.8","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6-Formyl-7,8,9,11-tetrahydro-5<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-11-one","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","2","WM5590","Tojiboev, Akmal; Zhurakulov, Sherzod; Vinogradova, Valentina; Englert, Ulli; Wang, Ruimin","Crystal structure, Hirshfeld surface analysis and energy framework study of 6-formyl-7,8,9,11-tetrahydro-5<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-11-one","Acta Crystallographica Section E","2021","77","1","47","51","10.1107/S2056989020016059","","","1.54186","CuKα","","0.0378","0.036","","","0.1006","0.1033","","","","","","1.029","","","","has coordinates,has Fobs","259833","2020-12-12","05:52:28",""
"2243805","20.085","0.002","20.165","0.002","7.322","0.0006","90","","90","","90","","2965.5","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(6-Methoxybenzo[<i>d</i>]thiazol-2-yl)-2-nitrobenzamide","","- C15 H11 N3 O4 S -","- C15 H11 N3 O4 S -","- C120 H88 N24 O32 S8 -","8","2","HB7974","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Different patterns of supramolecular aggregation in three amides containing <i>N</i>-(benzo[<i>d</i>]thiazolyl) substituents","Acta Crystallographica Section E","2021","77","5","504","511","10.1107/S2056989021003637","","","0.71073","MoKα","","0.1054","0.0491","","","0.0632","0.0748","","","","","","1.047","","","","has coordinates,has Fobs","264036","2021-04-10","05:05:22",""
"2243815","14.5937","0.0006","11.4425","0.0005","13.5794","0.0005","90","","90","","90","","2267.6","0.16","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","{6,6'-Dimethoxy-2,2'-[(4-azaheptane-1,7-diyl)bis(nitrilomethanylidyne)]diphenolato}zinc(II) methanol monosolvate","","- C23 H31 N3 O5 Zn -","- C23 H31 N3 O5 Zn -","- C92 H124 N12 O20 Zn4 -","4","1","","Noor, Shabana; Suda, Shintaro; Haraguchi, Tomoyuki; Khatoon, Fehmeeda; Akitsu, Takashiro","Chiral crystallization of a zinc(II) complex","Acta Crystallographica Section E","2021","77","5","542","546","10.1107/S2056989021003650","","","0.71073","MoKα","","0.0539","0.035","","","0.0791","0.0865","","","","","","1.043","","","","has coordinates,has Fobs","264501","2021-04-24","05:01:47",""
"2243904","16.2689","0.0006","12.8086","0.0007","4.9983","0.0002","90","","90","","90","","1041.55","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-(Pyridine-2-carbonyl)pyridine-2-carboxamide","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C48 H36 N12 O8 -","4","1","VM2252","Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof","Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008562","","x-ray","1.54184","CuKα","","0.0656","0.0597","","","0.159","0.17","","","","","","1.071","","","","has coordinates","268201","2021-08-25","02:10:52",""
"2243905","16.6058","0.001","12.9096","0.0007","4.9153","0.0003","90","","90","","90","","1053.71","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(3-Fluoropyridine-2-carbonyl)pyridine-2-carboxamide","","- C12 H8 F N3 O2 -","- C12 H8 F N3 O2 -","- C48 H32 F4 N12 O8 -","4","1","VM2252","Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof","Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008562","","x-ray","1.54184","CuKα","","0.0642","0.0545","","","0.1401","0.1518","","","","","","1.034","","","","has coordinates,has disorder","268201","2021-08-25","02:10:52",""
"2243933","10.7174","0.0005","13.8944","0.0007","4.0643","0.0002","90","","90","","90","","605.22","0.05","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ammonium carbamoyl(cyano)(nitroso)methanide","","- C3 H6 N4 O2 -","- C3 H6 N4 O2 -","- C12 H24 N16 O8 -","4","1","HB7989","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010239","","","0.71073","MoKα","","0.0357","0.0323","","","0.0797","0.0814","","","","","","1.095","","","","has coordinates,has Fobs","269936","2021-10-14","02:27:36",""
"2243949","17.3298","0.0008","14.1856","0.0007","6.5857","0.0003","90","","90","","90","","1618.99","0.13","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(Hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","YK2159","Gümüş, Mustafa Kemal; Kansiz, Sevgi; Tulemisova, Gulzhamal Bagitovna; Dege, Necmi; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021012640","","","0.71073","MoKα","","0.0617","0.0414","","","0.0898","0.0964","","","","","","1.014","","","","has coordinates,has Fobs","271438","2021-12-15","03:08:39",""
"2243994","8.3068","0.0009","24.328","0.0019","10.137","0.0009","90","","90","","90","","2048.6","0.3","150","0.1","150","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","(2-{[(2-Hydroxyethyl-κ<i>O</i>)amino-κ<i>N</i>]methyl}-6-methoxyphenolato-κ<i>O</i>)(2-{[(2-hydroxyethyl)imino-κ<i>N</i>]methyl}-6-methoxyphenolato-κ<i>O</i>)copper(II)","","- C20 H26 Cu N2 O6 -","- C20 H26 Cu N2 O6 -","- C80 H104 Cu4 N8 O24 -","4","1","WM5622","Plyuta, Nataliya; Kokozay, Vladimir N.; Rusanova, Julia A.; Buvailo, Halyna; Goreshnik, Evgeny; Petrusenko, Svitlana","A bis-chelate <i>o</i>-vanillin-2-ethanolamine copper(II) complex bearing both imine and amine forms of the ligand","Acta Crystallographica Section E","2021","77","12","1272","1275","10.1107/S205698902101166X","","x-ray","0.71073","MoKα","","0.0363","0.0322","","","0.0757","0.0787","","","","","","1.061","","","","has coordinates,has Fobs","271913","2022-01-06","23:13:09",""
"2244117","13.8678","0.0005","13.5442","0.0005","8.3017","0.0003","90","","90","","90","","1559.29","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-(4-Bromophenyl)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]diazene","","- C14 H8 Br3 N3 O2 -","- C14 H8 Br3 N3 O2 -","- C56 H32 Br12 N12 O8 -","4","1","YK2170","Akkurt, Mehmet; Yıldırım, Sema Öztürk; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Niyazova, Ayten A.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2022","78","7","","","10.1107/S205698902200620X","","","0.71073","MoKα","","0.0489","0.0333","","","0.0769","0.0847","","","","","","1.023","","","","has coordinates,has Fobs","276079","2022-06-17","01:55:24",""
"2244153","17.8424","0.0004","8.8124","0.0002","34.9337","0.0009","90","","90","","90","","5492.8","0.2","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis[4-(4-methoxyphenyl)piperazin-1-ium] benzene-1,2-dicarboxylate","","- C30 H38 N4 O6 -","- C30 H38 N4 O6 -","- C240 H304 N32 O48 -","8","2","ZL5034","Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher","Syntheses and crystal structures of 4-(4-methoxyphenyl)piperazin-1-ium 4-methylbenzoate monohydrate and bis[4-(4-methoxyphenyl)piperazin-1-ium] benzene-1,2-dicarboxylate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022008337","","","1.54178","CuKα","","0.0385","0.0372","","","0.0965","0.0976","","","","","","1.07","","","","has coordinates,has Fobs","277424","2022-08-27","02:38:22",""
"2244178","18.7779","0.0004","10.0699","0.0002","15.7288","0.0003","90","","90","","90","","2974.18","0.1","90","0.2","90","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Benzoyl-4-(4-nitrophenyl)piperazine","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C136 H136 N24 O24 -","8","2","TX2058","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90K","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009008","","","1.54178","CuKα","","0.0286","0.0279","","","0.0742","0.0748","","","","","","1.042","","","","has coordinates,has Fobs","278105","2022-09-23","02:10:13",""
"2244182","13.4639","0.0002","7.8555","0.0001","20.1288","0.0003","90","","90","","90","","2128.94","0.05","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>N</i>-methyl-<i>N</i>'-(Pyridin-2-yl)benzene-1,2-diamine","","- C12 H13 N3 -","- C12 H13 N3 -","- C96 H104 N24 -","8","2","VM2268","Collis, Gavin; Bilyk, Alex; Kazanori, Ueno; Forsyth, Craig M.","Intermolecular hydrogen bonding in <i>N</i>-methyl-<i>N</i>'-(pyridin-2-yl)benzene-1,2-diamine","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009173","","","1.54178","CuKα","","0.0294","0.0285","","","0.0712","0.0721","","","","","","1.064","","","","has coordinates,has Fobs","278237","2022-09-28","01:57:34",""
"2244200","27.4318","0.001","12.6723","0.0004","10.6434","0.0003","90","","90","","90","","3699.9","0.2","180","0.14","180","0.14","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis{3-(3-bromo-4-methoxyphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II) methanol disolvate","","- C36 H32 Br2 Fe N12 O4 -","- C36 H32 Br2 Fe N12 O4 -","- C144 H128 Br8 Fe4 N48 O16 -","4","1","DJ2053","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym","Crystal structure of bis{3-(3-bromo-4-methoxyphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II) methanol disolvate","Acta Crystallographica Section E","2022","78","11","1138","1142","10.1107/S2056989022010179","","x-ray","0.71073","MoKα","","0.0968","0.0571","","","0.1057","0.1252","","","","","","1.026","","","","has coordinates,has Fobs","278876","2022-10-29","12:15:11",""
"2244236","16.423","0.0013","6.5609","0.0004","33.469","0.002","90","","90","","90","","3606.3","0.4","300","2","300.15","","","","","","","","","4","P n a 21","P 2c -2n","33","<i>N</i>-Isopropyl-4-benzyloxy-3-indoleglyoxylamide","2-[4-(Benzyloxy)-1<i>H</i>-indol-3-yl]-2-oxo-<i>N</i>-(propan-2-yl)acetamide","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","2","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","","0.0612","0.0461","","","0.1074","0.1172","","","","","","1.039","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2300451","20.31875","0.00069","7.84999","0.00012","9.10539","0.00042","90","","90","","90","","1452.33","0.09","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","tolbutamide IL","N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.054","2.88","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300509","9.0136","0.0012","21.5","0.003","4.7005","0.0006","90","","90","","90","","910.9","0.2","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H9 N3 O6 -","- C6 H9 N3 O6 -","- C24 H36 N12 O24 -","4","1","","Prasad, A. Aditya; Meenakshisundaram, S. P.","Hydrogen-bonded supramolecular architecture in nonlinear optical ammonium 2,4-dinitrophenolate hydrate","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715006445","","x-ray","0.71073","MoKα","","0.05","0.0392","","","0.0756","0.0833","","","","","","1.027","","","","has coordinates,has Fobs","137268","2020-10-21","18:00:00",""
"2300660","9.5277","0.0008","11.1555","0.0011","11.7848","0.001","90","","90","","90","","1252.56","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","EI5022","Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Rao, Devarapalli Chenna; Gopalaiah, Kovuru; Kumar, Binay","An insight into the synthesis, crystal structure, geometrical modelling of crystal morphology, Hirshfeld surface analysis and characterization ofN-(4-methylbenzyl)benzamide single crystals","Journal of Applied Crystallography","2017","50","5","1498","","10.1107/S1600576717012316","","","0.71073","MoKα","","0.1902","0.0633","","","0.0763","0.1079","","","","","","0.972","","","","has coordinates","246053","2020-10-21","18:00:00",""
"2300727","8.226","0.003","13.408","0.004","12.222","0.004","90","","90","","90","","1348","0.8","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M.","Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan","Journal of Applied Crystallography","2024","57","1","","","10.1107/S1600576723010609","","x-ray","0.71073","MoKα","","0.0284","0.0218","","","0.0389","0.0409","","","","","","1.046","","","","has coordinates,has Fobs","289170","2024-01-20","02:46:04",""
"2300730","15.0815","0.0004","24.6147","0.0006","5.0146","0.0001","90","","90","","90","","1861.55","0.08","120.15","","120.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H11 F2 N3 O -","- C8 H11 F2 N3 O -","- C64 H88 F16 N24 O8 -","8","2","","Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael","Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>.","Journal of applied crystallography","2024","57","Pt 1","161","174","10.1107/S1600576723010981","","","0.71073","MoKα","","0.0541","0.0396","","","0.0951","0.1019","","","","","","0.9488","","","","has coordinates","290340","2024-03-05","20:46:24",""
"2310327","27.251","","12.578","","7.239","","90","","90","","90","","2481.26","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","K2 (Zn Cl4)","","- Cl4 K2 Zn -","- Cl4 K2 Zn -","- Cl48 K24 Zn12 -","12","3","","Ferrari, E. S.; Roberts, K. J.; Thomson, G. B.; Gale, J. D.; Catlow, C. R. A.","Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations","Acta Crystallographica Section A","2001","57","3","264","271","10.1107/S0108767300017955","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310490","12.825","","7.5","","6.099","","90","","90","","90","","586.648","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Zn Al2 S4","","- Al2 S4 Zn -","- Al2 S4 Zn -","- Al8 S16 Zn4 -","4","1","","Steigmann, G.A.","The crystal structure of Zn Al2 S4","Acta Crystallographica (1,1948-23,1967)","1967","23","","142","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310547","5.553","","11.732","","3.867","","90","","90","","90","","251.927","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Pb N C N","","- C N2 Pb -","- C N2 Pb -","- C4 N8 Pb4 -","4","1","","Cooper, M.J.","The Structures of Some Inorganic Cyanamides. II. The Structure of Lead Cyanamide","Acta Crystallographica (1,1948-23,1967)","1964","17","","1452","1456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310919","21.2","","4.06","","12.02","","90","","90","","90","","1034.58","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Pb (S C (N H2)2)2 Cl2","","- C2 H8 Cl2 N4 Pb S2 -","- C2 Cl2 N4 Pb S2 -","- C8 Cl8 N16 Pb4 S8 -","4","1","","Nardelli, M.; Fava, G.","The Crystal Structure of bis-Thiourea-Lead(II) Chloride","Acta Crystallographica (1,1948-23,1967)","1959","12","","727","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311098","16.8015","0.0005","6.5945","0.0002","22.4243","0.0006","90","","90","","90","","2484.56","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","tri-(o-Chloroanilinium Nitrate","tri-(o-Chloroanilinium Nitrate","","- C6 H7 Cl N2 O3 -","- C6 H7 Cl N2 O3 -","- C72 H84 Cl12 N24 O36 -","12","3","","Athmani, Hamza; Kijatkin, Christian; Benali-Cherif, Rim; Pillet, Sébastien; Schaniel, Dominik; Imlau, Mirco; Benali-Cherif, Nourredine; Bendeif, El-Eulmi","Nonlinear optical organic‒inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri-(<i>o</i>-chloroanilinium nitrate)","Acta Crystallographica Section A","2019","75","1","107","114","10.1107/S2053273318014122","","","0.71073","MoKα","","0.0771","0.0474","","","0.0876","0.099","","","","","","1.065","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2311141","13.442","0.0018","8.0015","0.001","14.2416","0.0018","90","","90","","90","","1531.8","0.3","130","2","130","2","","","","","","","","3","P n a 21","P 2c -2n","33","","9-(2-Hydroxy-6-oxocyclohex-1-en-1-yl)-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","NK2202","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Saeed, Aamer; Flörke, Ulrich","9-(2-Hy-droxy-6-oxocyclo-hex-1-en-1-yl)-2,3,4,9-tetra-hydro-1H-xanthen-1-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o616","7","10.1107/S1600536813007952","","","0.71073","MoKα","","0.0458","0.0433","","","0.1088","0.111","","","","","","1.057","","","","has coordinates","245613","2020-10-21","18:00:00",""
"2311227","21.889","0.0017","5.7384","0.0004","16.6941","0.0013","90","","90","","90","","2096.9","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-((1<i>E</i>)-1-{2-[(2<i>Z</i>)-3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)pyridin-1-ium bromide monohydrate","","- C22 H21 Br N4 O S -","- C22 H21 Br N4 O S -","- C88 H84 Br4 N16 O4 S4 -","4","1","XU5779","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","2-((1E)-1-{2-[(2Z)-3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)pyridin-1-ium bromide monohydrate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 4","o478","9","10.1107/S1600536814006229","","","0.71073","MoKα","","0.0311","0.0265","","","0.0587","0.0602","","","","","","1.047","","","","has coordinates","245700","2020-10-21","18:00:00",""
"2311350","19.509","0.002","8.2306","0.0013","11.1","0.002","90","","90","","90","","1782.3","0.5","303","2","303","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Poly[bis(μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>)tris(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)bis(<i>N</i>-methylethane-1,2-diamine\- κ^2^<i>N</i>,<i>N</i>')tricopper(I)copper(II)]","","- C11 H20 Cu4 N9 -","- C11 H20 Cu4 N9 -","- C44 H80 Cu16 N36 -","4","1","PK2594","Corfield, Peter W. R.; Sabatino, Alexander","Crystal structures of two mixed-valence copper cyanide complexes with <i>N</i>-methyl-ethylenedi-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","141","146","10.1107/S2056989017000111","","","0.7107","MoKα","","0.0189","0.018","","","0.0445","0.0447","","","","","","1.046","","","","has coordinates","245816","2020-10-21","18:00:00",""
"2311352","8.7362","0.0002","20.5351","0.00016","5.1682","0.0005","90","","90","","90","","927.17","0.09","300","","300","","","","","","","","","4","P n a 21","P 2c -2n","33","cesium dihydrogen citrate","cesium dihydrogen citrate","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","VN2124","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","3.43","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311353","8.7362","","20.5351","","5.1682","","90","","90","","90","","927.169","","300","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311395","9.3022","0.001","28.482","0.003","5.5208","0.0006","90","","90","","90","","1462.7","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1<i>H</i>-1-Benzofuran-2-yl)-2-oxoethyl 2-nitrobenzoate","","- C17 H11 N O6 -","- C17 H11 N O6 -","- C68 H44 N4 O24 -","4","1","QM2116","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1087","1091","10.1107/S2056989017009422","","","0.71073","MoKα","","0.049","0.0382","","","0.0797","0.0854","","","","","","1.08","","","","has coordinates","245851","2020-10-21","18:00:00",""
"2311456","8.5797","0.0007","14.745","0.0013","16.772","0.0014","90","","90","","90","","2121.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3',8-Dibenzylidene-4a,5,6,7,8,8a-hexahydro-2'<i>H</i>-spiro[chromene-2,1'-cyclohexan]-2'-one","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","RK2438","Anis'kov, Alexander; Grinev, Vyacheslav; Klochkova, Irina","Crystal structure and features of 3',8-di-benzyl-idene-4a,5,6,7,8,8a-hexa-hydro-2'<i>H</i>-spiro-[chromene-2,1'-cyclo-hexa-n]-2'-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1622","1625","10.1107/S2056989017014165","","","0.71073","MoKα","","0.0763","0.0557","","","0.1196","0.1319","","","","","","1.047","","","","has coordinates","245899","2020-10-21","18:00:00",""
"2311536","21.577","0.011","3.5533","0.0018","16.096","0.008","90","","90","","90","","1234.1","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1<i>H</i>-Imidazol-3-ium 2,4,6-trinitrophenolate monohydrate","","- C9 H9 N5 O8 -","- C9 H9 N5 O8 -","- C36 H36 N20 O32 -","4","1","LH5861","Liu, Ling-Li","Stoichiometric and polymorphic salt of imidazolium picrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1885","1888","10.1107/S2056989017016401","","","0.71073","MoKα","","0.0429","0.0346","","","0.0817","0.0863","","","","","","1.036","","","","has coordinates","245964","2020-10-21","18:00:00",""
"2311612","20.781","0.004","9.1981","0.0013","7.3785","0.0016","90","","90","","90","","1410.4","0.5","100","","99.99","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H20 Cl N O2 -","- C14 H20 Cl N O2 -","- C56 H80 Cl4 N4 O8 -","4","1","","Wyss, Sara; Werner, Irmgard A.; Schweizer, W. Bernd; Ametamey, Simon M.; Milicevic Sephton, Selena","Preparation and structural analysis of (±)-threo-ritalinic acid.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 11","1225","1228","10.1107/S010827011302595X","","","0.71073","MoKα","","0.2314","0.0903","","","0.2205","0.3017","","","","","","1.02","","","","has coordinates,has disorder","246024","2020-10-21","18:00:00",""
"2311693","24.376","0.003","7.5507","0.0008","5.8064","0.0005","90","","90","","90","","1068.7","0.2","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H18 N2 O3 -","- C8 H18 N2 O3 -","- C32 H72 N8 O12 -","4","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","","","0.0551","","","","0.15","","","","","","1.022","","","","has coordinates","246085","2020-10-21","18:00:00",""
"2311734","11.5823","0.0006","13.8757","0.0007","7.4479","0.0003","90","","90","","90","","1196.97","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 F3 N2 -","- C14 H11 F3 N2 -","- C56 H44 F12 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0455","0.0368","","","0.0856","0.0897","","","","","","1.043","","","","has coordinates","246096","2020-10-21","18:00:00",""
"2311737","11.2082","0.0004","16.2891","0.0005","15.2689","0.0007","90","","90","","90","","2787.67","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 F6 N2 -","- C15 H10 F6 N2 -","- C120 H80 F48 N16 -","8","2","","Dey, Dhananjay; Chopra, Deepak","Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","781","793","10.1107/S2052520617006643","","","0.71073","MoKα","","0.0672","0.0495","","","0.1212","0.1325","","","","","","1.029","","","","has coordinates,has disorder","246096","2020-10-21","18:00:00",""
"2311852","21.9179","0.001","8.9546","0.0004","20.3544","0.0014","90","","90","","90","","3994.9","0.4","175","","175","","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexyl-<i>N</i>''-methylphosphoric triamide","","- C19 H38 N3 O P2 -","- C19 H38 N3 O P -","- C152 H304 N24 O8 P8 -","8","2","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.146","0.124","","0.3318","0.3133","0.3261","","","","","","1.2148","","","","has coordinates","246139","2020-10-21","18:00:00",""
"2312058","23.0774","0.0011","12.5622","0.0005","3.8498","0.0002","90","","90","","90","","1116.07","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>S</i>-(Pyridin-2-yl) 4-nitrobenzothioate","","- C12 H8 N2 O3 S -","- C12 H8 N2 O3 S -","- C48 H32 N8 O12 S4 -","4","1","YZ2028","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structures of <i>S</i>-(pyridin-2-yl) 4-nitro-benzo-thio-ate, <i>S</i>-(pyridin-2-yl) 4-methyl-benzo-thio-ate and <i>S</i>-(pyridin-2-yl) 4-meth-oxy-benzo-thio-ate: building blocks for low-symmetry multifunctional tetra-pyrroles.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","157","162","10.1107/S2056989023001056","","x-ray","1.54178","CuKα","","0.0457","0.0434","","","0.1198","0.1215","","","","","","1.035","","","","has coordinates,has Fobs","282420","2023-04-05","16:02:37",""
"2312308","18.116","0.016","10.359","0.008","12.148","0.01","90","","90","","90","","2280","3","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","ZUPI-OOH","Di-μ-peroxido-bis[tricarbonyl(pyridine)technetium] <i>syn</i>-[Tc~2~(CH~3~O)~2~(NC~5~H~5~)~2~(CO)~6~]","","- C16 H12 N2 O10 Tc2 -","- C16 H12 N2 O10 Tc2 -","- C64 H48 N8 O40 Tc8 -","4","1","ZO3037","Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.","X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007957","","","0.71073","MoKα","","0.0538","0.0455","","","0.1155","0.1221","","","","","","1.05","","","","has coordinates,has Fobs","286467","2023-09-22","01:54:42",""
"2312309","18.116","0.016","10.359","0.008","12.148","0.01","90","","90","","90","","2280","3","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","ZUPI-OME","di-μ-methoxido-bis[tricarbonyl(pyridine)technetium], <i>syn</i>-[Tc~2~(CH~3~O)~2~(NC~5~H~5~)~2~(CO)~6~]","","- C18 H16 N2 O8 Tc2 -","- C18 H16 N2 O8 Tc2 -","- C72 H64 N8 O32 Tc8 -","4","1","ZO3037","Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.","X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007957","","","0.71073","MoKα","","0.0502","0.0419","","","0.1067","0.1128","","","","","","1.051","","","","has coordinates,has Fobs","286467","2023-09-22","01:54:42",""
"3000114","8.478","0.005","7.398","0.004","5.22","0.003","90","","90","","90","","327.4","0.3","98","","98","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0405","0.0285","","","0.0277","0.029","","","","1.49","1.49","1.39","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000115","8.4386","0.0011","7.3725","0.0016","5.1954","0.0019","90","","90","","90","","323.22","0.14","123","","123","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0323","0.0248","","","0.0235","0.0245","","","","1.33","1.33","1.26","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000116","8.4524","0.0012","7.3868","0.0018","5.202","0.002","90","","90","","90","","324.79","0.15","148","","148","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0394","0.0292","","","0.0289","0.0298","","","","1.53","1.53","1.4","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000117","8.4437","0.0013","7.377","0.0019","5.189","0.002","90","","90","","90","","323.22","0.16","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0416","0.0262","","","0.0248","0.0265","","","","1.36","1.36","1.3","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000118","8.501","0.0012","7.4043","0.0018","5.211","0.002","90","","90","","90","","328","0.16","198","","198","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0373","0.0259","","","0.0235","0.0245","","","","1.23","1.23","1.14","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000119","8.446","0.0011","7.3749","0.0017","5.175","0.002","90","","90","","90","","322.34","0.15","223","","223","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0385","0.027","","","0.0255","0.0268","","","","1.34","1.34","1.25","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000120","8.4605","0.0011","7.3809","0.0016","5.1703","0.0019","90","","90","","90","","322.87","0.14","248","","248","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.047","0.0348","","","0.0343","0.0352","","","","1.72","1.72","1.54","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000121","8.4453","0.001","7.3653","0.0015","5.1564","0.0019","90","","90","","90","","320.74","0.14","273","","273","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0514","0.0365","","","0.0393","0.0401","","","","1.98","1.98","1.77","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000122","8.5109","0.0011","7.4112","0.0017","5.173","0.002","90","","90","","90","","326.29","0.15","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0462","0.0321","","","0.033","0.034","","","","1.63","1.63","1.46","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000450","23.456","","3.811","","24.879","","90","","90","","90","","2223.95","","79","","79","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- C13 H10 N2 O3 -","","","","","","Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Zhao, Yakai; Fujimoto, Yushi; Nishizawa, Tomohiro; Ito, Fuyuki; Ramamurty, Upadrasta; Thakuria, Ranjit; Kurisu, Genji","","To be published","","","","","","","","","0.02508","electrons","","0.1925","0.1215","","","0.2878","0.3097","","","","","","0.902","","","","","285081","2023-07-07","08:12:41","2024-06-07"
"3000486","10.3123","0.0001","15.4065","0.0002","24.0862","0.0004","90","","90","","90","","3826.73","0.09","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","","","4,7-bis[(4-(N,N-diphenylamino)phenylethynyl]benzo[1,2,3]thiadiazole","","- C47 H31 Cl3 N4 S -","","","","","","Rakovský, Erik; Hrobárik, Peter","","To be published","","","","","","","","x-ray","1.54186","CuKα","","0.0749","0.0654","","","0.1791","0.1896","","","","","","1.0314","","","","","289958","2024-02-25","17:00:33","2024-07-25"
"3500006","15.37","0.003","18.304","0.004","13.372","0.003","90","","90","","90","","3762","1.4","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H54 N14 Ni O3 S -","- C30 H48 N14 Ni O3 S -","- C120 H192 N56 Ni4 O12 S4 -","4","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.128","0.0636","","0.1673","0.1386","","","","1.005","1.148","1.148","","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500007","15.349","0.003","18.253","0.004","13.274","0.003","90","","90","","90","","3718.9","1.4","253","2","253","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H54 N14 Ni O3 S -","- C30 H48 N14 Ni O3 S -","- C120 H192 N56 Ni4 O12 S4 -","4","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2011","","","","","","","","0.71073","MoKα","","0.2234","0.0643","","0.1057","0.0801","","","","0.816","1.11","1.11","","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500101","12.9744","0.0012","5.1182","0.0005","12.7942","0.0013","90","","90","","90","","849.61","0.14","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","1,2,3-trimethoxybenzene","1,2,3-trimethoxybenzene","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0348","0.0318","","","0.0745","0.0765","","","","","","1.051","","","","has coordinates,has Fobs","251901","2020-10-21","18:00:00",""
"3500124","26.241","0.006","12.644","0.003","10.303","0.002","90","","90","","90","","3418.4","1.3","99","2","99","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl2 Cu N4 O14 -","- C6 H16 Cl2 Cu N4 O14 -","- C48 H128 Cl16 Cu8 N32 O112 -","8","2","","Noelia Santamaría; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.0347","0.0322","","","0.0751","0.0777","","","","","","1.054","","","","has coordinates,has Fobs","274736","2022-04-28","05:52:01",""
"3500132","10.7451","0.0005","14.031","0.0006","10.4824","0.0005","90","","90","","90","","1580.37","0.13","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","Diphenhydramine hydrochloride","N-(2-Diphenylmethoxyethyl)-N,N-dimethylamine hydrochloride","","- C17 H22 Cl N O -","- C17 H22 Cl N O -","- C68 H88 Cl4 N4 O4 -","4","1","","Thierry Maris","Diphenhydramine hydrochloride - Refinement using Spherical Atom-form-factors","Personal communication to COD","2022","","","","","","","x-ray","1.34139","GaKα","","0.0245","0.0236","","","0.059","0.0593","","","","","","1.082","","","","has coordinates,has Fobs","280062","2022-12-30","15:47:58",""
"4000072","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C104 H128 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.7107","MoKα","","0.1458","0.0703","","","0.19","0.2227","","","","","","0.936","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000073","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","- C56 H80 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0961","0.0452","","","0.0585","0.0627","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000295","6.5798","0.001","16.699","0.002","17.63","0.003","90","","90","","90","","1937.2","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H20.6 N2 O6.3 -","- C20 H20 N2 O6.3 -","- C80 H80 N8 O25.2 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm0340532","","","0.71073","MoKα","","0.0982","0.0468","","","0.0945","0.1159","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000486","13.27","0.002","6.629","0.001","10.866","0.001","90","","90","","90","","955.8","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- As F Fe H4 N O4 -","- As F Fe N O4 -","- As8 F8 Fe8 N8 O32 -","8","2","","Bazán, B.; Mesa, J.L.; Pizarro, J.L.; Rodríguez-Fernández, J.; Sánchez Marcos, J.; Roig, A.; Molins, E.; Arriortua, M.I.; Rojo, T.","Thermal transformation of (NH4)[Fe(AsO4F] Into The New Textural Porous Orthorhombic Fe(AsO4) Phase. Crystal Structures, Thermal Behavior, Spectroscopic and Magnetic Properties. CM040161S","Chemistry of Materials","2004","","","","","10.1021/cm040161s","","","0.71073","MoKα","","0.0257","0.0219","","","0.0543","0.0555","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000571","22.447","0.002","10.947","0.0012","14.6431","0.0015","90","","90","","90","","3598.2","0.6","173","2","","","","","","","","","","7","P n a 21","P 2c -2n","33","","(G1)1:LiBETI","","- C8 H10 F10 Li N O6 S2 -","- C8 H10 F10 Li N O6 S2 -","- C64 H80 F80 Li8 N8 O48 S16 -","8","2","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000823","19.9092","0.0005","7.7405","0.0001","9.5638","0.0002","90","","90","","90","","1473.85","0.05","293","","293","","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C15 H20 N3 O3 -","- C15 H20 N3 O3 -","- C60 H80 N12 O12 -","4","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","0.71073","MoKα","","0.0495","0.0363","","","0.0924","0.0991","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001030","18.824","0.003","7.6306","0.0011","12.438","0.0018","90","","90","","90","","1786.6","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H16 Cl4 N4 Pt Se2 -","- C10 H16 Cl4 N4 Pt Se2 -","- C40 H64 Cl16 N16 Pt4 Se8 -","4","1","","Choi, Jaewon; Ko, Ju Hong; Jung, Il Gu; Yang, Hye Yun; Ko, Kyoung Chul; Lee, Jin Yong; Lee, Sang Moon; Kim, Hae Jin; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface","Chemistry of Materials","2009","21","13","2571","","10.1021/cm900802z","","","0.71073","MoKα","","0.0662","0.0406","","","0.0782","0.0868","","","","","","0.972","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001301","30.978","0.006","12.62","0.003","13.339","0.003","90","","90","","90","","5215","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H34 N14 O14 Zn4 -","- C38 H34 N14 O14 Zn4 -","- C152 H136 N56 O56 Zn16 -","4","1","","Park, Hyunsoo; Britten, James F.; Mueller, Ulrich; Lee, JeongYong; Li, Jing; Parise, John B.","Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal−Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid","Chemistry of Materials","2007","19","6","1302","","10.1021/cm0623918","","x-ray","0.49594","synchrotron","","0.117","0.1103","","","0.2743","0.2837","","","","","","1.236","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001564","20.0844","0.0019","7.9836","0.0008","13.0105","0.0012","90","","90","","90","","2086.2","0.3","466","2","466","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H13 Br2 N3 -","- C6 H13 Br2 N3 -","- C48 H104 Br16 N24 -","8","2","","Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.","Novel 〈110〉-Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties","Chemistry of Materials","2006","18","15","3463","","10.1021/cm060714u","","","0.71073","MoKα","","0.0399","0.0323","","","0.0724","0.074","","","","","","0.933","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001624","8.2084","0.0008","5.7718","0.0006","28.328","0.003","90","","90","","90","","1342.1","0.2","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H8 F5 N O2 S -","- C14 H8 F5 N O2 S -","- C56 H32 F20 N4 O8 S4 -","4","1","","Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro","Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds","Chemistry of Materials","2012","24","4","671","","10.1021/cm202650u","","","0.71075","MoKα","","","0.0786","","","","0.2467","","","","","","1.127","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001633","12.717","0.008","15.016","0.009","7.578","0.005","90","","90","","90","","1447.1","1.6","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng","Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster","Chemistry of Materials","2012","24","5","954","","10.1021/cm2029855","","","0.71073","MoKα","","0.1181","0.0462","","","0.1009","0.145","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001702","12.88625","0.00005","6.42081","0.00002","10.62842","0.00004","90","","90","","90","","879.397","0.005","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F2 K2 Ni2 O8 S2 -","- F2 K2 Ni2 O8 S2 -","- F8 K8 Ni8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","5.9665","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001703","13.05136","0.00003","6.496875","0.000017","10.71796","0.00003","90","","90","","90","","908.809","0.004","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Co2 F2 K2 O8 S2 -","- Co2 F2 K2 O8 S2 -","- Co8 F8 K8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","2.2305","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001704","13.15116","0.00003","6.539302","0.000014","10.86887","0.00003","90","","90","","90","","934.716","0.004","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F2 Fe2 K2 O8 S2 -","- F2 Fe2 K2 O8 S2 -","- F8 Fe8 K8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","2.637","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001720","12.534","","6.2939","","10.524","","90","","90","","90","","830.215","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Silver potassium oxotitanium phosphate (.9/.1/1/1)","","- Ag0.85 K0.15 O5 P Ti -","- Ag0.85 K0.15 O5 P Ti -","- Ag6.8 K1.2 O40 P8 Ti8 -","8","2","","Harrison, W.T.A.; Phillips, M.L.F.; Calabrese, J.C.; McCarron, E.M.; Stucky, G.D.; Gier, T.E.","Effects of Substitution Chemistry in the KTiOPO4 Structure Field","Chemistry of Materials (1,1989-)","1992","4","","222","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001952","15.2045","0.0008","13.901","0.0008","14.3104","0.0008","90","","90","","90","","3024.6","0.3","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","11253b","","","- C44 H32 -","- C44 H32 -","- C176 H128 -","4","1","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0635","0.0421","","","0.0861","0.0964","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002258","10.3369","","8.2125","","5.0074","","90","","90","","90","","425.087","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li (Al Si O4) (H2 O)","","- Al H2 Li O5 Si -","- Al Li O5 Si -","- Al4 Li4 O20 Si4 -","4","1","","Norby, P.; Hanson, J.C.; Fitch, A.N.; Vaughan, G.; Flaks, L.; Gualtieri, A.","Formation of alpha-eucryptite, Li Al Si O4: an in-situ synchrotron X-ray powder diffraction study of a high temperature hydrothermal synthesis","Chemistry of Materials (1,1989-)","2000","12","","1473","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002352","8.7173","","8.5889","","4.9673","","90","","90","","90","","371.912","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(N H4) Be (P O4)","","- Be H4 N O4 P -","- Be H4 N O4 P -","- Be4 H16 N4 O16 P4 -","4","1","","Zhang, H.-Y.; Zhao, D.-Y.; Shi, Z.; Chen, M.-Q.; Zhou, Y.-M.; Xu, X.; Bu Xianhui","Hydrothermal synthesis of new pure beryllophosphate molecular sieve phases from concentrated amines","Chemistry of Materials (1,1989-)","2001","13","","2042","2048","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4002371","5.95463","","5.60182","","8.38631","","90","","90","","90","","279.74","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Bi In O3 -","- Bi In O3 -","- Bi4 In4 O12 -","4","1","","Belik, A.A.; Takayama-Muromachi, E.; Lazoryak, B.I.; Stefanovich, S.Yu.","Bi In O3: a polar oxide with Gd Fe O3-type perovskite structure","Chemistry of Materials (1,1989-)","2006","18","","1964","1968","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002378","5.2706","","6.5206","","5.0706","","90","","90","","90","","174.264","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Mn Si N2","","- Mn N2 Si -","- Mn N2 Si -","- Mn4 N8 Si4 -","4","1","","Esmaeilzadeh, S.; Halenius, E.; Valldor, M.","Crystal growth, magnetic, and optical properties of the ternary nitride Mn Si N2","Chemistry of Materials (1,1989-)","2006","18","","2713","2718","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002383","5.085","","8.774","","9.468","","90","","90","","90","","422.422","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Fe2 O3 -","- Fe2 O3 -","- Fe16 O24 -","8","2","","Gich, M.; Frontera, C.; Ritter, C.; Roig, A.; Nogues, J.; Taboada, E.; Molins, E.; Macedo, W.A.A.; Ardisson, J.D.; Hardy, V.; Rechenberg, H.R.; Sort, J.; Skumryev, V.","High- and low-temperature crystal and magnetic structure of epsilon-Fe2 O3 and their correlation to its magnetic properties","Chemistry of Materials (1,1989-)","2007","18","","3889","3897","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002451","9.5736","0.0002","9.49","0.0002","13.1739","0.0003","90","","90","","90","","1196.89","0.04","298","","","","","","","","","","","4","P n a 21","P 2c -2n","33","Zirconium Magnesium Molybdate","","","- Mg Mo3 O12 Zr -","- Mg Mo3 O12 Zr -","- Mg4 Mo12 O48 Zr4 -","4","1","","Romao, Carl P.; Perras, Frédéric A.; Werner-Zwanziger, Ulrike; Lussier, Joey A.; Miller, Kimberly J.; Calahoo, Courtney M.; Zwanziger, Josef W.; Bieringer, Mario; Marinkovic, Bojan A.; Bryce, David L.; White, Mary Anne","Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties","Chemistry of Materials","2015","27","7","2633","2646","10.1021/acs.chemmater.5b00429","","x-ray","1.5406","CuKα~1~,Kα~2~","K-L~2,3~","","","","","","","","","","","","","","","","has coordinates","152692","2020-10-21","18:00:00",""
"4002654","12.82","0.0003","6.39516","0.00014","10.61151","0.00017","90","","90","","90","","869.99","0.03","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F K O4 P V -","- F K O4 P V -","- F8 K8 O32 P8 V8 -","8","2","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","powder diffraction","x-ray","1.5418","CuKa","","0.0319","0.0271","","0.0304","0.0281","","","","1.51","","","","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002867","14.87","0.008","13.8","0.008","12.445","0.006","90","","90","","90","","2554","2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Rb4Ge4Se12","","","- Ge4 Rb4 Se12 -","- Ge4 Rb4 Se12 -","- Ge16 Rb16 Se48 -","4","1","","Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun","Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs)","Chemistry of Materials","2017","29","21","9200","","10.1021/acs.chemmater.7b03046","","","0.71073","MoKα","","0.068","0.0473","","","0.0938","0.1038","","","","","","1.054","","","","has coordinates","203984","2020-10-21","18:00:00",""
"4002868","15.193","0.006","13.944","0.005","12.845","0.005","90","","90","","90","","2721.2","1.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cs4Ge4Se12","","","- Cs4 Ge4 Se12 -","- Cs4 Ge4 Se12 -","- Cs16 Ge16 Se48 -","4","1","","Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun","Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs)","Chemistry of Materials","2017","29","21","9200","","10.1021/acs.chemmater.7b03046","","","0.71073","MoKα","","0.055","0.0388","","","0.0767","0.0831","","","","","","1.002","","","","has coordinates","203984","2020-10-21","18:00:00",""
"4002888","10.8675","0.0008","5.1633","0.0004","7.3072","0.0005","90","","90","","90","","410.02","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cr O6 W Y -","- Cr O6 W Y -","- Cr4 O24 W4 Y4 -","4","1","","Kim, Sun Woo; Emge, Thomas J.; Deng, Zheng; Uppuluri, Ritesh; Collins, Liam; Lapidus, Saul H.; Segre, Carlo U.; Croft, Mark; Jin, Changqing; Gopalan, Venkatraman; Kalinin, Sergei V.; Greenblatt, Martha","YCrWO6: Polar and Magnetic Oxide with CaTa2O6-Related Structure","Chemistry of Materials","2018","30","3","1045","","10.1021/acs.chemmater.7b04941","","","0.71073","MoKα","","0.0211","0.02","","","0.0417","0.042","","","","","","1.114","","","","has coordinates","227516","2020-10-21","18:00:00",""
"4002905","10.057","0.002","21.376","0.003","6.58","0.007","90","","90","","90","","1414.6","1.5","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H12 I4 N2 Pb -","- C4 H12 I4 N2 Pb -","- C16 H48 I16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0377","0.0304","","","0.0402","0.041","","","","1.44","1.44","1.36","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002944","7.789","0.004","10.221","0.006","7.344","0.004","90","","90","","90","","584.7","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- H4 I Mo N O6 -","- H4 I Mo N O6 -","- H16 I4 Mo4 N4 O24 -","4","1","","Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie","Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses","Chemistry of Materials","2019","31","8","2992","","10.1021/acs.chemmater.9b00521","","","0.71073","MoKα","","0.0292","0.0275","","","0.0592","0.06","","","","","","1.063","","","","has coordinates","220368","2020-10-21","18:00:00",""
"4002983","32.082","0.003","8.3226","0.0006","10.4238","0.0008","90","","90","","90","","2783.2","0.4","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C2 H12 Br4 N6 Sn -","- C2 H12 Br4 N6 Sn -","- C16 H96 Br32 N48 Sn8 -","8","2","","Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Wörle, Michael; Benin, Bogdan M.; Rainò, Gabriele; Krumeich, Frank; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Kovalenko, Maksym V.","Guanidinium and Mixed Cesium-Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting.","Chemistry of materials : a publication of the American Chemical Society","2019","31","6","2121","2129","10.1021/acs.chemmater.9b00038","","x-ray","0.71073","MoKα","","0.0574","0.0348","","","0.0674","0.0738","","","","","","1.013","","","","has coordinates","220407","2020-10-21","18:00:00",""
"4003049","18.3099","0.0004","10.9142","0.0003","8.4635","0.0002","90","","90","","90","","1691.33","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi I5 N2 -","- C4 H14 Bi I5 N2 -","- C16 H56 Bi4 I20 N8 -","4","1","","Tao, Kewen; Li, Yaobin; Ji, Chengmin; Liu, Xitao; Wu, Zhenyue; Han, Shiguo; Sun, Zhihua; Luo, Junhua","A Lead-Free Hybrid Iodide with Quantitative Response to X-ray Radiation","Chemistry of Materials","2019","31","15","5927","","10.1021/acs.chemmater.9b02263","","","0.71073","MoKα","","0.0704","0.0664","","","0.1737","0.1775","","","","","","1.094","","","","has coordinates","220468","2020-10-21","18:00:00",""
"4003068","9.8897","0.001","31.038","0.003","9.657","0.0009","90","","90","","90","","2964.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 Br4 Cd N2 -","- C24 H40 Br4 Cd N2 -","- C96 H160 Br16 Cd4 N8 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0694","0.0573","","","0.1363","0.1454","","","","","","1.051","","","","has coordinates","220487","2020-10-21","18:00:00",""
"4003297","15.877","0.005","8.568","0.005","23.078","0.005","90","0.005","90","0.005","90","0.005","3139","2","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 Br3 N Sn -","- C3 Br3 N Sn -","- C36 Br36 N12 Sn12 -","12","3","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0735","0.0389","","","0.084","0.0929","","","","","","1.134","","","","has coordinates","231501","2020-10-21","18:00:00",""
"4003352","9.2171","","10.027","","6.9348","","90","","90","","90","","640.913","","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B3 Cs O7 Si -","- B3 Cs O7 Si -","- B12 Cs4 O28 Si4 -","4","1","","Zhou, Zhengyang; Qiu, Yi; Liang, Fei; Palatinus, Lukáš; Poupon, Morgane; Yang, Tao; Cong, Rihong; Lin, Zheshuai; Sun, Junliang","CsSiB3O7: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Discovered by the Combination of Electron Diffraction and First-Principles Calculations","Chemistry of Materials","2018","30","7","2203","","10.1021/acs.chemmater.8b00545","","electron","0.0335","electron","","0.104","0.0961","","","0.102","0.1024","","","","4.56","4.56","4.34","","","","has coordinates","231528","2020-10-21","18:00:00",""
"4003367","18.105","0.0008","15.7555","0.0006","16.6214","0.0006","90","","90","","90","","4741.3","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","CLE13","","","- C24 H40 Cl16 N8 Pb4 -","- C24 H40 Cl16 N8 Pb4 -","- C96 H160 Cl64 N32 Pb16 -","4","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","","0.024","0.0196","","","0.039","0.0402","","","","","","1.022","","","","has coordinates","231541","2020-10-21","18:00:00",""
"4003377","7.9516","0.0007","11.3364","0.001","6.0351","0.0006","90","","90","","90","","544.02","0.09","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Zhang, Bingbing; Han, Guopeng; Wang, Ying; Chen, Xinglong; Yang, Zhihua; Pan, Shilie","Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates","Chemistry of Materials","2018","30","15","5397","","10.1021/acs.chemmater.8b02223","","","0.71073","MoKα","","0.0749","0.0693","","","0.1763","0.1862","","","","","","0.888","","","","has coordinates","231551","2020-10-21","18:00:00",""
"4003382","7.9407","0.0007","11.3362","0.001","6.0308","0.0004","90","","90","","90","","542.88","0.08","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming","Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2018","30","21","7823","","10.1021/acs.chemmater.8b03310","","","0.71073","MoKα","","0.0524","0.0437","","","0.0843","0.0878","","","","","","1.146","","","","has coordinates","231556","2020-10-21","18:00:00",""
"4003539","19.7678","0.0016","30.778","0.002","5.8368","0.0005","90","","90","","90","","3551.2","0.5","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H15 N O Te -","- C23 H15 N O Te -","- C184 H120 N8 O8 Te8 -","8","2","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0563","0.0392","","","0.0973","0.1043","","","","","","1.077","","","","has coordinates","251500","2020-10-21","18:00:00",""
"4003616","18.4735","0.0004","10.151","0.0002","19.3448","0.0004","90","","90","","90","","3627.62","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H51 Cl2 Cu N2 -","- C41 H51 Cl2 Cu N2 -","- C164 H204 Cl8 Cu4 N8 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.073","0.0541","","","0.129","0.1368","","","","","","1.031","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003667","13.0676","0.0002","7.8387","0.0001","6.2164","0.0001","90","","90","","90","","636.764","0.016","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ge Li2 S4 Zn -","- Ge Li2 S4 Zn -","- Ge4 Li8 S16 Zn4 -","4","1","","Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Rosmus, Kimberly A.; Grima, Pedro; Lekse, Jonathan W.; Jang, Joon I.; Aitken, Jennifer A.","α-Li2ZnGeS4: A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02929","","","0.71073","MoKα","","0.0394","0.0381","","","0.096","0.0977","","","","","","1.065","","","","has coordinates","255836","2020-10-21","18:00:00",""
"4003687","16.79","0.002","8.0795","0.0011","7.7649","0.0011","90","","90","","90","","1053.3","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.0126","0.0124","","","0.0299","0.0299","","","","","","1.082","","","","has coordinates","256742","2020-10-21","18:00:00",""
"4003688","6.741","0.016","16.67","0.04","9.65","0.02","90","","90","","90","","1084","4","363","2","363","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.2715","0.0976","","","0.2399","0.343","","","","","","1.005","","","","has coordinates,has disorder","256743","2020-10-21","18:00:00",""
"4003689","16.942","0.004","8.202","0.002","7.811","0.002","90","","90","","90","","1085.4","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.0178","0.0169","","","0.0376","0.0382","","","","","","1.153","","","","has coordinates","256744","2020-10-21","18:00:00",""
"4003881","6.137","0.004","7.394","0.005","5.94","0.004","90","","90","","90","","269.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cl N Zn2 -","- Cl N Zn2 -","- Cl4 N4 Zn8 -","4","1","","Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning","Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials","Chemistry of Materials","2021","33","4","1462","1470","10.1021/acs.chemmater.0c04772","","","0.71073","MoKα","","0.0267","0.0253","","","0.0573","0.0578","","","","","","1.111","","","","has coordinates","262419","2021-03-03","23:21:51",""
"4003882","6.222","0.007","7.65","0.008","6.094","0.007","90","","90","","90","","290.1","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Br N Zn2 -","- Br N Zn2 -","- Br4 N4 Zn8 -","4","1","","Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning","Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials","Chemistry of Materials","2021","33","4","1462","1470","10.1021/acs.chemmater.0c04772","","","0.71073","MoKα","","0.0319","0.0302","","","0.066","0.0667","","","","","","1.016","","","","has coordinates","262420","2021-03-03","23:22:13",""
"4003883","10.5204","0.0008","6.0756","0.0004","9.953","0.0007","90","","90","","90","","636.17","0.08","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cl2 Li6 O4 Si -","- Cl2 Li6 O4 Si -","- Cl8 Li24 O16 Si4 -","4","1","","Morscher, Alexandra; Dyer, Matthew S.; Duff, Benjamin B.; Han, Guopeng; Gamon, Jacinthe; Daniels, Luke M.; Dang, Yun; Surta, T. Wesley; Robertson, Craig M.; Blanc, Frédéric; Claridge, John B.; Rosseinsky, Matthew J.","Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking","Chemistry of Materials","2021","33","6","2206","2217","10.1021/acs.chemmater.1c00157","","x-ray","0.71073","MoKα","","0.075","0.053","","","0.1189","0.1279","","","","","","1.11","","","","has coordinates","263594","2021-04-04","10:00:50",""
"4003917","8.0451","0.0008","6.8485","0.0005","11.7325","0.001","90","","90","","90","","646.42","0.1","100.01","0.15","100.01","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ce F2 I2 O6 -","- Ce F2 I2 O6 -","- Ce4 F8 I8 O24 -","4","1","","Zhang, Xiao-Han; Yang, Bing-Ping; Hu, Chun-Li; Chen, Jin; Huang, Qian-Ming; Mao, Jiang-Gao","A New Anhydrous Polar Rare-Earth Iodate Fluoride, Ce(IO3)2F2, Exhibiting a Large Second-Harmonic-Generation Effect and Improved Overall Performance","Chemistry of Materials","2021","33","8","2894","2900","10.1021/acs.chemmater.1c00222","","x-ray","0.71073","MoKα","","0.0306","0.0291","","","0.0632","0.0644","","","","","","1.046","","","","has coordinates","264803","2021-05-03","20:59:35",""
"4020059","17.2915","0.0015","10.6152","0.0008","5.8951","0.0004","90","","90","","90","","1082.06","0.14","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","1","","Guindon, Yvan; Brigitte Guérin; Cardinal-David, Benoit","Structure of GUIN23","Journal of Organic Chemistry","2005","70","","776","784","10.1021/jo048687j","","","1.54178","CuKα","","0.0853","0.0743","","","0.2162","0.2277","","","","","","1.073","","","","has coordinates","201926","2020-10-21","18:00:00",""
"4020062","15.9446","0.0012","16.674","0.0013","6.3663","0.0005","90","","90","","90","","1692.5","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 Cl2 N O -","- C17 H21 Cl2 N O -","- C68 H84 Cl8 N4 O4 -","4","1","","Yu-Gui Si; Song-Po Guo; Wan-Jun Wang; Biao Jiang","","Journal of Organic Chemistry","2005","70","","1494","1496","10.1021/jo048101t","","","0.71073","MoKα","","0.0552","0.0422","","","0.0885","0.0933","","","","","","0.952","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020080","17.2682","0.0007","14.3146","0.0005","25.106","0.001","90","","90","","90","","6205.9","0.4","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C67.5 H77.25 N1.75 O12 -","- C67.5 H77.25 N1.75 O12 -","- C270 H309 N7 O48 -","4","1","","Anh Huu Tran; David O. Miller; Paris E. Georghiou","","Journal of Organic Chemistry","2005","70","","1115","1121","10.1021/jo0484427","","","0.71073","MoKα","","0.0476","0.0395","","","0.1053","0.111","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020126","10.5641","0.0003","15.7433","0.0005","8.3622","0.0002","90","","90","","90","","1390.75","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0453","0.0352","","","0.0765","0.0806","","","","","","1.038","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020135","15.4047","0.0009","8.272","0.0005","15.9411","0.0009","90","","90","","90","","2031.3","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Kay M. Brummond; Dennis P. Curran; Branko Mitasev; Stefan Fischer","","Journal of Organic Chemistry","2005","70","","1745","1753","10.1021/jo0481607","","","0.71073","MoKα","","0.1158","0.0704","","","0.1252","0.1393","","","","","","1.089","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020164","34.3241","0.0015","18.0281","0.0008","18.0481","0.0008","90","","90","","90","","11168.1","0.9","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C128 H134 N4 O25 Pd -","- C128 H134 N4 O25 Pd -","- C512 H536 N16 O100 Pd4 -","4","1","","Olga S. Finikova; Sergei E. Aleshchenkov; Raymond P. Brinas; Andrei V. Cheprakov; Patrick J. Carroll; Sergei A. Vinogradov","","Journal of Organic Chemistry","2005","70","","4617","4628","10.1021/jo047741t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020245","17.79","0.004","7.9794","0.0016","22.872","0.005","90","","90","","90","","3246.8","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H28 Br2 Cl2 O10 -","- C30 H28 Br2 Cl2 O10 -","- C120 H112 Br8 Cl8 O40 -","4","1","","Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn","","Journal of Organic Chemistry","2005","70","","4840","4846","10.1021/jo0501792","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020460","8.9454","0.0001","10.6027","0.0002","22.6236","0.0003","90","","90","","90","","2145.74","0.05","213","2","213","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H12 Br4 O8 -","- C19.995 H12 Br4 O7.995 -","- C79.98 H48 Br16 O31.98 -","4","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020514","9.164","0.002","13.079","0.004","34.4","0.009","90","","90","","90","","4122.8","1.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H28 O Si -","- C22 H28 O Si -","- C176 H224 O8 Si8 -","8","2","","Asunción Barbero; Yolanda Blanco; Francisco J. Pulido","Silylcuprates from Allene and Their Reaction with α,β-Unsaturated Nitriles and Imines. Synthesis of Silylated Oxo Compounds Leading to Cyclopentane and Cycloheptane Ring Formation","Journal of Organic Chemistry","2005","70","","6876","6883","10.1021/jo0509814","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020536","19.7076","0.0011","14.2272","0.0008","23.536","0.0013","90","","90","","90","","6599.1","0.6","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C56 H68 I4 O24 -","- C56 H68 I4 O24 -","- C224 H272 I16 O96 -","4","1","","Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski","Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure","Journal of Organic Chemistry","2005","70","","6484","6491","10.1021/jo051010r","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020567","19.1888","0.0003","10.3555","0.0002","13.0681","0.0001","90","","90","","90","","2596.76","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020581","18.052","0.003","5.7905","0.0009","10.1108","0.0017","90","","90","","90","","1056.9","0.3","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","9d","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Alan R. Katritzky; Ashraf A. A. Abdel-Fattah; Anna V. Gromova; Rachel Witek; Peter J. Steel","α-Nitro Ketone Synthesis Using N-Acylbenzotriazoles","Journal of Organic Chemistry","2005","70","","9211","9214","10.1021/jo051231x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020665","15.511","0.0005","10.2182","0.0003","16.1676","0.0005","90","","90","","90","","2562.48","0.14","140","1","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H11 B F15 N O -","- C28 H11 B F15 N O -","- C112 H44 B4 F60 N4 O4 -","4","1","","Priyadarshine Hewavitharanage; Evgeny O. Danilov; Douglas C. Neckers","Pentafluorophenyl Transfer: A New Group-Transfer Reaction in Organoborate Salts","Journal of Organic Chemistry","2005","70","","10653","10659","10.1021/jo050695s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020687","12.337","0.004","9.686","0.003","31.46","0.01","90","","90","","90","","3760","2","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H14 F6 O2 -","- C23 H14 F6 O2 -","- C184 H112 F48 O16 -","8","2","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020781","7.2803","0.0004","26.718","0.002","8.572","0.0005","90","","90","","90","","1667.4","0.2","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 Br2 O5 -","- C16 H16 Br2 O5 -","- C64 H64 Br8 O20 -","4","1","","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",""
"4021269","15.9305","0.0012","7.2465","0.0006","28.317","0.002","90","","90","","90","","3268.9","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H17 F O Si -","- C20 H17 F O Si -","- C160 H136 F8 O8 Si8 -","8","2","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021293","17.61","0.02","9.93","0.01","8.376","0.009","89","","89","","90","","1463","2","296.1","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021339","20.073","0.003","7.843","0.001","7.27","0.001","90","","90","","90","","1144.6","0.3","123.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H16 B10 -","- C5 H16 B10 -","- C20 H64 B40 -","4","1","","Motonori Tsuji","Most Stable Conformation of the Cyclopropane Ring Attached at a Carbon Atom in a 1,2-Dicarba-closo-dodecaborane(12) System","Journal of Organic Chemistry","2004","69","","4063","4074","10.1021/jo049854i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021391","12.3588","0.0013","14.3481","0.0016","7.4226","0.0008","90","","90","","90","","1316.2","0.2","90","2","90","2","","","","","","","","2","P n a 21","P 2c -2n","33","2'-methyl-p-terphenyl","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","","Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey","Studies of the Condensation of Sulfones with Ketones and Aldehydes","Journal of Organic Chemistry","2006","71","","553","556","10.1021/jo051947s","","","0.71073","MoKα","","0.0943","0.0658","","","0.1658","0.1879","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021443","18.873","0.002","12.336","0.001","6.7665","0.0007","90","","90","","90","","1575.4","0.3","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","8-styrylfluoranthrene","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","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","","0.0405","0.0367","","","0.0901","0.0925","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021446","20.673","0.002","10.939","0.001","7.5738","0.0008","90","","90","","90","","1712.8","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","p-nitrostyrylpyrene","1-[2-(4-nitrophenyl)vinyl]pyrene","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C96 H60 N4 O8 -","4","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","","0.0541","0.0408","","","0.0931","0.0995","","","","","","1.041","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021476","12.837","0.002","22.303","0.002","13.85","0.001","90","","90","","90","","3965.3","0.8","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cu N8 O5 S2 -","- C34 H48 Cu N9 O6 S2 -","- C136 H192 Cu4 N36 O24 S8 -","4","1","","Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders","Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides","Journal of Organic Chemistry","2006","71","","1399","1406","10.1021/jo052056n","","","0.71073","MoKα","","0.054","0.0357","","","0.0916","0.0992","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4021533","9.37","0.0004","13.6508","0.0006","9.424","0.0004","90","","90","","90","","1205.4","0.09","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","noe.mom","noe.mom","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C40 H68 N4 O20 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.1118","0.0582","","","0.1286","0.1503","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021555","7.4665","0.0002","14.5957","0.0004","16.4508","0.0005","90","","90","","90","","1792.79","0.09","183","2","183","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C80 H80 N8 O4 S4 -","4","1","","Esen Bellur; Helmar Görls; Peter Langer","Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines","Journal of Organic Chemistry","2006","71","","2332","2338","10.1021/jo052450l","","","0.71073","MoKα","","0.0515","0.0423","","","0.1018","0.1083","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4021575","22.9793","0.0017","5.2856","0.0004","34.382","0.003","90","","90","","90","","4176.1","0.5","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C216 H168 N24 O16 -","8","2","","Lori I. Robins; Richard D. Carpenter; James C. Fettinger; Makhluf J. Haddadin; Dino S. Tinti; Mark J. Kurth","Diazocinones: Synthesis and Conformational Analysis","Journal of Organic Chemistry","2006","71","","2480","2485","10.1021/jo052577a","","","0.71073","MoKα","","0.0702","0.0496","","","0.1072","0.1161","","","","","","1.011","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021751","8.6992","0.0003","6.3159","0.0002","39.6797","0.0015","90","","90","","90","","2180.13","0.13","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","2","","Fatiah Issa; Joshua Fischer; Peter Turner; Mark J. Coster","Regioselective Reduction of 3-Methoxymaleimides: An Efficient Method for the Synthesis of Methyl 5-Hydroxytetramates","Journal of Organic Chemistry","2006","71","","4703","4705","10.1021/jo0605750","","","0.71073","MoKα","","0.052","0.0365","","","0.0678","0.0689","","","","","","1.184","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021883","15.461","0.003","19.71","0.004","5.7408","0.0011","90","","90","","90","","1749.4","0.6","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 O4 P -","- C21 H19 O4 P -","- C84 H76 O16 P4 -","4","1","","Babak Kaboudin; Hamideh Haghighat; Tsutomu Yokomatsu","A Novel Method for the Separation of Bis(α-hydroxyalkyl)phosphinic Acid Diastereoisomers via Formation of Novel Cyclic Phosphinic Acids","Journal of Organic Chemistry","2006","71","","6604","6606","10.1021/jo060547h","","","0.71073","MoKα","","0.0646","0.0415","","","0.0797","0.0874","","","","","","1.025","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021904","32.441","0.001","15.9505","0.0005","9.9787","0.0003","90","","90","","90","","5163.5","0.3","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H34 Cr O5 Si -","- C26 H34 Cr O5 Si -","- C208 H272 Cr8 O40 Si8 -","8","2","","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","","0.0345","0.0292","","","0.0717","0.075","","","","","","1.039","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021947","15.706","0.005","8.93","0.003","12.969","0.005","90","","90","","90","","1818.8","1.1","173.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","","Nitin T. Patil; Zhibao Huo; Yoshinori Yamamoto","Palladium-Catalyzed Decarboxylative Aza-Michael Addition-Allylation Reactions between Allyl Carbamates and Activated Olefins. Generation of Quaternary Carbon Adjacent to Secondary Amine Carbon Center","Journal of Organic Chemistry","2006","71","","6991","6995","10.1021/jo061110c","","","0.7107","MoKα","","","0.0264","","","","0.0595","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022109","11.811","0.003","6.0445","0.0014","20.369","0.005","90","","90","","90","","1454.1","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 O4 P -","- C15 H19 O4 P -","- C60 H76 O16 P4 -","4","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","","0.043","0.0398","","","0.0919","0.0936","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022143","27.3232","0.0012","5.8054","0.0002","7.9936","0.0003","90","","90","","90","","1267.96","0.09","298","","","","","","","","","","zd3090","4","P n a 21","P 2c -2n","33","","","","- C14 H17 N2 O -","- C14 H17 N2 O -","- C56 H68 N8 O4 -","4","1","","Zeynep Delen; Paul M. Lahti","Crystallography and Magnetism of Two 1-(4-Nitroxylphenyl)pyrroles","Journal of Organic Chemistry","2006","71","","9341","9347","10.1021/jo0616299","","","0.71073","MoKα","","0.0613","0.0422","","","0.1022","0.114","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022161","16.0467","0.0002","10.571","0.0001","22.3993","0.0002","90","","90","","90","","3799.59","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 Br2 N4 O5 -","- C16 H18 Br2 N4 O5 -","- C128 H144 Br16 N32 O40 -","8","2","","Michael Zöllinger; Peter Mayer; Thomas Lindel","Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation","Journal of Organic Chemistry","2006","71","","9431","9439","10.1021/jo061813u","","","0.71073","MoKα","","0.0375","0.0304","","","0.0665","0.0697","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022236","23.1491","0.0002","8.7724","0.0001","18.7677","0.0002","90","","90","","90","","3811.22","0.07","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H38 N2 O10 S2 -","- C42 H38 N2 O10 S2 -","- C168 H152 N8 O40 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0725","0.0575","","0.1216","0.1154","","","","1.152","1.193","1.193","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022243","10.7933","0.0009","26.35","0.002","16.7931","0.0014","90","","90","","90","","4776.1","0.7","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46 H54 N10 O12 -","- C46.02 H54.05 N10 O12 -","- C184.08 H216.2 N40 O48 -","4","1","","Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs","Methylene-Bridged Glycoluril Dimers: Synthetic Methods","Journal of Organic Chemistry","2002","67","","5817","5830","10.1021/jo0258958","","","0.71073","MoKα","","0.0586","0.0422","","","0.1078","0.1189","","","","","","1.065","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022250","8.5477","0.0005","11.2039","0.0008","13.772","0.0012","90","","90","","90","","1318.91","0.17","173","1","173","1","","","","","","","see text","4","P n a 21","P 2c -2n","33","","","","- C14 H14 O4 S -","- C14 H14 O4 S -","- C56 H56 O16 S4 -","4","1","","Wolfgang Pitsch; Michael Klein; Manfred Zabel; Burkhard König","Synthesis and Structure of a Stabilized 10-Membered Cyclic Enediyne","Journal of Organic Chemistry","2002","67","","6805","6807","10.1021/jo025998q","","","0.71073","MoKα","","0.0343","0.032","","","0.0778","0.0789","","","","","","1.052","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022271","8.354","0.002","18.62","0.007","6.798","0.004","89","","89","","90","","1057","1","20","","20","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","?","- C36 H60 I4 O8 -","- C36 H60 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.036","","","0.042","","","","","1.66","1.66","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022304","18.615","0.002","7.5693","0.0008","28.852","0.003","90","","90","","90","","4065.3","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H58 N2 O10 S2 -","- C44 H58 N2 O10 S2 -","- C176 H232 N8 O40 S8 -","4","1","","Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure","A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence","Journal of Organic Chemistry","2003","68","","929","941","10.1021/jo026471g","","","0.71073","MoKα","","0.0721","0.0465","","","0.0966","0.1071","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022372","16.902","0.002","15.406","0.002","18.03","0.002","90","","90","","90","","4695.1","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 Co2 O7 -","- C24 H20 Co2 O7 -","- C192 H160 Co16 O56 -","8","2","","David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity","Investigation of a Stereoselective Co-Mediated Rearrangement Reaction","Journal of Organic Chemistry","2003","68","","4392","4399","10.1021/jo0300587","","","0.71073","MoKα","","0.1268","0.0474","","","0.0814","0.0976","","","","","","0.789","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022461","19.208","0.003","15.746","0.002","19.587","0.003","90","0.01","90","0.01","90","0.01","5924","1.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C67 H84 N4 O2 Ru -","- C67 H84 N4 O2 Ru -","- C268 H336 N16 O8 Ru4 -","4","1","","Jason A. Miller; Edward J. Hennessy; Will J. Marshall; Mark A. Scialdone; SonBinh T. Nguyen","trans-Cyclopropyl β-Amino Acid Derivatives via Asymmetric Cyclopropanation Using a (Salen)Ru(II) Catalyst","Journal of Organic Chemistry","2003","68","","7884","7886","10.1021/jo0344079","","","0.71073","MoKα","","0.0549","0.0404","","","0.1002","0.109","","","","","","1.035","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022470","14.265","0.004","17.596","0.005","8.679","0.003","90","","90","","90","","2178.4","1.2","571","2","571","2","","","","","","","","4","P n a 21","P 2c -2n","33","gs41","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Brant Boren; Jennifer S. Hirschi; Joseph H. Reibenspies; Matthew D. Tallant; Daniel A. Singleton; Gary A. Sulikowski","Exo-Selective Diels-Alder Reactions of Vinylazepines. Origin of Divergent Stereoselectivity in Diels-Alder Reactions of Vinylazepines, Vinylpiperideines, and Vinylcycloalkenes","Journal of Organic Chemistry","2003","68","","8991","8995","10.1021/jo034462h","","","0.71073","MoKα","","0.0617","0.0455","","","0.1095","0.1208","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022553","35.395","0.004","5.984","0.001","16.147","0.002","90","","90","","90","","3420","0.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Ethoxycarbonyl-3-(4-methylphenyl)-1H-indene-1-spirocyclopropane","","- C21 H20 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","2","","Andrea Cappelli; Gal.la Pericot Mohr; Maurizio Anzini; Salvatore Vomero; Alessandro Donati; Mario Casolaro; Raniero Mendichi; Gianluca Giorgi; Francesco Makovec","Synthesis and Characterization of a New Benzofulvene Polymer Showing a Thermoreversible Polymerization Behavior","Journal of Organic Chemistry","2003","68","","9473","9476","10.1021/jo035104h","","","0.71073","MoKα","","0.1519","0.063","","","0.1165","0.1514","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022558","19.0333","0.001","19.0258","0.0011","28.1843","0.0013","90","","90","","90","","10206.2","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C58 H65 I O5 -","- C58 H60.5 I O5 -","- C464 H484 I8 O40 -","8","2","","Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza","Unexpected Single-Step Formation of 1,2-anti-Heterodisubstituted Calix[4]arenes upon Alkylation of a Tribenzoyl Precursor","Journal of Organic Chemistry","2003","68","","8711","8714","10.1021/jo035150h","","","1.54178","CuKα","","0.1759","0.0696","","","0.1606","0.2082","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022645","17.549","0.002","6.9388","0.0009","21.924","0.003","90","","90","","90","","2669.7","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H38 N4 O2 -","- C30 H38 N4 O2 -","- C120 H152 N16 O8 -","4","1","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.1902","0.0507","","","0.0648","0.0939","","","","","","0.602","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022690","8.0839","0.0017","13.697","0.003","7.4042","0.0016","90","","90","","90","","819.8","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","try","","","- C7 H6 Cl2 N2 O -","- C7 H6 Cl2 N2 O -","- C28 H24 Cl8 N8 O4 -","4","1","","Jo Alen; Liliana Dobrzańska; Wim M. De Borggraeve; Frans Compernolle","Synthesis of 2(1H)-Pyrazinone Phosphonates via an Arbuzov-type Reaction","Journal of Organic Chemistry","2007","72","","1055","1057","10.1021/jo062176a","","","0.71073","MoKα","","0.0667","0.0586","","","0.1066","0.1094","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022797","16.262","0.002","10.0367","0.0014","7.5255","0.0009","90","","90","","90","","1228.3","0.3","158","2","158","2","","","","","","","","2","P n a 21","P 2c -2n","33","","1-(2-ethynyl-1-phenylcyclopropyl)benzene","","- C17 H14 -","- C17 H14 -","- C68 H56 -","4","1","","Michael Schmittel; Atul A. Mahajan; Götz Bucher; Jan W. Bats","Thermal C^2^-C^6^ Cyclization of Enyne-Allenes. Experimental Evidence for a Stepwise Mechanism and for an Unusual Thermal Silyl Shift","Journal of Organic Chemistry","2007","72","","2166","2173","10.1021/jo062448+","","","0.71073","MoKα","","0.0576","0.0423","","","0.0913","0.0989","","","","","","1.135","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022800","20.503","0.004","11.297","0.002","18.369","0.004","90","","90","","90","","4254.6","1.4","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H39 N5 P -","- C18 H39 N5 P -","- C144 H312 N40 P8 -","8","2","","Jesudoss V. Kingston; John G. Verkade","Synthesis and Characterization of R~2~PN=P(^i^BuNCH~2~CH~2~)~3~N: A New Bulky Electron-Rich Phosphine for Efficient Pd-Assisted Suzuki-Miyaura Cross-Coupling Reactions","Journal of Organic Chemistry","2007","72","","2816","2822","10.1021/jo062452l","","","0.71073","MoKα","","0.0405","0.0343","","","0.0895","0.095","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022897","13.7068","0.0018","7.4595","0.0008","38.371","0.005","90","","90","","90","","3923.3","0.8","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H21 B N2 O6 -","- C20 H21 B N2 O6 -","- C160 H168 B8 N16 O48 -","8","2","","Alexander Oehlke; Alexander A. Auer; Ina Jahre; Bernhard Walfort; Tobias Rüffer; Petra Zoufalá; Heinrich Lang; Stefan Spange","Nitro-Substituted Stilbeneboronate Pinacol Esters and Their Fluoro-Adducts. Fluoride Ion Induced Polarity Enhancement of Arylboronate Esters","Journal of Organic Chemistry","2007","72","","4328","4339","10.1021/jo070084v","","","1.54184","CuKα","","0.0371","0.0318","","","0.0775","0.0829","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023042","11.473","0.003","16.216","0.005","8.311","0.002","90","","90","","90","","1546.2","0.7","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H16 O -","- C21 H16 O -","- C84 H64 O4 -","4","1","","Yan-Chao Wu; Li Liu; Yu-Liang Liu; Dong Wang; Yong-Jun Chen","TFA-Mediated Tandem Friedel-Crafts Alkylation/Cyclization/Hydrogen Transfer Process for the Synthesis of Flavylium Compounds","Journal of Organic Chemistry","2007","72","","9383","9386","10.1021/jo7015604","","","0.71073","MoKα","","0.0987","0.0426","","","0.0771","0.0952","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023054","39.056","0.0018","12.115","0.0005","11.669","0.0005","90","","90","","90","","5521.3","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H30 N O P -","- C35 H30 N O P -","- C280 H240 N8 O8 P8 -","8","2","","Gloria Ruiz-Gómez; María José Iglesias; Manuel Serrano-Ruiz; Fernando López-Ortiz","Dearomatizing Anionic Cyclization of N-Alkyl-N-benzyl(dinaphthyl)phosphinamides. A Facile Route to γ-(Amino)dihydronaphthalenylphosphinic Acids","Journal of Organic Chemistry","2007","72","","9704","9712","10.1021/jo701607s","","","0.71069","MoKα","","0.1155","0.0484","","","0.0853","0.1221","","","","","","0.835","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023095","19.9518","0.0016","12.7312","0.001","8.8934","0.0007","90","","90","","90","","2259","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C96 H124 N4 O16 -","4","1","","Anne-Marie L. Hogan; Donal F. O'Shea","Carbolithiation of o-Amino-(E)-Stilbenes: Diastereoselective Electrophile Substitution with Applications to Quinoline Synthesis","Journal of Organic Chemistry","2007","72","","9557","9571","10.1021/jo7017679","","","0.71073","MoKα","","0.045","0.042","","","0.1014","0.1033","","","","","","1.04","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023127","22.0101","0.0006","6.2216","0.0002","9.5931","0.0003","90","","90","","90","","1313.66","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C12 H23 N O2 S -","- C12 H23 N O2 S -","- C48 H92 N4 O8 S4 -","4","1","","David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward","Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines","Journal of Organic Chemistry","2007","72","","10009","10021","10.1021/jo701901t","","","0.71073","MoKα","","0.0425","0.03","","0.0458","0.0309","0.0309","","","","","","1.1147","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023140","8.169","0.001","12.543","0.002","14.364","0.002","90","","90","","90","","1471.9","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H10 Cl I N2 Pt -","- C16 H10 Cl I N2 Pt -","- C64 H40 Cl4 I4 N8 Pt4 -","4","1","","Stéphane Diring; Pascal Retailleau; Raymond Ziessel","A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway","Journal of Organic Chemistry","2007","72","","10181","10193","10.1021/jo7019866","","","0.7107","MoKα","","0.0513","0.0302","","","0.0725","0.0842","","","","","","1.091","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023166","10.448","0.003","6.5388","0.0015","10.263","0.002","90","","90","","90","","701.1","0.3","130","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.043","0.0414","","","0.097","0.0979","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023220","12.024","0.002","10.6931","0.0015","7.1249","0.001","90","","90","","90","","916.1","0.3","180","2","180","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald","Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions","Journal of Organic Chemistry","2008","73","","813","819","10.1021/jo7014054","","","0.71073","MoKα","","0.0277","0.0263","","","0.048","0.048","","","","","","2.598","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023495","11.5718","0.0016","15.192","0.002","9.5817","0.0015","90","","90","","90","","1684.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H20 Cl N5 O6 -","- C13 H20 Cl N5 O6 -","- C52 H80 Cl4 N20 O24 -","4","1","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.1526","0.0864","","","0.237","0.28","","","","","","0.859","","","","has coordinates,has disorder","178413","2020-10-21","18:00:00",""
"4023554","15.618","0.002","8.3232","0.0013","11.3913","0.0018","90","","90","","90","","1480.8","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Thong X. Nguyen; Yoshihisa Kobayashi","Synthesis of the Common Propellane Core Structure of the Hasubanan Alkaloids","Journal of Organic Chemistry","2008","73","","5536","5541","10.1021/jo800793s","","","0.71073","MoKα","","0.0485","0.0458","","","0.1058","0.1079","","","","","","1.055","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023556","10.5803","0.0014","23.761","0.003","4.9298","0.0007","90","","90","","90","","1239.3","0.3","113","2","113","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C72 H48 O12 -","4","1","","Wen-Zhi Xu; Zhi-Tang Huang; Qi-Yu Zheng","Synthesis of Benzo[c]xanthones from 2-Benzylidene-1-tetralones by the Ultraviolet Radiation-Mediated Tandem Reaction","Journal of Organic Chemistry","2008","73","","5606","5608","10.1021/jo8008929","","","0.7107","MoKα","","0.0467","0.0439","","","0.1097","0.1114","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023675","36.414","0.002","9.7931","0.0005","35.3214","0.0019","90","","90","","90","","12595.7","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C127 H152 Cl7.5 O6 -","- C128 H152 Cl7.5 O6 -","- C512 H608 Cl30 O24 -","4","1","","Katerina Kogan; Ishay Columbus; Silvio E. Biali","Functionalization of the Methylene Bridges of the Calix[6]arene Scaffold","Journal of Organic Chemistry","2008","73","","7327","7335","10.1021/jo801187z","","","0.71073","MoKα","","0.2048","0.1968","","","0.4536","0.4619","","","","","","1.808","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023692","15.319","0.012","6.623","0.005","26.55","0.02","90","","90","","90","","2694","4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H22 Cl2 Fe2 O10 -","- C22.93 H21.86 Cl1.86 Fe2 O10 -","- C91.72 H87.44 Cl7.44 Fe8 O40 -","4","1","","Rajesh K. Pandey; Lizhu Wang; Nathaniel J. Wallock; Sergey Lindeman; William A. Donaldson","Reactivity of (2-Alkenyl-3-pentene-1,5-diyl)iron Complexes: Preparation of Functionalized Vinylcyclopropanes and Cycloheptadienes","Journal of Organic Chemistry","2008","73","","7236","7245","10.1021/jo801446q","","","0.71073","MoKα","","0.0973","0.0708","","","0.1743","0.1908","","","","","","1.03","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4023721","16.5665","0.0014","5.8536","0.0005","35.113","0.003","90","","90","","90","","3405.1","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H20 Br N O7 -","- C17 H20 Br N O7 -","- C136 H160 Br8 N8 O56 -","8","2","","Joshua G. Pierce; Dhanalakshmi Kasi; Makoto Fushimi; Anthony Cuzzupe; Peter Wipf","Synthesis of Hydroxylated Bicyclic Amino Acids from L-Tyrosine: Octahydro-1H-indole Carboxylates","Journal of Organic Chemistry","2008","73","","7807","7810","10.1021/jo801552j","","","0.71073","MoKα","","0.0984","0.0571","","","0.1193","0.1386","","","","","","0.992","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023730","19.0535","0.0016","9.9527","0.0008","10.6887","0.0009","90","","90","","90","","2026.9","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H17 I2 O P -","- C21 H17 I2 O P -","- C84 H68 I8 O4 P4 -","4","1","","Hao Guo; Rong Qian; Yinlong Guo; Shengming Ma","Neighboring Group Participation of Phosphine Oxide Functionality in the Highly Regio- and Stereoselective Iodohydroxylation of 1,2-Allenylic Diphenyl Phosphine Oxides","Journal of Organic Chemistry","2008","73","","7934","7938","10.1021/jo8013462","","","0.71073","MoKα","","0.0571","0.0462","","","0.1048","0.1097","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023775","34.451","0.009","19.752","0.005","7.442","0.002","90","","90","","90","","5064","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H27.33 N2 O1.67 S2 -","- C15 H26 N2 O1.66667 S2 -","- C180 H312 N24 O20 S24 -","12","3","","Shamim Ahmed; Luke A. Baker; Richard S. Grainger; Paolo Innocenti; Camilo E. Quevedo","Thermal Elimination of Diethyldithiocarbamates and Application in the Synthesis of (±)-Ferrugine","Journal of Organic Chemistry","2008","73","","8116","8119","10.1021/jo801652x","","","1.54178","CuKα","","0.2111","0.1498","","","0.3628","0.4202","","","","","","1.354","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023880","18.069","0.004","5.9249","0.0014","9.399","0.002","90","","90","","90","","1006.3","0.4","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H13 N S -","- C11 H13 N S -","- C44 H52 N4 S4 -","4","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","","0.0412","0.0376","","","0.1002","0.1023","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024010","12.6281","0.0007","15.8244","0.0014","8.7576","0.0007","90","","90","","90","","1750","0.2","293","2","293","2","","","","","","","synthetised","5","P n a 21","P 2c -2n","33","","(±)-trans-3-t-Butyl-3-methyl-2-(diphenylphosphinoyl)oxaziridine","","- C18 H22 N O2 P -","- C18 H22 N O2 P -","- C72 H88 N4 O8 P4 -","4","1","","Cédric Boudou; Matthieu Bergès; Charlène Sagnes; Jana Sopková-de Oliveira Santos; Stéphane Perrio; Patrick Metzner","trans-(\±)-2-tert-Butyl-3-phenyloxaziridine: A Unique Reagent for the Oxidation of Thiolates into Sulfenates","Journal of Organic Chemistry","2007","72","","5403","5406","10.1021/jo070700n","","","0.71073","MoKα","","0.0883","0.047","","","0.1135","0.1311","","","","","","1.024","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024039","13.8073","0.0016","25.597","0.003","14.0108","0.0016","90","","90","","90","","4951.8","1","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F5 N3 O2 -","- C11 H6 F5 N3 O2 -","- C176 H96 F80 N48 O32 -","16","4","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0845","0.0796","","","0.1645","0.1668","","","","","","1.297","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024061","13.5897","0.0002","14.3599","0.0002","9.2557","0.0002","90","","90","","90","","1806.22","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 B N4 -","- C22 H17 B N4 -","- C88 H68 B4 N16 -","4","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","","","1.54178","CuKα","","0.0267","0.0251","","","0.0652","0.0662","","","","","","0.988","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024119","11.139","0.005","16.477","0.007","7.087","0.003","90","","90","","90","","1300.8","0.9","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","compound (16)","6-Hydroxy-5-nitro-2,2,7,8-tetramethylchroman","","- C13 H17 N O4 -","- C12.992 H17 N O4 -","- C51.968 H68 N4 O16 -","4","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","","0.1635","0.0489","","","0.0956","0.1303","","","","","","0.776","","","","has coordinates,has disorder","178420","2020-10-21","18:00:00",""
"4024241","11.4964","0.0016","14.345","0.002","15.846","0.002","90","","90","","90","","2613.3","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 S6 Si2 -","- C22 H22 S6 Si2 -","- C88 H88 S24 Si8 -","4","1","","Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang","Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)","Journal of Organic Chemistry","2009","74","","408","411","10.1021/jo802080g","","","0.71073","MoKα","","0.0437","0.0339","","","0.0785","0.0834","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024250","17.9781","0.0014","15.641","0.0012","5.618","0.0004","90","","90","","90","","1579.8","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0744","0.0575","","","0.1211","0.129","","","","","","1.003","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024404","14.6346","0.0014","16.416","0.0017","11.7446","0.0013","90","","90","","90","","2821.5","0.5","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H35 N3 O2 S -","- C32 H35 N3 O2 S -","- C128 H140 N12 O8 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0591","0.0489","","","0.1112","0.1163","","","","","","1.009","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024545","15.3989","0.0013","5.6954","0.0005","21.6927","0.0018","90","","90","","90","","1902.5","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 F3 N2 O2 -","- C21 H19 F3 N2 O2 -","- C84 H76 F12 N8 O8 -","4","1","","Mark J. Thompson; Harry Adams; Beining Chen","Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries","Journal of Organic Chemistry","2009","74","","3856","3865","10.1021/jo900425w","","","0.71073","MoKα","","0.0354","0.0318","","","0.0738","0.0756","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024676","15.0815","0.0004","24.6147","0.0006","5.0146","0.0001","90","","90","","90","","1861.55","0.08","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-(butylamino)-4,6-difluoropyridazin-3(2H)-one","","- C8 H11 F2 N3 O -","- C8 H11 F2 N3 O -","- C64 H88 F16 N24 O8 -","8","2","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.0509","0.038","","","0.0878","0.0935","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024705","17.335","0.003","7.6229","0.0012","13.737","0.002","90","","90","","90","","1815.3","0.5","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C88 H96 O16 -","8","2","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0708","0.0679","","","0.1567","0.1592","","","","","","1.242","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024761","16.0987","0.0006","11.7489","0.0005","8.6722","0.0003","90","","90","","90","","1640.28","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0464","0.0369","","","0.0969","0.1087","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024838","19.3855","0.0016","9.347","0.0008","17.3356","0.0014","90","","90","","90","","3141.1","0.5","158","2","158","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H45 N O6 S Si -","- C31 H45 N O6 S Si -","- C124 H180 N4 O24 S4 Si4 -","4","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","","0.0416","0.0301","","","0.0666","0.072","","","","","","1.056","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4025005","19.6","0.002","9.8101","0.0012","28.475","0.004","90","","90","","90","","5475","1.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C70 H64 N2 O4 -","- C70 H64 N2 O4 -","- C280 H256 N8 O16 -","4","1","","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","","0.0672","0.0528","","","0.1217","0.1309","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025028","7.3779","0.0004","22.607","0.0012","7.9039","0.0004","90","","90","","90","","1318.31","0.12","180","1","180","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 Cl O4 -","- C14 H13 Cl O4 -","- C56 H52 Cl4 O16 -","4","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","","0.0345","0.0333","","","0.0703","0.0705","","","","","","1.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025029","12.6729","0.0006","17.6509","0.0008","5.9633","0.0003","90","","90","","90","","1333.92","0.11","180","1","180","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","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","","0.043","0.0393","","","0.0687","0.069","","","","","","1.751","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025089","11.1535","0.0006","15.5488","0.0008","10.3661","0.0006","90","","90","","90","","1797.73","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","4","P n a 21","P 2c -2n","33","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","David Marcoux; Sébastien R. Goudreau; André B. Charette","trans-Directing Ability of the Amide Group: Enabling the Enantiocontrol in the Synthesis of 1,1-Dicarboxy Cyclopropanes. Reaction Development, Scope, and Synthetic Applications","Journal of Organic Chemistry","2009","74","","8939","8955","10.1021/jo902066y","","","1.54178","CuKα","","0.0296","0.0295","","","0.082","0.082","","","","","","1.056","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025098","21.298","0.001","10.326","0.001","19.407","0.001","90","","90","","90","","4268","0.5","150","0.1","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H40 O4 -","- C23 H40 O4 -","- C184 H320 O32 -","8","2","","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","","0.0681","0.0469","","","0.1096","0.1191","","","","","","1.02","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025165","12.3269","0.0003","11.6835","0.0003","20.8753","0.0005","90","","90","","90","","3006.49","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","2","P n a 21","P 2c -2n","33","1-(2-Methylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C43 H32 -","- C43 H32 -","- C172 H128 -","4","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0499","0.0485","","","0.1457","0.1475","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025166","12.3809","0.0004","11.7357","0.0003","21.3061","0.0005","90","","90","","90","","3095.74","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","2","P n a 21","P 2c -2n","33","1-(2,6-Dimethylphenyl)-2,3,4,5,6-pentaphenylbenzene","","","- C44 H34 -","- C44 H34 -","- C176 H136 -","4","1","","Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest","Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes","Journal of Organic Chemistry","2010","75","","399","406","10.1021/jo902175u","","","1.54178","CuKα","","0.0649","0.0642","","","0.172","0.1732","","","","","","1.098","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4025380","26.215","0.006","3.8912","0.0009","9.856","0.002","90","","90","","90","","1005.4","0.4","396","2","396","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H6 Br N O2 S -","- C10 H6 Br N O2 S -","- C40 H24 Br4 N4 O8 S4 -","4","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","","","0.71073","MoKα","","0.0489","0.0463","","","0.1104","0.1122","","","","","","1.066","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025414","13.6345","0.0003","3.8144","0.0001","19.833","0.0005","90","","90","","90","","1031.46","0.04","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5'-Bromo-6,2'-dichloro-[2,4']bipyridinyl","","- C10 H5 Br Cl2 N2 -","- C10 H5 Br Cl2 N2 -","- C40 H20 Br4 Cl8 N8 -","4","1","","Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort","Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure","Journal of Organic Chemistry","2010","75","","3224","3231","10.1021/jo100152e","","","0.71073","MoKα","","0.0355","0.0284","","","0.0561","0.0576","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025637","28.657","0.002","11.1553","0.0007","6.0182","0.0005","90","","90","","90","","1923.9","0.2","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.0789","0.0438","","","0.0927","0.1068","","","","","","1.017","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025639","28.7069","0.0008","11.1373","0.0003","6.0181","0.0002","90","","90","","90","","1924.09","0.1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Br N O3 S -","- C20 H20 Br N O3 S -","- C80 H80 Br4 N4 O12 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.0417","0.0316","","","0.066","0.0687","","","","","","1.042","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025651","15.589","0.0009","5.704","0.0003","44.433","0.002","90","","90","","90","","3951","0.4","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C184 H184 N8 O24 S8 -","8","2","","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","","0.0921","0.0479","","","0.0997","0.118","","","","","","1.007","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025653","9.9889","0.0007","11.4918","0.0008","9.6399","0.0007","90","","90","","90","","1106.57","0.14","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H18 N2 O2 -","- C9 H18 N2 O2 -","- C36 H72 N8 O8 -","4","1","","Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov","Cyclobutane-Derived Diamines: Synthesis and Molecular Structure","Journal of Organic Chemistry","2010","75","","5941","5952","10.1021/jo101271h","","","0.71073","MoKα","","0.0845","0.0542","","","0.1204","0.1338","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025782","12.417","0.005","20.169","0.004","9.799","0.006","90","","90","","90","","2454","1.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H33 N O5 S -","- C27 H33 N O5 S -","- C108 H132 N4 O20 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0729","0.0511","","","0.1178","0.146","","","","","","1.089","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4026015","20.663","0.003","14.7908","0.0016","6.0694","0.0007","90","","90","","90","","1854.9","0.4","190","2","190","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Joseph J. Topczewski; John G. Kodet; David F. Wiemer","Exploration of Cascade Cyclizations Terminated by Tandem Aromatic Substitution: Total Synthesis of (+)-Schweinfurthin A","Journal of Organic Chemistry","2011","76","","909","919","10.1021/jo1022102","","","0.71073","MoKα","","0.0521","0.0465","","","0.129","0.135","","","","","","1.075","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026064","17.9076","0.0016","7.1357","0.0006","11.9889","0.0011","90","","90","","90","","1532","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","15b-Methyl-1H-benzo[e]indolo[1,2-a]pyrrolo[2,1-c][1,4]diazepine- -3,9(2H,15bH)-dione","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Yu Zhou; Jian Li; Xun Ji; Wei Zhou; Xu Zhang; Wangke Qian; Hualiang Jiang; Hong Liu","Silver- and Gold-Mediated Domino Transformation: A Strategy for Synthesizing Benzo[e]indolo[1,2-a]pyrrolo/pyrido[2,1-c][1,4]diazepine-3,9-diones","Journal of Organic Chemistry","2011","76","","1239","1249","10.1021/jo101727r","","","0.71073","MoKα","","0.0387","0.0349","","","0.0841","0.0861","","","","","","1.052","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026079","22.99","0.0005","11.5589","0.0003","6.2791","0.0002","90","","90","","90","","1668.6","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","none","14-phenyl-3,13-dioxanonacyclo [9.4.2.1^2,5^.1^7,10^.0^2,10^.0^4,8^.0^12,15^.0^14,17^.0^18,19^] nonadec-9-one","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","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","","0.0472","0.0438","","","0.1243","0.1283","","","","","","0.956","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026426","9.301","0.004","18.549","0.009","6.56","0.003","90","","90","","90","","1131.8","0.9","213","2","213","2","","","","","","","","2","P n a 21","P 2c -2n","33","","1,9-dimethylphenanthrene","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","","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","","0.046","0.0394","","","0.0983","0.1021","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026597","16.0264","0.0007","5.8","0.0003","22.8485","0.0011","90","","90","","90","","2123.84","0.18","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","David J. Dibble; Joseph W. Ziller; K. A. Woerpel","Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts","Journal of Organic Chemistry","2011","76","","7706","7719","10.1021/jo200950s","","","0.71073","MoKα","","0.0346","0.031","","","0.0761","0.0787","","","","","","1.026","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026634","13.6037","0.001","11.6379","0.0009","7.3569","0.0004","90","","90","","90","","1164.73","0.14","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou","Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore","Journal of Organic Chemistry","2011","76","","8189","8202","10.1021/jo2012384","","","0.71073","MoKα","","0.0504","0.0312","","","0.0562","0.0582","","","","","","0.856","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026643","15.86","0.003","10.73","0.002","5.8704","0.0012","90","","90","","90","","999","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","James J. Mousseau; James A. Bull; Carolyn L. Ladd; Angélique Fortier; Daniela Sustac Roman; André B. Charette","Synthesis of 2- and 2,3-Substituted Pyrazolo[1,5-a]pyridines: Scope and Mechanistic Considerations of a Domino Direct Alkynylation and Cyclization of N-Iminopyridinium Ylides Using Alkenyl Bromides, Alkenyl Iodides, and Alkynes","Journal of Organic Chemistry","2011","76","","8243","8261","10.1021/jo201303x","","","1.54178","CuKα","","0.1578","0.12","","","0.3536","0.3807","","","","","","1.574","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026649","11.8018","0.0017","8.7725","0.0013","30.605","0.005","90","","90","","90","","3168.6","0.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-{4-(9H-carbazol-9-yl)phenyl}-5-(2,4,6-tert-butylphenyl)-1,3,4-oxadiazole","","- C38 H41 N3 O -","- C38 H41 N3 O -","- C152 H164 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0681","0.0529","","","0.1119","0.1186","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026669","28.7457","0.0018","11.6165","0.0008","4.2085","0.0003","90","","90","","90","","1405.32","0.16","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","Compound 11","10-(Dimethoxymethyl)quinoxalino[2,3-c]cinnoline","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C68 H56 N16 O8 -","4","1","","Makhluf J. Haddadin; Mirna El-Khatib; Tharallah A. Shoker; Christine M. Beavers; Marilyn M. Olmstead; James C. Fettinger; Kelli M. Farber; Mark J. Kurth","Quinoxalino[2,3-c]cinnolines and Their 5-N-Oxide: Alkoxylation of Methyl-Substituted Quinoxalino[2,3-c]cinnolines to Acetals and Orthoesters","Journal of Organic Chemistry","2011","76","","8421","8427","10.1021/jo201687x","","","1.54178","CuKα","","0.0478","0.0454","","","0.129","0.1314","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026820","10.776","0.002","12.517","0.003","17.465","0.004","90","","90","","90","","2355.7","0.9","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H18 B F2 N3 S2 -","- C28 H18 B F2 N3 S2 -","- C112 H72 B4 F8 N12 S8 -","4","1","","Xinfu Zhang; Haibo Yu; Yi Xiao","Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes","Journal of Organic Chemistry","2012","77","","669","673","10.1021/jo201413b","","","0.71073","MoKα","","0.0508","0.043","","","0.1488","0.1689","","","","","","0.55","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026899","17.9478","0.0003","20.838","0.0004","10.6397","0.0002","90","","90","","90","","3979.21","0.13","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42.25 H63.5 Cl N4 O0.75 -","- C42.25 H63.5 Cl N4 O0.75 -","- C169 H254 Cl4 N16 O3 -","4","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.0661","0.0589","","","0.1713","0.1749","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026943","22.266","0.002","8.883","0.0009","9.3118","0.001","90","","90","","90","","1841.8","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0583","0.0503","","","0.1255","0.1313","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027013","20.0996","0.0003","11.4689","0.0005","19.5158","0.0004","90","","90","","90","","4498.8","0.2","150","1","150","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25.5 H16 B Cl N6 O3 S -","- C25.5 H16 B Cl N6 O3 S -","- C204 H128 B8 Cl8 N48 O24 S8 -","8","2","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.0999","0.0561","","","0.1328","0.1601","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027115","23.957","0.005","8.3528","0.0017","20.444","0.004","90","","90","","90","","4091","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 Cl Cu N4 O4 -","- C96 Cl12 Cu12 N48 O48 -","12","3","","Bo Yao; Zu-Li Wang; Hu Zhang; De-Xian Wang; Liang Zhao; Mei-Xiang Wang","Cu(ClO4)2-Mediated Arene C-H Bond Halogenations of Azacalixaromatics Using Alkali Metal Halides as Halogen Sources","Journal of Organic Chemistry","2012","77","","3336","3340","10.1021/jo300152u","","","0.71073","MoKα","","0.0546","0.051","","","0.1334","0.1374","","","","","","1.07","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027137","10.664","0.003","13.107","0.003","3.9339","0.0009","90","","90","","90","","549.9","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H3 Br O2 -","- C5 H3 Br O2 -","- C20 H12 Br4 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0958","0.08","","","0.188","0.1938","","","","","","1.365","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027229","9.2005","0.0005","12.503","0.0006","17.8158","0.0009","90","","90","","90","","2049.42","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.1198","0.0473","","","0.0884","0.1069","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027250","17.5578","0.0008","8.6412","0.0004","28.8289","0.0017","90","","90","","90","","4373.9","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H24 Cl O2 P -","- C24 H24 Cl O2 P -","- C192 H192 Cl8 O16 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0636","0.0397","","","0.0831","0.0893","","","","","","0.95","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027289","15.0317","0.0015","14.8962","0.0015","6.9832","0.0007","90","","90","","90","","1563.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 Cl4 O3 -","- C15 H10 Cl4 O3 -","- C60 H40 Cl16 O12 -","4","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.096","0.0485","","","0.1059","0.1214","","","","","","0.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027342","23.9334","0.0009","8.3486","0.0003","20.4206","0.0009","90","","90","","90","","4080.2","0.3","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 H12 Cl Cu N4 O4 -","- C96 H144 Cl12 Cu12 N48 O48 -","12","3","","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","","0.0496","0.0379","","","0.0671","0.0707","","","","","","1.158","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027424","13.8598","0.0007","11.5756","0.0007","23.3102","0.0012","90","","90","","90","","3739.8","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H Cl N O -","- C2.13333 H1.70667 Cl0.213333 N0.213333 O0.213333 -","- C160 H128 Cl16 N16 O16 -","75","18.75","","Zhiguo Zhang; Shiliang Fang; Qingfeng Liu; Guisheng Zhang","Approach to Polysubstituted 4-Pyridones from N-Aryl Acetoacetamides via a N to C1,3-Acyl Migration Mediated by Sodium Persulfate","Journal of Organic Chemistry","2012","77","","7665","7670","10.1021/jo3010217","","","0.71073","MoKα","","0.1029","0.0502","","","0.0923","0.1111","","","","","","1.009","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027460","15.1","0.002","10.896","0.001","10.787","0.001","90","","90","","90","","1774.8","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","5,5-difluoro-2,8-dimethyl-3,7-di(thiophen-2-yl)-5H-dipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinin-6-ium-5-uide","","- C19 H15 B F2 N2 S2 -","- C19 H15 B F2 N2 S2 -","- C76 H60 B4 F8 N8 S8 -","4","1","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","0.7107","MoKα","","0.0538","0.0362","","","0.0793","0.0885","","","","","","1.058","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027469","21.1724","0.0011","13.2827","0.0005","7.0396","0.0002","90","","90","","90","","1979.72","0.14","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C96 H88 N16 O8 S4 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0261","0.0261","","","0.0716","0.0716","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027516","9.2386","0.0008","24.0533","0.0017","6.5901","0.0005","90","","90","","90","","1464.4","0.2","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","14R(S),15R(S)-14,15-dicyano-7-azadispiro[5.1.5.2]pentadecane-7-oxyl","","- C16 H22 N3 O -","- C16 H22 N3 O -","- C64 H88 N12 O4 -","4","1","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.0363","0.035","","","0.0926","0.098","","","","","","1.155","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027570","22.0358","0.0019","6.0237","0.0005","24.783","0.002","90","","90","","90","","3289.6","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0876","0.0802","","","0.1989","0.205","","","","","","1.168","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027654","23.01","","18.23","","22","","90","","90","","90","","9228.39","","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C89.5 H126.5 F6.5 N O17.25 -","- C89.4 H120.6 F6.6 N O17.2 -","- C357.6 H482.4 F26.4 N4 O68.8 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.88561","","","0.0957","0.0837","","","0.2139","0.2271","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027954","18.6617","0.001","5.4269","0.0008","29.7664","0.0013","90","","90","","90","","3014.6","0.5","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","2","","Rivka R. R. Taylor; Robert A. Batey","A Hetero Diels-Alder Approach to the Synthesis of Chromans (3,4-Dihydrobenzopyrans) Using Oxonium Ion Chemistry: The Oxa-Povarov Reaction","Journal of Organic Chemistry","2013","78","","1404","1420","10.1021/jo302328s","","","0.71073","MoKα","","0.0872","0.0489","","","0.1126","0.1348","","","","","","1.042","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027978","29.2377","0.0006","8.1211","0.0002","5.9432","0.0001","90","","90","","90","","1411.17","0.05","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Amy M. Green; Hannah R. Naughton; Zachariah B. Nealy; Robert D. Pike; Christopher J. Abelt","Carbonyl-Twisted 6-Acyl-2-dialkylaminonaphthalenes as Solvent Acidity Sensors","Journal of Organic Chemistry","2013","78","","1784","1789","10.1021/jo301263g","","","1.54178","CuKα","","0.0466","0.0462","","","0.1307","0.131","","","","","","1.031","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027995","7.6888","0.0002","25.3925","0.0008","12.9468","0.0004","90","","90","","90","","2527.71","0.13","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","none","dimethyl 11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^] dodeca-4,9-diene-2,7-dicarboxylate","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.08","0.0681","","","0.1895","0.1981","","","","","","1.115","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028094","7.559","0.006","19.638","0.015","12.109","0.01","90","","90","","90","","1798","2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","","Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu","Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction","Journal of Organic Chemistry","2013","78","","3132","3141","10.1021/jo400081q","","","0.71073","MoKα","","0.0371","0.0319","","","0.0729","0.0767","","","","","","1.054","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4028146","17.454","0.005","5.917","0.002","13.841","0.005","90","","90","","90","","1429.4","0.8","90","0.5","90","0.5","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0418","0.0376","","","0.0932","0.0963","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028147","16.783","0.002","16.484","0.003","8.9999","0.001","90","","90","","90","","2489.8","0.6","90","0.5","90","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0359","0.0308","","","0.0777","0.0806","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028217","15.099","0.003","9.3135","0.0014","18.43","0.002","90","","90","","90","","2591.7","0.7","190","","190","","","","101","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 F O6 P S -","- C26 H28 F O6 P S -","- C104 H112 F4 O24 P4 S4 -","4","1","","Stanislav Opekar; Radek Pohl; Václav Eigner; Petr Beier","Conjugate Addition of Diethyl 1-Fluoro-1-phenylsulfonylmethanephosphonate to α,β-Unsaturated Compounds","Journal of Organic Chemistry","2013","78","","4573","4579","10.1021/jo400297f","","","1.54184","CuKα","","0.1099","0.1032","","0.112","0.106","0.106","","","","","","0.9328","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028236","13.293","0.0003","11.5155","0.0003","34.5292","0.0009","90","","90","","90","","5285.6","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H24 N2 O9 S2 -","- C26 H24 N2 O9 S2 -","- C208 H192 N16 O72 S16 -","8","2","","Rahul Kumar; Tarun Kumar; Shaikh M. Mobin; Irishi N. N. Nambothiri","Rauhut-Currier Reaction of Nitroalkenes with Vinyl Sulfones","Journal of Organic Chemistry","2013","78","","5073","5077","10.1021/jo400528j","","","0.71073","MoKα","","0.0576","0.0486","","","0.1185","0.127","","","","","","1.049","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028495","13.992","0.0009","8.9084","0.0001","8.6286","0.0001","90","","90","","90","","1075.52","0.07","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","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","","0.0427","0.0405","","","0.0963","0.0984","","","","","","1.15","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028545","12.113","0.002","16.639","0.003","4.8589","0.001","90","","90","","90","","979.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 F6 N3 -","- C8 H3 F6 N3 -","- C32 H12 F24 N12 -","4","1","","Michael De Rosa; David Arnold; Douglas Hartline","Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways","Journal of Organic Chemistry","2013","78","","8614","8623","10.1021/jo4012915","","","0.71073","MoKα","","0.1266","0.1039","","","0.3028","0.3289","","","","","","1.247","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028566","29.415","0.004","6.2737","0.0008","10.6309","0.0014","90","","90","","90","","1961.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe N -","- C26 H21 Fe N -","- C104 H84 Fe4 N4 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0489","0.0348","","","0.0725","0.0797","","","","","","1.036","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028574","7.5169","0.0013","16.51","0.003","13.022","0.002","90","","90","","90","","1616.1","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 Br N2 O -","- C19 H17 Br N2 O -","- C76 H68 Br4 N8 O4 -","4","1","","Xiaodong Jia; Yaxin Wang; Fangfang Peng; Congde Huo; Liangliang Yu; Jing Liu; Xicun Wang","Catalytic sp3C-H Oxidation of Peptides and Their Analogues by Radical Cation Salts: From Glycine Amides to Quinolines","Journal of Organic Chemistry","2013","78","","9450","9456","10.1021/jo401018v","","","0.71073","MoKα","","0.0363","0.0314","","","0.0863","0.0904","","","","","","1.028","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028584","12.106","0.0004","26.2262","0.0009","5.0256","0.0001","90","","90","","90","","1595.6","0.08","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 O3 S2 -","- C17 H13 N3 O3 S2 -","- C68 H52 N12 O12 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0351","0.0298","","","0.0709","0.0725","","","","","","1.034","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028631","17.627","0.004","16.321","0.004","5.5951","0.0012","90","","90","","90","","1609.7","0.6","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Estela Álvarez; Patricia García-García; Manuel A. Fernández-Rodríguez; Roberto Sanz","Regioselective Synthesis of Elusive 4,9-Dihydro-1H-Carbazoles by Gold-Catalyzed Cycloisomerization of 3-Allenylmethylindoles","Journal of Organic Chemistry","2013","78","","9758","9771","10.1021/jo401388b","","","0.71073","MoKα","","0.0359","0.0337","","","0.0803","0.0828","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028747","10.457","0.0002","11.4169","0.0002","12.6533","0.0002","90","","90","","90","","1510.63","0.05","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Silvia V. Rocha; Nathaniel S. Finney","Systematic Evaluation of 2,6-Linked Pyridine-Thiophene Oligomers","Journal of Organic Chemistry","2013","78","","11255","11261","10.1021/jo401735g","","","0.71073","MoKα","","0.0511","0.0397","","","0.0896","0.0959","","","","","","1.046","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4029112","12.877","0.002","17.258","0.003","18.33","0.004","90","","90","","90","","4073.5","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H83 Cl3 O S8 Si8 -","- C57 H81 Cl3 O S8 Si8 -","- C114 H162 Cl6 O2 S16 Si16 -","2","0.5","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.1016","0.0854","","","0.2258","0.2429","","","","","","1.017","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029142","8.0687","0.0005","16.6793","0.001","20.4007","0.0011","90","","90","","90","","2745.5","0.3","170","2","170","2","","","100","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C112 H192 N32 O16 -","8","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","","0.71073","MoKα","","0.0755","0.0555","","","0.1346","0.143","","","","","","1.07","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029143","8.0687","0.0005","16.6793","0.001","20.4007","0.0011","90","","90","","90","","2745.5","0.3","170","2","170","2","","","100","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C112 H192 N32 O16 -","8","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0756","0.0556","","","0.1356","0.1441","","","","","","1.074","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029222","11.9348","0.0003","6.0568","0.0002","15.6499","0.0005","90","","90","","90","","1131.28","0.06","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","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","","0.03","0.0256","","0.0325","0.0296","0.0296","","","","","","1.1834","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029253","26.203","0.003","8.9809","0.0009","11.0665","0.0011","90","","90","","90","","2604.2","0.5","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0514","","","","0.1477","","","","","","1.071","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029259","21.5783","0.0013","10.3365","0.0006","5.9411","0.0002","90","","90","","90","","1325.13","0.12","291","2","291.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H13 N S -","- C16 H13 N S -","- C64 H52 N4 S4 -","4","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","1.5418","CuKα","","0.0398","0.0354","","","0.0911","0.0955","","","","","","1.037","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029308","7.789","0.009","33.34","0.04","6.278","0.008","90","","90","","90","","1630","3","125","","125","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H12 F5 N S Se -","- C16 H12 F5 N S Se -","- C64 H48 F20 N4 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0629","","","","0.1899","","","","","","0.946","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029347","20.109","0.002","12.9225","0.0009","12.0941","0.0008","90","","90","","90","","3142.8","0.4","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C38 H30 N6 -","- C38 H30 N6 -","- C152 H120 N24 -","4","1","","Jiang, Bo; Ning, Yi; Fan, Wei; Tu, Shu-Jiang; Li, Guigen","Oxidative Dehydrogenative Couplings of Pyrazol-5-amines Selectively Forming Azopyrroles.","The Journal of organic chemistry","2014","79","9","4018","4024","10.1021/jo5004967","","","0.71073","MoKα","","0.1518","0.0579","","","0.125","0.1896","","","","","","1.074","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029404","14.6805","0.0002","15.8549","0.0002","10.8348","0.0002","90","","90","","90","","2521.88","0.07","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","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","","0.0559","0.044","","","0.0992","0.1045","","","","","","1.115","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029570","19.837","0.004","14.112","0.003","5.1834","0.001","90","","90","","90","","1451","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","3,3-difluoro-4-iodo-2,5-diphenyl-2,3-dihydrofuran","3,3-difluoro-4-iodo-2,5-diphenyl-2,3-dihydrofuran","","- C16 H11 F2 I O -","- C16 H11 F2 I O -","- C64 H44 F8 I4 O4 -","4","1","","Arimitsu, Satoru; Jacobsen, Jesse M.; Hammond, Gerald B.","Synthesis of 2,4,5-trisubstituted 3-fluorofurans via sequential iodocyclization and cross-coupling of gem-difluorohomopropargyl alcohols.","The Journal of organic chemistry","2008","73","7","2886","2889","10.1021/jo800088y","","","0.71073","MoKα","","0.0612","0.0471","","","0.088","0.092","","","","","","1.064","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029598","7.2946","0.0007","16.473","0.002","7.7761","0.0011","90","","90","","90","","934.4","0.2","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-fluoro-2-(2-nitrophenyl)acetate","","- C9 H8 F N O4 -","- C9 H8 F N O4 -","- C36 H32 F4 N4 O16 -","4","1","","Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak","Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester.","Beilstein journal of organic chemistry","2014","10","","1213","1219","10.3762/bjoc.10.119","","","0.7107","MoKα","Mo","0.086","0.0534","","","0.1065","0.1266","","","","","","1.096","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029713","22.587","0.003","5.7481","0.0008","16.118","0.002","90","","90","","90","","2092.6","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","1","","Sun, Jing; Gao, Hong; Wu, Qun; Yan, Chao-Guo","Facile synthesis of functionalized tetrahydroquinolines via domino Povarov reactions of arylamines, methyl propiolate and aromatic aldehydes.","Beilstein journal of organic chemistry","2012","8","","1839","1843","10.3762/bjoc.8.211","","","0.71073","MoKα","","0.045","0.0355","","","0.0792","0.085","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029725","11.405","0.002","14.943","0.003","10.8676","0.0018","90","","90","","90","","1852.1","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N3 O6 -","- C19 H21 N3 O6 -","- C76 H84 N12 O24 -","4","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","","0.028","0.0271","","","0.0667","0.0672","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029747","10.1882","0.0003","10.616","0.0004","16.3593","0.0005","90","","90","","90","","1769.39","0.1","123","","123","","","","","","","","see text","4","P n a 21","P 2c -2n","33","","","","- C15 H27 N O5 -","- C15 H27 N O5 -","- C60 H108 N4 O20 -","4","1","","Grauer, Andreas A.; König, Burkhard","Synthesis of new Calpha-tetrasubstituted alpha-amino acids.","Beilstein journal of organic chemistry","2009","5","","5","","10.3762/bjoc.5.5","","x-ray","1.54184","CuKα","","0.0719","0.0623","","","0.1808","0.1896","","","","","","1.079","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029803","18.066","0.004","10.234","0.002","22.275","0.005","90","","90","","90","","4118.4","1.5","173","2","173","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H29 N5 O2 -","- C18 H29 N5 O2 -","- C144 H232 N40 O16 -","8","2","","Long, Sihui; Muthusamy, Venkatraj; Willis, Peter G.; Parkin, Sean; Cammers, Arthur","Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines.","Beilstein journal of organic chemistry","2008","4","","23","","10.3762/bjoc.4.23","","","0.71073","MoKα","","0.0908","0.0737","","","0.1638","0.1728","","","","","","1.116","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029837","22.249","0.003","9.242","0.0014","9.1181","0.0012","90","","90","","90","","1874.9","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H17 N3 -","- C25 H17 N3 -","- C100 H68 N12 -","4","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.0653","0.0471","","","0.0988","0.1078","","","","","","1.031","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029882","12.372","0.003","5.7322","0.0013","14.47","0.004","90","","90","","90","","1026.2","0.4","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H13 F3 -","- C12 H13 F3 -","- C48 H52 F12 -","4","1","","Durie, Alastair J.; Fujiwara, Tomoya; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Stepwise Preparation of All-cis 1,3,4-Trifluoro-2-phenylcyclohexane, Avoiding a Phenonium Intermediate.","The Journal of organic chemistry","2014","79","17","8228","8233","10.1021/jo501432x","","","0.71075","MoKα","","","0.0394","","","","0.0874","","","","","","1.067","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029961","27.15","0.009","15.576","0.005","8.563","0.003","90","","90","","90","","3621","2","243","2","243","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H23 Cl N Rh -","- C18 H23 Cl N Rh -","- C144 H184 Cl8 N8 Rh8 -","8","2","","Gupta, Sreya; Han, Junghoon; Kim, Yongjin; Lee, Soon W.; Rhee, Young Ho; Park, Jaiwook","C-h activation guided by aromatic N-h ketimines: synthesis of functionalized isoquinolines using benzyl azides and alkynes.","The Journal of organic chemistry","2014","79","19","9094","9103","10.1021/jo501465q","","","0.71073","MoKα","","0.1282","0.0495","","","0.0639","0.0861","","","","","","0.785","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4030166","19.694","0.01","13.615","0.006","5.587","0.003","90","","90","","90","","1498.1","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 N3 O4 -","- C15 H21 N3 O4 -","- C60 H84 N12 O16 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.1153","0.0845","","","0.1866","0.1958","","","","","","1.6","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030276","12.9764","0.0003","10.6461","0.0002","6.4669","0.0001","90","","90","","90","","893.39","0.03","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- K O5 P Sn0.5 Ti0.5 -","- K O5 P Sn0.5035 Ti0.4965 -","- K8 O40 P8 Sn4.028 Ti3.972 -","8","2","","Crennell, S. J.; Owen, J. J.; Cheetham, A. K.; Kaduk, J. A.; Jarman, R. H.","A combined X-ray and neutron powder diffraction study of K(Ti0.5Sn0.5)OPO4","European Journal of Solid State and Inorganic Chemistry","1991","28","","397","407","","","neutron","","white","","","","","","","","","","2.089","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030412","10.1335","0.0003","6.3717","0.0003","31.1401","0.001","90","","90","","90","","2010.64","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H13 I O2 -","- C10 H13 I O2 -","- C80 H104 I8 O16 -","8","2","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0311","0.0269","","","0.0566","0.0588","","","","","","1.085","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030460","11.9085","0.0003","17.1795","0.0004","10.1524","0.0002","90","","90","","90","","2077","0.08","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H24 F2 N2 O5 -","- C18 H24 F2 N2 O5 -","- C72 H96 F8 N8 O20 -","4","1","","Mamone, Marius; Morvan, Estelle; Milcent, Thierry; Ongeri, Sandrine; Crousse, Benoit","Electrophilic amination of fluoroalkyl groups on azodicarboxylate derivatives.","The Journal of organic chemistry","2015","80","3","1964","1971","10.1021/jo502638y","","","0.71073","MoKα","","0.0326","0.0298","","0.0723","0.0713","0.0723","","","","","","1.0069","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030605","9.342","0.004","8.821","0.005","5.166","0.002","90","","90","","90","","425.7","0.3","","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- As Be Cs O4 -","- As Be Cs O4 -","- As4 Be4 Cs4 O16 -","4","1","","Jaulmes, S.; Wallez, G.; Elfakir, A.; Quarton, M.","Crystal growth and structure determination of the monoarsenate CsBeAsO4","European Journal of Solid State and Inorganic Chemistry","1993","30","","1007","1015","","","x-ray","0.71069","MoKα","","","0.0548","","","0.0554","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030648","15.7337","0.0007","7.0498","0.0004","9.911","0.0005","90","","90","","90","","1099.32","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","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","","0.0822","0.0439","","","0.0819","0.0974","","","","","","1.017","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030783","25.0058","0.0012","13.0551","0.0006","12.6318","0.0005","90","","90","","90","","4123.7","0.3","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C168 H168 Br8 O24 S8 -","8","2","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.1661","0.0452","","","0.0652","0.0867","","","","","","0.934","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030820","12.906","0.002","6.468","0.001","10.519","0.002","90","","90","","90","","878.1","0.3","","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- O5 P Ti Tl -","- O5 P Ti Tl -","- O40 P8 Ti8 Tl8 -","8","2","","Jannin, M.; Kilinsky, C.; Godefroy, G.; Jannot, B.; Sorokina, N. I.; Lee, D. Y.; Simonov, V. I.; Vronkova, V. I.; Yanoviskii, V. K.","Crystal structures and dielectric properties of compounds in the KTiOPP4-TlTiOPO4 and RbTiOPO4-TlTiOPO4 systems","European Journal of Solid State and Inorganic Chemistry","1996","33","","607","621","","","x-ray","0.71073","MoKα","","","0.042","","","0.043","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030821","12.842","0.002","6.414","0.001","10.588","0.001","90","","90","","90","","872.1","0.2","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- K0.82 O5 P Ti Tl0.18 -","- K0.82 O5 P Ti Tl0.18 -","- K6.56 O40 P8 Ti8 Tl1.44 -","8","2","","Jannin, M.; Kilinsky, C.; Godefroy, G.; Jannot, B.; Sorokina, N. I.; Lee, D. Y.; Simonov, V. I.; Vronkova, V. I.; Yanoviskii, V. K.","Crystal structures and dielectric properties of compounds in the KTiOPP4-TlTiOPO4 and RbTiOPO4-TlTiOPO4 systems","European Journal of Solid State and Inorganic Chemistry","1996","33","","607","621","","","x-ray","0.71073","MoKα","","","0.02","","","0.023","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030822","12.946","0.003","6.491","0.001","10.547","0.003","90","","90","","90","","886.3","0.4","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.77 Ti Tl0.23 -","- O5 P Rb0.77 Ti Tl0.23 -","- O40 P8 Rb6.16 Ti8 Tl1.84 -","8","2","","Jannin, M.; Kilinsky, C.; Godefroy, G.; Jannot, B.; Sorokina, N. I.; Lee, D. Y.; Simonov, V. I.; Vronkova, V. I.; Yanoviskii, V. K.","Crystal structures and dielectric properties of compounds in the KTiOPP4-TlTiOPO4 and RbTiOPO4-TlTiOPO4 systems","European Journal of Solid State and Inorganic Chemistry","1996","33","","607","621","","","x-ray","0.71073","MoKα","","","0.021","","","0.023","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030917","10.3476","0.0016","21.312","0.003","9.2867","0.0015","90","","90","","90","","2048","0.5","130","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Qi, Zisong; Yu, Songjie; Li, Xingwei","Rh(III)-Catalyzed Oxidative Annulation of 2-Phenylimidazo[1,2-a]pyridines with Alkynes: Mono versus Double C-H Activation.","The Journal of organic chemistry","2015","80","7","3471","","10.1021/acs.joc.5b00059","","","0.71073","MoKα","","0.1068","0.0543","","","0.0922","0.1097","","","","","","0.973","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030983","10.8866","0.00016","14.8755","0.0002","10.23202","0.00014","90","","90","","90","","1657.01","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","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","","0.0337","0.0323","","","0.0848","0.0865","","","","","","1.024","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030992","11.36582","0.00011","15.33727","0.00014","9.60241","0.00009","90","","90","","90","","1673.9","0.03","119.97","0.1","119.97","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H20 F2 N2 O2 -","- C19 H20 F2 N2 O2 -","- C76 H80 F8 N8 O8 -","4","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","","0.0304","0.0301","","","0.0795","0.0799","","","","","","1.033","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4031080","15.3762","0.0012","9.3483","0.0007","6.8213","0.0006","90","","90","","90","","980.5","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","2,2-dinitropropane-1,3-diyl dicarbamate","2,2-dinitropropane-1,3-diyl dicarbamate","","- C5 H8 N4 O8 -","- C5 H8 N4 O8 -","- C20 H32 N16 O32 -","4","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","","0.0616","0.042","","","0.0718","0.0822","","","","","","1.047","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031166","16.4719","","7.486","","16.427","","90","","90","","90","","2025.59","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","((Ru (C O)3)2 Cl H (Ir (C O)3)2)","","- C12 H Cl Ir2 O12 Ru2 -","- C12 Cl Ir2 O12 Ru2 -","- C48 Cl4 Ir8 O48 Ru8 -","4","1","","Harkonen, A.U.; Ahlgren, M.; Pakkanen, T.A.; Pursiainen, J.","Reaction of ruthenium carbonyl chloride with iridium tetracarbonyl anion. Synthesis, crystal structure and characterisation of (Ru2 Ir2 H (C O)12 Cl): a heterometallic tetranuclear butterfly cluster with chloride bridge","Journal of Organometallic Chemistry","1999","573","","225","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031310","26.103","0.019","9.905","0.007","4.977","0.004","90","","90","","90","","1286.8","1.7","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","benzo[l]acephenanthrylene","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0711","0.0376","","","0.0822","0.0966","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031898","9.1089","0.0018","9.794","0.002","10.309","0.002","90","","90","","90","","919.7","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N4 O0 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","","Sun, Kai; Zhu, Zhonghong; Sun, Jingjing; Liu, Lulu; Wang, Xin","Copper-Catalyzed N-Arylation of Azoles and Mannich-Type Coupling of Ketones and Azoles under Metal-Free Conditions.","The Journal of organic chemistry","2016","81","4","1476","1483","10.1021/acs.joc.5b02593","","","0.71073","MoKα","","0.0374","0.0326","","","0.0883","0.0915","","","","","","1.051","","","","has coordinates","177234","2020-10-21","18:00:00",""
"4031910","7.5963","0.0002","18.1171","0.0006","11.602","0.0003","90","","90","","90","","1596.7","0.08","571","2","571","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","","Wei, Jun; Jiang, Jingxing; Xiao, Xinsheng; Lin, Dongen; Deng, Yuanfu; Ke, Zhuofeng; Jiang, Huanfeng; Zeng, Wei","Copper-Catalyzed Regioselective C-H Sulfonylation of 8-Aminoquinolines.","The Journal of organic chemistry","2016","81","3","946","955","10.1021/acs.joc.5b02509","","","1.54178","CuKα","","0.0336","0.033","","","0.0875","0.0881","","","","","","1.08","","","","has coordinates","177247","2020-10-21","18:00:00",""
"4032047","8.108","0.0016","24.504","0.005","9.769","0.002","90","","90","","90","","1940.9","0.7","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H26 O2 -","- C27 H26 O2 -","- C108 H104 O8 -","4","1","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.71073","MoKα","","0.0528","0.0414","","","0.0883","0.0931","","","","","","0.991","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4032088","9.9926","0.0005","14.1265","0.0006","31.0675","0.0015","90","","90","","90","","4385.5","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H23 N O4 S -","- C18 H23 N O4 S -","- C144 H184 N8 O32 S8 -","8","2","","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","","0.2378","0.0932","","","0.1816","0.2224","","","","","","0.895","","","","has coordinates,has disorder","193538","2020-10-21","18:00:00",""
"4032098","9.2902","0.0009","18.1269","0.0013","9.1449","0.0006","90","","90","","90","","1540","0.2","152.01","0.1","152.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Zhou, Qi; Zhang, Zhikun; Zhou, Yujing; Li, Shichao; Zhang, Yan; Wang, Jianbo","Palladium-Catalyzed Synthesis of Indoles and Isoquinolines with in Situ Generated Phosphinimine.","The Journal of organic chemistry","2017","82","1","48","56","10.1021/acs.joc.6b01864","","","0.71073","MoKα","","0.0948","0.0678","","","0.1467","0.1659","","","","","","1.06","","","","has coordinates","193537","2020-10-21","18:00:00",""
"4032103","10.2941","0.0003","18.8657","0.0005","10.2215","0.0003","90","","90","","90","","1985.07","0.1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","S1480","","","- C25 H16 N O3 -","- C25 H16 N O3 -","- C100 H64 N4 O12 -","4","1","","Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su","Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.","The Journal of organic chemistry","2017","82","7","3359","3367","10.1021/acs.joc.6b02708","","","0.71073","","","0.0723","0.0596","","","0.165","0.1749","","","","","","1.033","","","","has coordinates,has disorder","196148","2020-10-21","18:00:00",""
"4032159","15.476","0.002","12.9994","0.0017","5.4283","0.0007","90","","90","","90","","1092.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C48 H36 Br4 O12 -","4","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0618","0.0516","","","0.1357","0.1435","","","","","","1.073","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032179","9.4346","0.0002","13.9909","0.0004","14.0519","0.0004","90","","90","","90","","1854.83","0.08","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","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","","0.0382","0.0294","","","0.0649","0.0691","","","","","","1.047","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032206","19.003","0.0011","23.7576","0.0013","10.0893","0.0006","90","","90","","90","","4555","0.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","12246c","","","- C55 H45 Cl N O5 P2 Rh -","- C55 H45 Cl N O5 P2 Rh -","- C220 H180 Cl4 N4 O20 P8 Rh4 -","4","1","","Hoang, Giang T.; Walsh, Dylan J.; McGarry, Kathryn A.; Anderson, Constance B.; Douglas, Christopher J.","Development and Mechanistic Study of Quinoline-Directed Acyl C-O Bond Activation and Alkene Oxyacylation Reactions.","The Journal of organic chemistry","2017","82","6","2972","2983","10.1021/acs.joc.6b03011","","","0.71073","MoKα","","0.0391","0.0311","","","0.0627","0.0658","","","","","","1.034","","","","has coordinates","194859","2020-10-21","18:00:00",""
"4032324","13.9167","0.0003","14.5107","0.0003","6.79621","0.00018","90","","90","","90","","1372.43","0.05","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0431","0.0402","","","0.1131","0.1161","","","","","","1.039","","","","has coordinates","193306","2020-10-21","18:00:00",""
"4032524","13.3138","0.0014","18.7196","0.0019","4.0464","0.0005","90","","90","","90","","1008.48","0.19","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.34139","GaKα","","0.059","0.0542","","","0.1391","0.1461","","","","","","1.094","","","","has coordinates","197323","2020-10-21","18:00:00",""
"4032620","20.7707","0.0001","12.2277","0.0001","15.6407","0.0001","90","","90","","90","","3972.39","0.05","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H39 N5 O2 S2 Zn -","- C47 H39 N5 O2 S2 Zn -","- C188 H156 N20 O8 S8 Zn4 -","4","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.5418","CuKα","","0.0269","0.0254","","0.0678","0.0652","0.0678","","","","","","1.0008","","","","has coordinates,has disorder","198584","2020-10-21","18:00:00",""
"4032670","17.1576","0.0006","12.2955","0.0006","3.8213","0.0002","90","","90","","90","","806.15","0.06","150","","150","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0338","0.0323","","0.0619","0.0605","0.0619","","","","","","1","","","","has coordinates","199582","2020-10-21","18:00:00",""
"4032712","17.5747","0.0007","9.0437","0.0004","22.3355","0.0011","90","","90","","90","","3550","0.3","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H14 I N O -","- C22 H14 I N O -","- C176 H112 I8 N8 O8 -","8","2","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0488","0.0331","","","0.0753","0.0857","","","","","","1.085","","","","has coordinates","200292","2020-10-21","18:00:00",""
"4032784","21.142","0.002","4.242","0.0004","10.6198","0.001","90","","90","","90","","952.43","0.16","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","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","","0.0333","0.0324","","","0.0788","0.0793","","","","","","1.171","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032786","8.9557","0.0003","26.4849","0.001","4.792","0.0002","90","","90","","90","","1136.62","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","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","","0.0496","0.0445","","","0.109","0.1114","","","","","","1.073","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032933","7.787","0.0009","9.1541","0.001","21.398","0.002","90","","90","","90","","1525.3","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Sandridge, Matthew J.; McLarney, Brett D.; Williams, Corey W.; France, Stefan","α-Alkylidene-γ-butyrolactone Formation via Bi(OTf)3-Catalyzed, Dehydrative, Ring-Opening Cyclizations of Cyclopropyl Carbinols: Understanding Substituent Effects and Predicting E/Z Selectivity.","The Journal of organic chemistry","2017","82","20","10883","10897","10.1021/acs.joc.7b01706","","","0.71073","MoKα","","0.0386","0.0366","","","0.0912","0.0935","","","","","","1.059","","","","has coordinates","202718","2020-10-21","18:00:00",""
"4032988","11.726","0.006","25.881","0.012","6.436","0.003","90","","90","","90","","1953.2","1.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H24 F N O3 S -","- C22 H24 F N O3 S -","- C88 H96 F4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0681","0.0467","","","0.1125","0.1282","","","","","","0.873","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4033138","5.222","0.003","15.414","0.009","16.654","0.009","90","","90","","90","","1340.5","1.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","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","","0.039","0.0365","","","0.0958","0.0985","","","","","","1.067","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033188","13.4732","0.0005","14.8888","0.0006","9.621","0.0004","90","","90","","90","","1929.97","0.13","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H21 N O S -","- C25 H21 N O S -","- C100 H84 N4 O4 S4 -","4","1","","Gao, Wen-Chao; Liu, Tao; Cheng, Yu-Fei; Chang, Hong-Hong; Li, Xing; Zhou, Rong; Wei, Wen-Long; Qiao, Yan","AlCl3-Catalyzed Intramolecular Cyclization of N-Arylpropynamides with N-Sulfanylsuccinimides: Divergent Synthesis of 3-Sulfenyl Quinolin-2-ones and Azaspiro[4,5]trienones.","The Journal of organic chemistry","2017","82","24","13459","13467","10.1021/acs.joc.7b02498","","","0.71073","MoKα","","0.0664","0.0422","","","0.0832","0.0926","","","","","","1.031","","","","has coordinates","204811","2020-10-21","18:00:00",""
"4033213","21.8784","0.0019","16.5957","0.0014","9.1581","0.0007","90","","90","","90","","3325.2","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H33 N3 O4 -","- C41 H33 N3 O4 -","- C164 H132 N12 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.136","0.0537","","","0.0915","0.1112","","","","","","1.01","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033218","15.6205","0.0014","11.6653","0.0009","16.5056","0.0014","90","","90","","90","","3007.6","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H37 Cl N2 O3 -","- C36 H37 Cl N2 O3 -","- C144 H148 Cl4 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1029","0.0573","","","0.1326","0.1499","","","","","","1.019","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033575","21.926","0.006","13.671","0.008","6.722","0.001","90","","90","","90","","2014.9","1.3","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C18 H18 N6 O5.5 -","- C18 H18 N6 O5.5 -","- C72 H72 N24 O22 -","4","1","","Picón-Ferrer, Inmaculada; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Martínez-Martos, José M; Ramírez-Expósito, María J; Moreno-Carretero, Miguel N","Chloro-fac-tricarbonylrhenium(I) complexes of asymmetric azines derived from 6-acetyl-1,3,7-trimethylpteridine-2,4(1H,3H)-dione with hydrazine and aromatic aldehydes: preparation, structural characterization and biological activity against several human tumor cell lines.","Journal of inorganic biochemistry","2009","103","1","94","100","10.1016/j.jinorgbio.2008.09.014","","x-ray","0.71073","MoKα","","0.1652","0.0706","","","0.1854","0.247","","","","11.802","11.802","1.043","","","","has coordinates","207920","2020-10-21","18:00:00",""
"4033663","23.7223","0.0016","11.0633","0.0008","10.7204","0.0009","90","","90","","90","","2813.5","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H30 F3 N3 O5 S2 -","- C26 H30 F3 N3 O5 S2 -","- C104 H120 F12 N12 O20 S8 -","4","1","","Srinivasulu, Vunnam; Khanfar, Monther A. A.; Omar, Hany A.; ElAwady, Raafat; Sieburth, Scott McN; Sebastian, Anusha; Zaher, Dana M.; Al Marzooq, Farah; Hersi, Fatema; Al-Tel, Taleb H","Sequencing [4+1]-Cycloaddition and Aza-Michael Addition Reactions: A Diastereoselective Cascade for the Rapid Access of Pyrido[2',1':2,3]/Thiazolo[2',3':2,3]imidazo[1,5-a]quinolone Scaffolds as Potential Antibacterial and Anticancer Motifs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01919","","x-ray","0.71073","MoKα","","0.1009","0.0767","","","0.1881","0.2183","","","","","","1.051","","","","has coordinates","220606","2020-10-21","18:00:00",""
"4033751","7.5827","0.0012","18.634","0.003","11.1673","0.0018","90","","90","","90","","1577.9","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Wang, Quannan; Lou, Jiang; Huang, Zilong; Yu, Zhengkun","Rhodium(III)-Catalyzed Annulation of Acetophenone O-Acetyl Oximes with Allenoates through Arene C-H Activation: An Access to Isoquinolines.","The Journal of organic chemistry","2019","84","4","2083","2092","10.1021/acs.joc.8b03092","","","0.71073","MoKα","","0.1038","0.0663","","","0.182","0.2208","","","","","","1.027","","","","has coordinates,has disorder","222326","2020-10-21","18:00:00",""
"4033778","7.6472","0.0002","13.1667","0.0004","20.5771","0.0007","90","","90","","90","","2071.88","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 F3 N3 O -","- C25 H18 F3 N3 O -","- C100 H72 F12 N12 O4 -","4","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Ponomarev, Alexander V.; Balova, Irina A.","1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles.","The Journal of organic chemistry","2019","84","4","1925","1940","10.1021/acs.joc.8b02916","","x-ray","1.54184","CuKα","","0.0451","0.0396","","","0.1014","0.1042","","","","","","1.053","","","","has coordinates","222353","2020-10-21","18:00:00",""
"4033832","7.3105","0.0006","19.3271","0.0015","15.1127","0.001","90","","90","","90","","2135.3","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Nitisha, ?; Venkatakrishnan, Parthasarathy","Accessing [<i>g</i>]-Face π-Expanded Fluorescent Coumarins by Scholl Cyclization.","The Journal of organic chemistry","2019","84","17","10679","10689","10.1021/acs.joc.9b01223","","","0.71073","MoKα","","0.0797","0.0558","","","0.1451","0.1565","","","","","","1.152","","","","has coordinates","222407","2020-10-21","18:00:00",""
"4033865","18.76631","0.00012","14.88559","0.00011","7.88336","0.00007","90","","90","","90","","2202.2","0.03","150","","150","","","","","","","","from U of Wollongong","5","P n a 21","P 2c -2n","33","","","","- C27 H21 Cl N2 O3 -","- C27 H21 Cl N2 O3 -","- C108 H84 Cl4 N8 O12 -","4","1","","Butler, Nicholas M.; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Desymmetrization Reactions of Indigo with Grignard Reagents for the Synthesis of Selective Antiplasmodial [1<i>H</i>,3'<i>H</i>]-3-Aryl-2,2'-diindol-3'-ones.","The Journal of organic chemistry","2019","84","17","11228","11239","10.1021/acs.joc.9b01442","","x-ray","1.54184","CuKα","","0.0331","0.0329","","0.0897","0.0895","0.0897","","","","","","1.0061","","","","has coordinates","222442","2020-10-21","18:00:00",""
"4033936","6.7921","0.0004","24.5033","0.0012","10.1829","0.0004","90","","90","","90","","1694.73","0.15","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H7 Cl O3 -","- C9 H7 Cl O3 -","- C72 H56 Cl8 O24 -","8","2","","Gholap, Sachin P.; Jangid, Dashrath; Fernandes, Rodney A.","Metal-Free Brønsted Acid-Catalyzed Rearrangement of δ-Hydroxyalkynones to 2,3-Dihydro-4 H-pyran-4-ones: Total Synthesis of Obolactone and a Catechol Pyran Isolated from Plectranthus sylvestris.","The Journal of organic chemistry","2019","84","6","3537","3551","10.1021/acs.joc.8b03141","","x-ray","0.71073","MoKα","","0.063","0.0498","","","0.1118","0.1231","","","","","","1.061","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034013","17.027","0.0004","7.4312","0.00016","6.8749","0.00014","90","","90","","90","","869.89","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H10 N2 O2 S -","- C7 H10 N2 O2 S -","- C28 H40 N8 O8 S4 -","4","1","","Mamidala, Ramesh; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh; Venkatasubbaiah, Krishnan","Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol.","The Journal of organic chemistry","2019","84","16","10472","10480","10.1021/acs.joc.9b00983","","x-ray","1.54184","CuKα","","0.0348","0.0318","","","0.0783","0.0799","","","","","","1.071","","","","has coordinates","222572","2020-10-21","18:00:00",""
"4034099","7.0781","0.0001","7.4819","0.0001","27.9855","0.0003","90","","90","","90","","1482.05","0.03","293","2","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H10 Cl2 O -","- C19 H10 Cl2 O -","- C76 H40 Cl8 O4 -","4","1","","Wang, Yi-Feng; Xu, Wen-Gang; Sun, Bing; Yu, Qin-Qin; Li, Tuan-Jie; Zhang, Fang-Lin","Monodentate Transient Directing Group Assisted Pd-Catalyzed Direct Dehydrogenative Cross-Coupling of Benzaldehydes with Arenes toward 9-Fluorenones.","The Journal of organic chemistry","2019","84","20","13104","13111","10.1021/acs.joc.9b02139","","x-ray","1.54184","CuKα","","0.028","0.0273","","","0.0737","0.0745","","","","","","1.046","","","","has coordinates","222655","2020-10-21","18:00:00",""
"4034149","10.9214","0.0003","12.1231","0.0004","13.9512","0.0004","90","","90","","90","","1847.16","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H17 F3 O4 S2 -","- C18 H17 F3 O4 S2 -","- C72 H68 F12 O16 S8 -","4","1","","Chandu, Palasetty; Ghosh, Krishna Gopal; Sureshkumar, Devarajulu","Metal-Free Visible-Light-Promoted Trifluoromethylation of Vinylcyclopropanes Using Pyrylium Salt as a Photoredox Catalyst.","The Journal of organic chemistry","2019","84","13","8771","8781","10.1021/acs.joc.9b01033","","x-ray","0.71073","MoKα","","0.0331","0.0326","","","0.0913","0.0918","","","","","","1.099","","","","has coordinates","222707","2020-10-21","18:00:00",""
"4034159","14.418","0.004","18.761","0.006","6.767","0.002","90","","90","","90","","1830.4","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","1","","Liu, Jian-Quan; Chen, Xinyi; Shatskiy, Andrey; Kärkäs, Markus D; Wang, Xiang-Shan","Silver-Mediated Synthesis of Substituted Benzofuran- and Indole-Pyrroles via Sequential Reaction of <i>ortho</i>-Alkynylaromatics with Methylene Isocyanides.","The Journal of organic chemistry","2019","84","14","8998","9006","10.1021/acs.joc.9b00528","","","0.71073","MoKα","","0.0519","0.0416","","","0.0919","0.096","","","","","","1.069","","","","has coordinates","222710","2020-10-21","18:00:00",""
"4034194","16.601","0.003","12.379","0.003","5.5695","0.0011","90","","90","","90","","1144.6","0.4","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 S -","- C14 H10 N2 S -","- C56 H40 N8 S4 -","4","1","","Bandaru, Siva Sankar Murthy; Bhilare, Shatrughn; Cardozo, Jesvita; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Gunturu, Krishna Chaitanya; Kapdi, Anant R.","Pd/PTABS: Low-Temperature Thioetherification of Chloro(hetero)arenes.","The Journal of organic chemistry","2019","84","14","8921","8940","10.1021/acs.joc.9b00840","","","0.71073","MoKα","","0.0635","0.0402","","","0.0848","0.1031","","","","","","1.094","","","","has coordinates","222736","2020-10-21","18:00:00",""
"4034288","25.208","0.002","16.8924","0.0013","26.912","0.002","90","","90","","90","","11459.8","1.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C114 H162 Cl6 N10 O13 -","- C114 H162 Cl6 N10 O13 -","- C456 H648 Cl24 N40 O52 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.","The Journal of organic chemistry","2019","84","7","4050","4057","10.1021/acs.joc.9b00042","","","0.71073","MoKα","","0.0921","0.0783","","","0.2126","0.2297","","","","","","1.061","","","","has coordinates,has disorder","222831","2020-10-21","18:00:00",""
"4034522","24.981","0.005","7.1333","0.0013","12.15","0.002","90","","90","","90","","2165.1","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H18 Cl N O -","- C10 H18 Cl N O -","- C80 H144 Cl8 N8 O8 -","8","2","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.1006","0.0677","","","0.1717","0.1958","","","","","","1.051","","","","has coordinates","223027","2020-10-21","18:00:00",""
"4034562","22.6911","0.0013","20.5795","0.0009","8.1911","0.0004","90","","90","","90","","3825","0.3","293.9","0.4","293.9","0.4","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C200 H144 N16 O8 S8 -","8","2","","Daniels, Mathias; de Jong, Flip; Vandermeeren, Tom; Van Meervelt, Luc; Van der Auweraer, Mark; Dehaen, Wim","Bay-Substituted Thiaza[5]helicenes: Synthesis and Implications on Structural and Spectroscopic Properties.","The Journal of organic chemistry","2019","84","21","13528","13539","10.1021/acs.joc.9b01793","","x-ray","0.71073","MoKα","","0.0981","0.0603","","","0.1343","0.1553","","","","","","1.044","","","","has coordinates","223057","2020-10-21","18:00:00",""
"4034652","8.433","0.0005","10.8448","0.0006","12.9749","0.0008","90","","90","","90","","1186.61","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Kumar, Manoj; Verma, Shalini; Mishra, Pawan K.; Verma, Akhilesh K.","Cu(II)-Mediated Ortho-C-H Amination of Arenes with Free Amines.","The Journal of organic chemistry","2019","84","12","8067","8079","10.1021/acs.joc.9b00931","","","0.71073","MoKα","","0.0474","0.0379","","","0.085","0.0904","","","","","","0.914","","","","has coordinates","223129","2020-10-21","18:00:00",""
"4034680","30.464","0.003","10.2578","0.0011","10.0765","0.001","90","","90","","90","","3148.8","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C65 H8 O2 -","- C65 H8 O2 -","- C260 H32 O8 -","4","1","","Li, Dan; Li, Zong-Jun; He, Fa-Gui; Geng, Chao; Gao, Xiang","Synthesizing 1,23-C60 Adducts with Improved Efficiency: A Type of Stable and Highly Soluble C60 Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02272","","","0.71073","MoKα","","0.1386","0.0533","","","0.1023","0.1323","","","","","","0.733","","","","has coordinates","223264","2020-10-21","18:00:00",""
"4034842","7.7883","0.0004","11.6157","0.0006","18.1845","0.001","90","","90","","90","","1645.09","0.15","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","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","","0.0606","0.0447","","","0.0948","0.1014","","","","","","1.055","","","","has coordinates","226362","2020-10-21","18:00:00",""
"4034860","8.4239","0.0004","16.551","0.0007","7.518","0.0003","90","","90","","90","","1048.19","0.08","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C9 H11 Cl3 O -","- C9 H11 Cl3 O -","- C36 H44 Cl12 O4 -","4","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","","0.71073","MoKα","","0.0251","0.0218","","0.0281","0.0263","0.0263","","","","","","1.1034","","","","has coordinates","226380","2020-10-21","18:00:00",""
"4034905","12.6198","0.0004","13.9656","0.0004","9.6933","0.0003","90","","90","","90","","1708.38","0.09","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H28 B F3 N2 -","- C15 H28 B F3 N2 -","- C60 H112 B4 F12 N8 -","4","1","","Mir, Roya; Dudding, Travis","Bis(amino)cyclopropenium Trifluoroborates: Synthesis, Hydrolytic Stability Studies, and DFT Insights.","The Journal of organic chemistry","2018","83","8","4384","4388","10.1021/acs.joc.8b00060","","","0.71073","MoKα","","0.048","0.0401","","","0.1043","0.1088","","","","","","1.051","","","","has coordinates","226421","2020-10-21","18:00:00",""
"4034949","32.259","0.006","7.365","0.002","6.107","0.002","90","","90","","90","","1450.9","0.7","170","","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Taimoory, S. Maryamdokht; Sadraei, S. Iraj; Fayoumi, Rose Anne; Nasri, Sarah; Revington, Matthew; Trant, John F.","Preparation and Characterization of a Small Library of Thermally-Labile End-Caps for Variable-Temperature Triggering of Self-Immolative Polymers.","The Journal of organic chemistry","2018","83","8","4427","4440","10.1021/acs.joc.8b00135","","","0.71076","MoKα","","0.03","0.0292","","","0.075","0.0755","","","","","","1.073","","","","has coordinates","226459","2020-10-21","18:00:00",""
"4035105","7.5688","0.0006","16.8412","0.0015","9.6681","0.0008","90","","90","","90","","1232.37","0.18","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","yazh-K131","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0859","0.0752","","","0.2023","0.213","","","","","","1.111","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035111","16.0527","0.0009","8.4274","0.0004","5.919","0.0003","90","","90","","90","","800.74","0.07","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.","Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.","The Journal of organic chemistry","2018","83","17","10070","10079","10.1021/acs.joc.8b01392","","","1.54178","CuKα","","0.0413","0.0411","","","0.1038","0.1041","","","","","","1.076","","","","has coordinates","226597","2020-10-21","18:00:00",""
"4035207","12.9433","0.0008","25.6688","0.0019","7.8534","0.0005","90","","90","","90","","2609.2","0.3","150","2","150","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C32 H31 N3 O2 -","- C32 H31 N3 O2 -","- C128 H124 N12 O8 -","4","1","","Fecková, Michaela; le Poul, Pascal; Guen, Françoise Robin-le; Roisnel, Thierry; Pytela, Oldřich; Klikar, Milan; Bureš, Filip; Achelle, Sylvain","2,4-Distyryl- and 2,4,6-Tristyrylpyrimidines: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","11712","11726","10.1021/acs.joc.8b01653","","x-ray","0.71073","MoKα","","0.0712","0.0559","","","0.1368","0.1435","","","","","","1.092","","","","has coordinates,has disorder","226685","2020-10-21","18:00:00",""
"4035253","33.109","0.0015","10.3694","0.0005","5.8127","0.0003","90","","90","","90","","1995.62","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H19 I N2 O5 S -","- C20 H19 I N2 O5 S -","- C80 H76 I4 N8 O20 S4 -","4","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.042","0.0343","","","0.0606","0.0625","","","","","","1.136","","","","has coordinates","226719","2020-10-21","18:00:00",""
"4035295","18.3046","0.0018","13.3125","0.0013","4.6946","0.0005","90","","90","","90","","1144","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Festa, Alexey A.; Zalte, Rajesh R.; Golantsov, Nikita E.; Varlamov, Alexey V.; Van der Eycken, Erik V.; Voskressensky, Leonid G.","DBU-Catalyzed Alkyne-Imidate Cyclization toward 1-Alkoxypyrazino[1,2- a]indole Synthesis.","The Journal of organic chemistry","2018","83","16","9305","9311","10.1021/acs.joc.8b01279","","","0.71073","MoKα","","0.0595","0.0456","","","0.1009","0.1097","","","","","","1.033","","","","has coordinates","226759","2020-10-21","18:00:00",""
"4035377","15.1873","0.0002","8.41771","0.00012","39.3945","0.0007","90","","90","","90","","5036.28","0.13","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H23 N O4 S2 -","- C33 H23 N O4 S2 -","- C264 H184 N8 O32 S16 -","8","2","","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","1.54184","CuKα","","0.0443","0.0417","","","0.1058","0.1073","","","","","","1.151","","","","has coordinates","226834","2020-10-21","18:00:00",""
"4035387","11.7016","0.0001","32.0199","0.0004","6.8655","0.0001","90","","90","","90","","2572.39","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H35 I N2 O2 -","- C23 H35 I N2 O2 -","- C92 H140 I4 N8 O8 -","4","1","","Hong, Mannkyu; Kim, Yoseph; Kim, Hyejin; Cho, Hee Jin; Baik, Mu-Hyun; Kim, Youngjo","Scorpionate Catalysts for Coupling CO<sub>2</sub> and Epoxides to Cyclic Carbonates: A Rational Design Approach for Organocatalysts.","The Journal of organic chemistry","2018","83","16","9370","9380","10.1021/acs.joc.8b00722","","","0.71073","MoKα","","0.0443","0.0362","","","0.125","0.1306","","","","","","1.008","","","","has coordinates","226844","2020-10-21","18:00:00",""
"4035436","19.3123","0.0006","11.7684","0.0004","10.9877","0.0004","90","","90","","90","","2497.23","0.15","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H40 O3 Si2 -","- C22 H40 O3 Si2 -","- C88 H160 O12 Si8 -","4","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0577","0.0439","","","0.0991","0.1068","","","","","","1.027","","","","has coordinates","226894","2020-10-21","18:00:00",""
"4035482","27.213","0.004","7.7759","0.0012","6.5598","0.001","90","","90","","90","","1388.1","0.4","297","2","297","2","","","","","","","","3","P n a 21","P 2c -2n","33","","'2-O-(4-toluoyl)myo-inositol 1,3,5-orthoformate'","","- C15 H16 O7 -","- C15 H16 O7 -","- C60 H64 O28 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.031","0.0293","","","0.0794","0.0808","","","","","","1.043","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035515","10.53852","0.00015","11.82433","0.00016","14.4092","0.0002","90","","90","","90","","1795.54","0.04","291","2","291.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Weng, Yunxiang; Kuai, Changsheng; Lv, Weiwei; Cheng, Guolin","Synthesis of 2-Aminopyridines via a Base-Promoted Cascade Reaction of N-Propargylic β-Enaminones with Formamides.","The Journal of organic chemistry","2018","83","9","5002","5008","10.1021/acs.joc.8b00128","","","1.54184","CuKα","","0.0351","0.0331","","","0.0841","0.0857","","","","","","1.071","","","","has coordinates","226963","2020-10-21","18:00:00",""
"4035524","37.707","0.004","6.6383","0.0007","24.854","0.003","90","","90","","90","","6221.2","1.2","103","2","103","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 N4 -","- C19 H20 N4 -","- C304 H320 N64 -","16","4","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0767","0.0536","","","0.1186","0.1315","","","","","","1.023","","","","has coordinates","226972","2020-10-21","18:00:00",""
"4035646","11.91","0.04","4.681","0.013","20.27","0.06","90","","90","","90","","1130","6","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","S-(4-chlorobenzyl) dimethylcarbamothioate","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0451","0.0373","","","0.0799","0.084","","","","","","1.048","","","","has coordinates","227095","2020-10-21","18:00:00",""
"4035664","14.266","0.002","7.0245","0.0011","7.9744","0.0013","90","","90","","90","","799.1","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H9 Cl F3 N -","- C6 H9 Cl F3 N -","- C24 H36 Cl4 F12 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0328","0.028","","","0.0631","0.0648","","","","","","1.065","","","","has coordinates","227112","2020-10-21","18:00:00",""
"4035883","16.8548","0.0008","12.1664","0.0006","5.1458","0.0002","90","","90","","90","","1055.21","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.0361","0.0339","","","0.0856","0.0871","","","","","","1.119","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4035888","7.4945","0.0009","29.594","0.004","5.8859","0.0007","90","","90","","90","","1305.4","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H9 F2 N O2 -","- C18 H9 F2 N O2 -","- C72 H36 F8 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Temperature-Controlled Desulfonylative Condensation of α-Sulfonyl o-Hydroxyacetophenones and 2-Formyl Azaarenes: Synthesis of Azaaryl Aurones and Flavones.","The Journal of organic chemistry","2019","84","1","326","337","10.1021/acs.joc.8b02857","","","0.71073","MoKα","","0.035","0.0328","","","0.0861","0.0872","","","","","","1.129","","","","has coordinates","227291","2020-10-21","18:00:00",""
"4036105","11.3909","0.0008","12.0108","0.0008","30.282","0.002","90","","90","","90","","4143","0.5","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H18 N6 -","- C26 H18 N6 -","- C208 H144 N48 -","8","2","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","","","0.0929","0.0615","","","0.1366","0.1556","","","","","","1.11","","","","has coordinates","234250","2020-10-21","18:00:00",""
"4036305","10.0933","0.0006","8.9883","0.0005","12.7337","0.0008","90","","90","","90","","1155.22","0.12","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-Phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxamide","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","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~","0.0333","0.0321","","","0.0853","0.0869","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036432","9.624","0.003","24.158","0.008","10.334","0.003","90","","90","","90","","2402.6","1.3","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H30 N2 S -","- C31 H30 N2 S -","- C124 H120 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0999","0.0648","","","0.1061","0.1194","","","","","","1.082","","","","has coordinates","234684","2020-10-21","18:00:00",""
"4036465","13.442","0.002","33.697","0.006","3.8454","0.0006","90","","90","","90","","1741.8","0.5","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C29 H18 -","- C29 H18 -","- C116 H72 -","4","1","","Lee, Che-Wei; Liu, En-Chih; Wu, Yao-Ting","Palladium-Catalyzed Reaction of Haloarenes with Diarylethynes: Synthesis, Structural Analysis, and Properties of Methylene-Bridged Arenes.","The Journal of organic chemistry","2015","80","21","10446","10456","10.1021/acs.joc.5b02111","","","0.71073","MoKα","","0.0686","0.0572","","","0.1203","0.1244","","","","","","1.148","","","","has coordinates","234729","2020-10-21","18:00:00",""
"4036485","13.8969","0.0012","7.9974","0.0007","21.6888","0.0019","90","","90","","90","","2410.5","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H25 N O S -","- C33 H25 N O S -","- C132 H100 N4 O4 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0755","0.0749","","","0.1921","0.1933","","","","","","1.034","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036509","18.2405","0.0008","7.4669","0.0004","27.6578","0.0012","90","","90","","90","","3767","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1'-Biphenyl-2,2'-diamine diisobutyramide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C160 H192 N16 O16 -","8","2","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0973","0.0682","","","0.1686","0.1913","","","","","","0.975","","","","has coordinates","276330","2022-06-28","15:14:20",""
"4036640","11.4121","0.0003","16.6843","0.0005","4.8996","0.0002","90","","90","","90","","932.9","0.05","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 O Te2 -","- C8 H7 O Te2 -","- C32 H28 O4 Te8 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54178","CuKα","","0.1006","0.0917","","","0.2452","0.2531","","","","","","1.141","","","","has coordinates","235012","2020-10-21","18:00:00",""
"4036832","15.998","0.003","11.382","0.002","9.0299","0.0011","90","","90","","90","","1644.2","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(5R*,6R*)-6-((R*)-1-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H20 N2 O3 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","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","","0.0748","0.0426","","","0.061","0.065","","","","","","1.026","","","","has coordinates","235304","2020-10-21","18:00:00",""
"4036853","12.5422","0.0005","15.4562","0.0006","16.4857","0.0006","90","","90","","90","","3195.8","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N O3 -","- C19 H20.5 N O3 -","- C152 H164 N8 O24 -","8","2","","Markad, Shivaji B.; Argade, Narshinha P.","Biomimetic Collective Total Synthesis of Bioactive Carbazole Alkaloids Indizoline, Mafaicheenamine A, Claulamine A, Claulansine A, and the Proposed Claulamine E.","The Journal of organic chemistry","2016","81","12","5222","5227","10.1021/acs.joc.6b00702","","","0.71073","MoKα","","0.1064","0.0863","","","0.2109","0.229","","","","","","1.033","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4036856","14.265","0.003","13.867","0.003","9.5232","0.0019","90","","90","","90","","1883.8","0.7","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H26 I N O2 S -","- C17 H26 I N O2 S -","- C68 H104 I4 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming","Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction.","The Journal of organic chemistry","2016","81","12","5144","5161","10.1021/acs.joc.6b00725","","","0.71073","MoKα","","0.047","0.0394","","","0.0918","0.0974","","","","","","1.081","","","","has coordinates","235341","2020-10-21","18:00:00",""
"4036908","13.3649","0.0019","28.6","0.003","7.4174","0.0011","90","","90","","90","","2835.2","0.7","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H10 Br2 -","- C18 H10 Br2 -","- C144 H80 Br16 -","8","2","","Wang, Jianbo; Yao, Jinzhong; Wang, Hailong; Chen, Hao; Dong, Jingcheng; Zhou, Hongwei","One-Pot Synthesis of Tetraphene and Construction of Expanded Conjugated Aromatics.","The Journal of organic chemistry","2016","81","12","5250","5255","10.1021/acs.joc.6b00890","","","0.71073","MoKα","","0.2003","0.1149","","","0.2679","0.3118","","","","","","1.034","","","","has coordinates","235396","2020-10-21","18:00:00",""
"4037118","18.373","0.0008","14.1963","0.0006","6.1767","0.0003","90","","90","","90","","1611.06","0.13","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","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","","0.0422","0.0404","","","0.1012","0.1024","","","","","","1.046","","","","has coordinates","235683","2020-10-21","18:00:00",""
"4037145","24.739","0.002","6.5307","0.0006","22.413","0.002","90","","90","","90","","3621.1","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 Cl N O3 -","- C22 H18 Cl N O3 -","- C176 H144 Cl8 N8 O24 -","8","2","","Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong","N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles.","The Journal of organic chemistry","2016","81","19","8888","8899","10.1021/acs.joc.6b01596","","","0.71073","MoKα","","0.1455","0.0578","","","0.1214","0.165","","","","","","0.944","","","","has coordinates","235713","2020-10-21","18:00:00",""
"4037150","16.3707","0.0004","9.479","0.0002","11.3192","0.0003","90","","90","","90","","1756.49","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","Dorel, Ruth; Echavarren, Antonio M.","Ready Access to the Echinopines Skeleton via Gold(I)-Catalyzed Alkoxycyclizations of Enynes.","The Journal of organic chemistry","2016","81","18","8444","8454","10.1021/acs.joc.6b01607","","","0.7107","MoKα","","0.0355","0.0324","","","0.0866","0.088","","","","","","1.073","","","","has coordinates","235720","2020-10-21","18:00:00",""
"4037202","9.49728","0.00011","21.3932","0.0002","6.35861","0.00009","90","","90","","90","","1291.92","0.03","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H16 N4 O4 -","- C10 H16 N4 O4 -","- C40 H64 N16 O16 -","4","1","","Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.","Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.","The Journal of organic chemistry","2016","81","19","9138","9146","10.1021/acs.joc.6b01705","","","1.54178","CuKα","","0.0289","0.0283","","","0.0757","0.0763","","","","","","1.046","","","","has coordinates","235794","2020-10-21","18:00:00",""
"4037228","14.4232","0.0008","10.4715","0.0007","17.3666","0.0013","90","","90","","90","","2622.9","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H15 N -","- C18 H15 N -","- C144 H120 N8 -","8","2","","Yang, Ziqi; Lu, Ning; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Duan, Haifeng; Lin, Yingjie","Base-Promoted Intermolecular Cyclization of Substituted 3-Aryl(Heteroaryl)-3-chloroacrylaldehydes and Tetrahydroisoquinolines: An Approach to Access Pyrrolo[2,1-a]isoquinolines.","The Journal of organic chemistry","2016","81","23","11950","11955","10.1021/acs.joc.6b01781","","","0.71073","MoKα","","0.0519","0.0364","","","0.0891","0.0987","","","","","","1.055","","","","has coordinates,has disorder","235831","2020-10-21","18:00:00",""
"4037241","6.727","0.009","23.55","0.03","9.86","0.013","90","","90","","90","","1562","4","98","","98","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Marichev, Kostiantyn O.; Qiu, Huang; Offield, Austin C.; Arman, Hadi; Doyle, Michael P.","Catalyst-Free Rearrangement of Allenyl Aryldiazoacetates into 1,5-Dihydro-4H-pyrazol-4-ones.","The Journal of organic chemistry","2016","81","19","9235","9246","10.1021/acs.joc.6b01833","","","0.71075","MoKα","","0.1259","0.09","","","0.1652","0.1984","","","","","","1.039","","","","has coordinates","235854","2020-10-21","18:00:00",""
"4037273","20.849","0.002","6.117","0.0006","20.0741","0.0013","90","","90","","90","","2560.1","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H26 N2 O3 S2 -","- C28 H26 N2 O3 S2 -","- C112 H104 N8 O12 S8 -","4","1","","Chen, Zhiyuan; Huang, Jiapian; Wang, Zhijie","Transition-Metal-Catalyzed Hydrosulfoximination and Oxidation Reaction for the Synthesis of Sulfoximine Derivatives.","The Journal of organic chemistry","2016","81","19","9308","9314","10.1021/acs.joc.6b01891","","","0.71073","MoKα","","0.0754","0.0686","","","0.1211","0.1239","","","","","","1.004","","","","has coordinates","235886","2020-10-21","18:00:00",""
"4037337","12.1383","0.0002","18.1897","0.0004","7.0365","0.0002","90","","90","","90","","1553.6","0.06","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Ku, Angela F.; Cuny, Gregory D.","Access to 6a-Alkyl Aporphines: Synthesis of (±)-N-Methylguattescidine.","The Journal of organic chemistry","2016","81","20","10062","10070","10.1021/acs.joc.6b02024","","","1.54178","CuKα","","0.0205","0.0203","","","0.0537","0.0541","","","","","","1.061","","","","has coordinates","235977","2020-10-21","18:00:00",""
"4037389","18.523","0.005","14.642","0.004","5.1195","0.0015","90","","90","","90","","1388.5","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H11 Br N2 -","- C17 H11 Br N2 -","- C68 H44 Br4 N8 -","4","1","","Tan, Zhenda; Zhao, He; Zhou, Changjian; Jiang, Huanfeng; Zhang, Min","Aerobic Copper-Catalyzed Halocyclization of Methyl N-Heteroaromatics with Aliphatic Amines: Access to Functionalized Imidazo-Fused N-Heterocycles.","The Journal of organic chemistry","2016","81","20","9939","9946","10.1021/acs.joc.6b02117","","","0.71073","MoKα","","0.0927","0.053","","","0.1322","0.1622","","","","","","0.825","","","","has coordinates","236065","2020-10-21","18:00:00",""
"4037670","17.864","0.004","15.417","0.004","7.9315","0.0018","90","","90","","90","","2184.4","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H28 O7 S -","- C24 H28 O7 S -","- C96 H112 O28 S4 -","4","1","","Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin","Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH<sub>4</sub>OAc/PdCl<sub>2</sub>/CuCl<sub>2</sub>-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02387","","","0.71073","MoKα","","0.05","0.0416","","","0.0894","0.0925","","","","","","1.076","","","","has coordinates","245176","2020-10-21","18:00:00",""
"4037698","24.1977","0.0012","9.9696","0.0005","12.6028","0.0006","90","","90","","90","","3040.3","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 F3 O4 S -","- C16 H11 F3 O4 S -","- C128 H88 F24 O32 S8 -","8","2","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0574","0.0543","","","0.1316","0.1359","","","","","","1.039","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4037801","24.614","0.007","11.524","0.003","7.454","0.002","90","","90","","90","","2114.3","1","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H14 O6 S2 -","- C22 H14 O6 S2 -","- C88 H56 O24 S8 -","4","1","","Patel, Dinesh G.; Mitchell, Travis B.; Myers, Shea Douglas; Carter, Dorothy A.; Novak, Frank A.","A Suzuki Approach to Quinone Based Diarylethene Photochromes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02632","","","0.41328","synchrotron","","0.0569","0.0475","","","0.1155","0.1217","","","","","","1.057","","","","has coordinates","246784","2020-10-21","18:00:00",""
"4037845","9.9494","0.0007","9.2406","0.0006","21.1428","0.0013","90","","90","","90","","1943.8","0.2","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H21 B N2 O -","- C22 H21 B N2 O -","- C88 H84 B4 N8 O4 -","4","1","","Mao, Lujia; Li, Chunlei; Xiang, Libo; Fu, Dejun; Ma, Wangyang; Ye, Qing","Synthesis of Allenyl-Bdan via the Cu(I)-Catalyzed Borylation of Propargylic Alcohols with the Unsymmetric Diboron Reagent (Bpin-Bdan).","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03319","","","0.71073","MoKα","","0.0478","0.0374","","","0.0894","0.0966","","","","","","1.083","","","","has coordinates","247168","2020-10-21","18:00:00",""
"4037994","25.6923","0.0019","15.3296","0.0009","5.3503","0.0005","90","","90","","90","","2107.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","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","","0.1357","0.0665","","","0.1378","0.1684","","","","","","0.983","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4038056","7.789","0.004","10.907","0.006","20.566","0.013","90","","90","","90","","1747.2","1.7","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","oxa[5]helicene 1a","5-fluoro-2-phenylbenzo[5,6]phenanthro[4,3-b]furan","","- C26 H15 F O -","- C26 H15 F O -","- C104 H60 F4 O4 -","4","1","","Hoenig, Samuel M.; Yan, Youmian; Dougherty, Emily A.; Hudson, Reuben; Petovic, Sava; Lee, Christopher K.; Hu, Yusheng; Gomez, Lucas S.; Katz, Jeffrey L.","Convergent Strategy for the Synthesis of Oxa-, Thia-, and Selena[5]helicenes by Acetylene-Activated S<sub>N</sub>Ar Reactions.","The Journal of organic chemistry","2020","85","6","4553","4559","10.1021/acs.joc.0c00052","","","0.71073","MoKα","","0.0416","0.0372","","","0.1107","0.1164","","","","","","0.95","","","","has coordinates","250092","2020-10-21","18:00:00",""
"4038061","16.5513","0.0001","9.6657","0.0001","25.6444","0.0002","90","","90","","90","","4102.59","0.06","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H23 N7 O2 S -","- C19 H23 N7 O2 S -","- C152 H184 N56 O16 S8 -","8","2","","Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris","Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.","The Journal of organic chemistry","2020","85","7","4753","4771","10.1021/acs.joc.9b03518","","","1.54184","CuKα","","0.0378","0.037","","","0.0979","0.0987","","","","","","1.031","","","","has coordinates,has disorder","250112","2020-10-21","18:00:00",""
"4038121","17.395","0.008","9.112","0.004","10.203","0.003","90","","90","","90","","1617.2","1.1","100.01","","100.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H12 O4 -","- C23 H12 O4 -","- C92 H48 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0364","0.0342","","","0.0925","0.0944","","","","","","1.085","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038313","13.9604","0.0003","11.1296","0.0002","11.0998","0.0002","90","","90","","90","","1724.62","0.06","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Horwitz, Matthew A.; Robins, Jacob G.; Johnson, Jeffrey S.","De Novo Synthesis of the DEF-Ring Stereotriad Core of the Veratrum Alkaloids","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00685","","","1.54178","CuKα","","0.0558","0.0482","","0.1211","0.1158","0.1211","","","","","","1.0092","","","","has coordinates","251324","2020-10-21","18:00:00",""
"4038487","8.8967","0.0009","11.4613","0.001","30.389","0.003","90","","90","","90","","3098.7","0.5","190","2","190","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.114","0.0525","","","0.1232","0.1581","","","","","","0.912","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4038526","8.2618","0.0003","43.8957","0.0017","4.20886","0.00017","90","","90","","90","","1526.37","0.1","100","3","100","3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 I N O3 -","- C16 H16 I N O3 -","- C64 H64 I4 N4 O12 -","4","1","","Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.","Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00930","","x-ray","1.54184","CuKα","","0.0718","0.066","","","0.1788","0.1819","","","","","","1.138","","","","has coordinates","253455","2020-10-21","18:00:00",""
"4038561","8.285","0.003","14.446","0.005","12.198","0.004","90","","90","","90","","1459.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 S -","- C17 H13 N3 S -","- C68 H52 N12 S4 -","4","1","","Honnanayakanavar, Jyoti M.; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem Copper-Catalyzed Regioselective <i>N</i>-Arylation-Aza-Michael Addition: Synthesis of Tetracyclic 5<i>H</i>-Benzothiazolo[3,2-<i>a</i>]quinazoline Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00275","","","0.71073","MoKα","","0.0402","0.0337","","","0.1047","0.1103","","","","","","0.872","","","","has coordinates","254127","2020-10-21","18:00:00",""
"4038662","16.317","0.003","10.0485","0.0018","18.383","0.003","90","","90","","90","","3014.1","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H55 P Si4 -","- C26 H55 P Si4 -","- C104 H220 P4 Si16 -","4","1","","Hirakawa, Fumiya; Nakagawa, Hiroshi; Honda, Shunya; Ishida, Shintaro; Iwamoto, Takeaki","Trialkylphosphines Having a Bulky Phosphacyclopentane Backbone: Structural and Redox Properties Depending on the Exocyclic Alkyl Groups and EPR Observation of a Persistent Trialkylphosphine Radical Cation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01393","","","0.71073","MoKα","","0.0285","0.025","","","0.0586","0.0605","","","","","","1.033","","","","has coordinates","255188","2020-10-21","18:00:00",""
"4038669","13.5493","0.0005","14.2703","0.0003","6.6906","0.0002","90","","90","","90","","1293.64","0.07","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","","Langhals, Heinz; Dietl, Christian; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Chern, Yaw-Terng; Mayer, Peter","FRET in Orthogonal Stiff Dyads; Diamond-restriction for Frozen Vibrations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01184","","","0.71073","MoKα","","0.0435","0.0374","","","0.0933","0.0974","","","","","","1.082","","","","has coordinates","255221","2020-10-21","18:00:00",""
"4038697","12.0693","0.0008","10.9616","0.0008","29.0524","0.0019","90","","90","","90","","3843.6","0.5","146","2","146","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O2 Se -","- C21 H23 N O2 Se -","- C168 H184 N8 O16 Se8 -","8","2","","Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong","Silver-Catalyzed Remote C5-H Selenylation of Indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00921","","x-ray","0.71073","MoKα","","0.0677","0.0471","","","0.082","0.0911","","","","","","1.03","","","","has coordinates","255330","2020-10-21","18:00:00",""
"4038786","15.1594","0.0009","13.7549","0.0008","14.4974","0.0008","90","","90","","90","","3022.9","0.3","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H25 F N2 O6 S -","- C35 H25 F N2 O6 S -","- C140 H100 F4 N8 O24 S4 -","4","1","","Sun, Quan-Shun; Sun, Jing; Pan, Liu-Na; Yan, Chao-Guo","Selective Construction of Diverse Polycyclic Spirooxindoles via a Three-Component Reaction of Cyclic Mercapto-Substituted β-Enamino Esters, Isatins, and Cyclic 1,3-Diketones.","The Journal of organic chemistry","2020","85","19","12117","12127","10.1021/acs.joc.0c01290","","","0.71073","MoKα","","0.09","0.045","","","0.0772","0.0882","","","","","","1.034","","","","has coordinates","257146","2020-10-21","18:00:00",""
"4038803","21.6005","0.0007","9.3977","0.0003","18.9366","0.0007","90","","90","","90","","3844","0.2","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H40 N2 O4 S2 -","- C42 H42 N2 O4 S2 -","- C168 H168 N8 O16 S8 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","","1.54178","CuKα","","0.1025","0.0898","","","0.2087","0.2227","","","","","","1.457","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038806","13.6766","0.0014","12.8566","0.0013","11.474","0.0011","90","","90","","90","","2017.5","0.3","293","2","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H18 F N O2 S -","- C25 H18 F N O2 S -","- C100 H72 F4 N4 O8 S4 -","4","1","","Deng, Qingsong; Yu, Aimin; Zhou, Jie; Cao, Qin; Meng, Xiangtai","Construction of Benzothiophene or Benzothiopheno[2,3-<i>e</i>]azepinedione Derivatives via Three-Component Domino or One-Pot Sequences.","The Journal of organic chemistry","2020","85","19","12270","12283","10.1021/acs.joc.0c01505","","x-ray","0.71073","MoKα","","0.0883","0.0552","","","0.1235","0.1549","","","","","","1.083","","","","has coordinates","257144","2020-10-21","18:00:00",""
"4038820","6.165","0.003","17.073","0.009","12.098","0.007","90","","90","","90","","1273.4","1.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Pozharskii, Alexander F.; Dyablo, Olga V.; Pogosova, Olga G.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Vasilikhina, Kseniya M.; Dzhangiryan, Narek A.","Modeling Biologically Important NH···π Interactions Using <i>peri</i>-Disubstituted Naphthalenes.","The Journal of organic chemistry","2020","85","19","12468","12481","10.1021/acs.joc.0c01697","","","0.71073","MoKα","","0.1217","0.0607","","","0.1154","0.1414","","","","","","1.011","","","","has coordinates","257131","2020-10-21","18:00:00",""
"4038849","9.11","0.0008","10.547","0.0009","11.7739","0.0011","90","","90","","90","","1131.27","0.17","298","2","298.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Zhao, Yulei; Guo, Xuqiang; Si, Zhiyao; Hu, Yanan; Sun, Ying; Liu, Yunlin; Ji, Zhongyin; You, Jinmao","Hydrosilane-Assisted Synthesis of Urea Derivatives from CO<sub>2</sub> and Amines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02032","","","0.71073","MoKα","","0.1211","0.0506","","","0.1037","0.1346","","","","","","0.926","","","","has coordinates","256896","2020-10-21","18:00:00",""
"4038928","9.4467","0.0002","28.7768","0.0006","10.3242","0.0002","90","","90","","90","","2806.59","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H35 Cl2 N3 O4 -","- C29 H35 Cl2 N3 O4 -","- C116 H140 Cl8 N12 O16 -","4","1","","Blasco-Brusola, Alejandro; Vayá, Ignacio; Miranda, Miguel A.","Influence of the Linking Bridge on the Photoreactivity of Benzophenone-Thymine Conjugates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02088","","x-ray","1.54178","CuKα","","0.0605","0.0492","","","0.1261","0.1332","","","","","","1.033","","","","has coordinates,has disorder","258641","2020-10-30","00:22:54",""
"4039023","10.7151","0.001","7.784","0.0008","7.291","0.0008","90","","90","","90","","608.12","0.11","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","3,6-Diiminocyclohexa-1,4-diene-1,4-diamine","","- C6 H8 N4 -","- C6 H8 N4 -","- C24 H32 N16 -","4","1","","Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest","Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds","Journal of Organic Chemistry","2023","88","","16302","16314","10.1021/acs.joc.3c01793","","x-ray","1.54178","CuKα","","0.0676","0.0537","","","0.1456","0.1543","","","","","","1.228","","","","has coordinates,has Fobs","288035","2023-12-05","13:40:54",""
"4060084","18.119","0.0007","14.9011","0.0006","25.4867","0.001","90","","90","","90","","6881.2","0.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H42 Fe6 N O18 P3 S3 -","- C60 H42 Fe6 N O18 P3 S3 -","- C240 H168 Fe24 N4 O72 P12 S12 -","4","1","","","","Organometallics","2005","","","","","","","","0.71073","MoKα","","0.0915","0.0468","","","0.084","0.0918","","","","","","1","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060118","11.493","0.002","21.849","0.002","10.2545","0.0014","90","","90","","90","","2574.9","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H30 Au F6 N4 P -","- C22 H29 Au F6 N4 P -","- C88 H116 Au4 F24 N16 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049221u","","","0.71073","MoKα","","0.0549","0.0365","","0.0992","0.0886","","","","1.049","1.081","1.081","","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060217","12.8962","0.0014","8.3888","0.0009","11.6442","0.0013","90","","90","","90","","1259.7","0.2","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H2 Mn O4 -","- C6 H6 Mn3 O12 -","- C24 H24 Mn12 O48 -","4","1","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0473","0.044","","","0.1097","0.1118","","","","","","1.033","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060754","16.842","0.002","9.077","0.001","19.643","0.002","90","","90","","90","","3002.9","0.6","295","0.2","295","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H38 F6 O Os P2 -","- C29 H33 F6 O Os P2 -","- C116 H132 F24 O4 Os4 P8 -","4","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","","","0.71073","MoKα","","0.0485","0.034","","","0.0718","0.0788","","","","","","1.103","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00",""
"4060980","32.942","0.017","15.15","0.008","8.584","0.005","90","","90","","90","","4284","4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H26 B F4 O2 Rh -","- C20 H26 B F4 O2 Rh -","- C160 H208 B8 F32 O16 Rh8 -","8","2","","Haynes, Anthony; Haslam, Claire E.; Bonnington, Kevin J.; Parish, Louise; Adams, Harry; Spey, Sharon E.; Marder, Todd B.; Coventry, David N.","Facile Alkene Insertion into a Rhodium(III)‒Acetyl Bond: Potential Catalysts for CO/Alkene Copolymerization","Organometallics","2004","23","25","5907","5909","10.1021/om049258e","","","","","","","","","","","","","","","","","","","","","has coordinates","209968","2020-10-21","18:00:00",""
"4061060","25.529","0.005","15.742","0.003","21.491","0.004","90","","90","","90","","8636","2","155.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C90 H82 N8 P6 Pt4 -","- C90 H82 N8 P6 Pt4 -","- C360 H328 N32 P24 Pt16 -","4","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061143","10.369","0.0004","15.9375","0.0007","21.8263","0.0009","90","","90","","90","","3606.9","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H54 Cs O8 P -","- C34 H54 Cs O8 P -","- C136 H216 Cs4 O32 P4 -","4","1","","Liddle, Stephen T.; Izod, Keith","Synthesis and Characterization of 1,3-Diphosphapropene and Alkali-Metal 1,3-Diphosphaallyl Complexes and Unexpected 1,3-Rearrangement of a Cesium 1,3-Diphosphaallyl Complex to a Cesium Secondary Phosphanide","Organometallics","2004","23","23","5550","5559","10.1021/om049538u","","","","","","","","","","","","","","","","","","","","","has coordinates","209929","2020-10-21","18:00:00",""
"4061180","20.355","0.004","13.803","0.002","20.1","0.006","90","1.8","90","0.5","90","","5647","2","296","","296","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C61 H53 F6 Fe O2 P5 Ru -","- C61 H53 F6 Fe O2 P5 Ru -","- C244 H212 F24 Fe4 O8 P20 Ru4 -","4","1","","Wyman, Ian W.; Burchell, Tara J.; Robertson, Kathy N.; Cameron, T. Stanley; Aquino, Manuel A. S.","Structure and Electrochemistry of Heterobimetallic Ferrocenecarboxylatoruthenium(II) Complexes","Organometallics","2004","23","22","5353","5364","10.1021/om049635n","","","","","","","0.0588","","","0.1531","","","","","","","","","","","has coordinates","209907","2020-10-21","18:00:00",""
"4061186","20.84","0.0001","18.068","0.0001","15.917","0.0002","90","","90","","90","","5993.34","0.09","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H35 F3 O5 S Sn -","- C29 H35 F3 O5 S Sn -","- C232 H280 F24 O40 S8 Sn8 -","8","2","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Rǔžička, Aleš; Císařová, Ivana; Holeček, Jaroslav","Quest for Organotin(IV) Cations Containing O,C,O-Chelating Ligands","Organometallics","2004","","","","","10.1021/om049636f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061200","26.031","0.005","21.308","0.004","14.864","0.003","90","","90","","90","","8245","3","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H68 B F15 Zr -","- C80 H68 B F15 Zr -","- C320 H272 B4 F60 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496885","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061202","19.735","0.004","12.5439","0.0016","15.9509","0.0019","90","","90","","90","","3948.7","1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H43 F6 O P2 Pd Sb -","- C39 H41 F6 O P2 Pd Sb -","- C156 H164 F24 O4 P8 Pd4 Sb4 -","4","1","","Meinhard, Dieter; Hollmann, Frank; Huhn, Wolfgang; Thewalt, Ulf; Klinga, Marttii; Rieger, Bernhard","Novel Single-Component Palladium(II) Catalysts for the Alternating CO/Propene Copolymerization Reaction","Organometallics","2004","23","23","5637","5639","10.1021/om049689x","","","","","","","","","","","","","","","","","","","","","has coordinates","209936","2020-10-21","18:00:00",""
"4061282","17.7539","0.0011","11.8517","0.0008","13.7702","0.0009","90","","90","","90","","2897.4","0.3","223","2","223","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H34 F12 N2 O2 P2 Ru S2 -","- C19 H34 F12 N2 O2 P2 Ru S2 -","- C76 H136 F48 N8 O8 P8 Ru4 S8 -","4","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",""
"4061297","18.832","0.004","6.332","0.001","13.685","0.003","90","","90","","90","","1631.8","0.6","113.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H24 O6 Si3 -","- C9 H24 O6 Si3 -","- C36 H96 O24 Si12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0494972","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061336","19.691","0.002","11.4221","0.0013","8.9263","0.001","90","","90","","90","","2007.7","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 Cl2 O Ti -","- C21 H20 Cl2 O Ti -","- C84 H80 Cl8 O4 Ti4 -","4","1","","Zhang, Yuetao; Mu, Ying; Lv, Chunsheng; Li, Guanghua; Xu, Jiansheng; Zhang, Yanrong; Zhu, Dongsheng; Feng, Shouhua","Constrained Geometry Tetramethylcyclopentadienyl-phenoxytitanium Dichlorides: Template Synthesis, Structures and Catalytic Properties for Ethylene Polymerization","Organometallics","2004","","","","","10.1021/om0306022","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061345","17.34","0.005","12.394","0.003","13.206","0.003","90","","90","","90","","2838.3","1.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H27 I2 N8 O Rh -","- C23 H27 I2 N8 O Rh -","- C92 H108 I8 N32 O4 Rh4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0341552","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061385","16.2564","0.001","18.0258","0.0011","19.6093","0.0012","90","","90","","90","","5746.2","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H15 Ag12 F24 N9 O19 -","- C35 H15 Ag12 F24 N9 O19 -","- C140 H60 Ag48 F96 N36 O76 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049055q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061509","27.571","0.001","18.5892","0.0007","12.102","0.0005","90","","90","","90","","6202.6","0.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H52 F6 N2 P3 Rh -","- C62 H50 F6 N2 P3 Rh -","- C248 H200 F24 N8 P12 Rh4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050240t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061795","20.491","0.001","9.6657","0.0005","14.5136","0.0007","90","","90","","90","","2874.6","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","[RuCp(eta^1^-(P)-PPh~2~CH=C-(CH~2~)~4~-eta^3^-(C,C,N)-CCHNEt~2~)]PF~6~","","","- C29 H35 F6 N P2 Ru -","- C29 H35 F6 N P2 Ru -","- C116 H140 F24 N4 P8 Ru4 -","4","1","","Pavlik, Sonja; Jantscher, Florian; Mereiter, Kurt; Kirchner, Karl","Ruthenium-mediated Insertion of an Unsaturated C4 Unit into the P-N Bond of an Aminophosphine Ligand.","Organometallics","2005","24","21","4899","4901","10.1021/om050688u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133699","2020-10-21","18:00:00",""
"4061863","14.561","0.001","17.096","0.002","10.391","0.001","90","","90","","90","","2586.7","0.4","298.2","","298.2","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H6 F3 N O15 Os4 S -","- C13 H6 F3 N O15 Os4 S -","- C52 H24 F12 N4 O60 Os16 S4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061866","15.4058","0.0009","10.6809","0.0006","18.1516","0.0011","90","","90","","90","","2986.8","0.3","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H32 Cl3 I2 N2 O Rh -","- C25 H32 Cl3 I2 N2 O Rh -","- C100 H128 Cl12 I8 N8 O4 Rh4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178515","2020-10-21","18:00:00",""
"4061921","14.4365","0.0012","11.2483","0.0006","16.9363","0.0011","90","","90","","90","","2750.2","0.3","293","2","293","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C29 H27 B F4 Fe N O P Pd -","- C29 H27 B F4 Fe N O P Pd -","- C116 H108 B4 F16 Fe4 N4 O4 P4 Pd4 -","4","1","","Thanh Thien Co; Seung Whan Paek; Sang Chul Shim; Chan Sik Cho; Tae-Jeong Kim; Dong Woong Choi; Sang Ook Kang; Jong Hwa Jeong","1,2-Ferrocenediylazaphosphinines: An Unusual Coordination Behavior and Application to Allylic Alkylation","Organometallics","2003","22","","1475","","10.1021/om020929n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061922","19.6999","0.0017","9.6164","0.0009","11.5827","0.001","90","","90","","90","","2194.3","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H17 Cr2 O6 P S -","- C22 H17 Cr2 O6 P S -","- C88 H68 Cr8 O24 P4 S4 -","4","1","","Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Goh, Lai Yoong","Complexes from Ring Opening of Lawesson's Reagent and Phosphorus-Phosphorus Coupling","Organometallics","2003","22","8","1645","1656","10.1021/om020933z","","","","","","","","","","","","","","","","","","","","","has coordinates","218752","2020-10-21","18:00:00",""
"4062144","11.076","0.007","9.274","0.006","15.069","0.01","90","","90","","90","","1547.9","1.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N P -","- C18 H16 N P -","- C72 H64 N4 P4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062146","16.655","0.009","20.504","0.011","9.028","0.005","90","","90","","90","","3083","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H30 Cl2 Fe N2 P -","- C32 H30 Cl2 Fe N2 P -","- C128 H120 Cl8 Fe4 N8 P4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178517","2020-10-21","18:00:00",""
"4062232","18.3415","0.0014","10.9172","0.0008","22.4764","0.0017","90","","90","","90","","4500.6","0.6","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H33 K N3 P -","- C21 H33 K N3 P -","- C168 H264 K8 N24 P8 -","8","2","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062348","18.7214","0.0011","12.5845","0.0007","11.5291","0.0006","90","","90","","90","","2716.2","0.3","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H21 Cl6 P Ru Si2 -","- C24 H21 Cl6 P Ru Si2 -","- C96 H84 Cl24 P4 Ru4 Si8 -","4","1","","Burgio, James; Yardy, Nicholas M.; Petersen, Jeffrey L.; Lemke, Frederick R.","Facile Synthesis and Structures of η^6^-Arene Bis(silyl) Complexes of Ruthenium(II): (η^6^-arene)Ru(PPh~3~)(SiX~3~)~2~","Organometallics","2003","22","24","4928","4932","10.1021/om034009w","","","","","","","","","","","","","","","","","","","","","has coordinates","192140","2020-10-21","18:00:00",""
"4062349","19.102","0.004","12.639","0.003","11.546","0.002","90","","90","","90","","2787.6","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H27 Cl4 P Ru Si2 -","- C26 H27 Cl4 P Ru Si2 -","- C104 H108 Cl16 P4 Ru4 Si8 -","4","1","","Burgio, James; Yardy, Nicholas M.; Petersen, Jeffrey L.; Lemke, Frederick R.","Facile Synthesis and Structures of η^6^-Arene Bis(silyl) Complexes of Ruthenium(II): (η^6^-arene)Ru(PPh~3~)(SiX~3~)~2~","Organometallics","2003","22","24","4928","4932","10.1021/om034009w","","","","","","","0.034","","","0.0668","","","","","","","","","","","has coordinates","192140","2020-10-21","18:00:00",""
"4062403","12.7785","0.0004","18.0385","0.0005","17.8506","0.0005","90","","90","","90","","4114.7","0.2","137","2","137","2","","","","","","","","6","P n a 21","P 2c -2n","33","(iPr4Xan)Zr2Cp2Cl4","","","- C39 H50 Cl4 N4 O Zr2 -","- C39 H50 Cl4 N4 O Zr2 -","- C156 H200 Cl16 N16 O4 Zr8 -","4","1","","Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard","Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates)","Organometallics","2003","22","23","4818","4824","10.1021/om034063c","","","","","","","","","","","","","","","","","","","","","has coordinates","192127","2020-10-21","18:00:00",""
"4062404","23.1814","0.0006","13.7921","0.0004","11.6429","0.0003","90","","90","","90","","3722.47","0.17","138","2","138","2","","","","","","","","5","P n a 21","P 2c -2n","33","(iPr4Xan)Zr2Cp2H4","","","- C39 H54 N4 O Zr2 -","- C39 H54 N4 O Zr2 -","- C156 H216 N16 O4 Zr8 -","4","1","","Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard","Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates)","Organometallics","2003","22","23","4818","4824","10.1021/om034063c","","","","","","","","","","","","","","","","","","","","","has coordinates","192127","2020-10-21","18:00:00",""
"4062556","17.9824","0.0002","8.0761","0.0008","14.753","0.001","90","","90","","90","","2142.5","0.3","294","","294","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H24 Cl2 N Ni O P -","- C20 H24 Cl2 N Ni O P -","- C80 H96 Cl8 N4 Ni4 O4 P4 -","4","1","","Speiser Fredy; Braunstein Pierre; Saussine Lucien; Welter Richard","Synthesis, Structures and Catalytic Ethylene Oligomerisation Behavior of Nickel Complexes with Oxazoline-based P,N-Chelate Ligands.","Organometallics","2004","","","","","10.1021/om034197q","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062557","16.152","0.001","19.663","0.001","9.794","0.001","90","","90","","90","","3110.4","","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H38 Cl2 Ni P2 -","- C32 H38 Cl2 Ni P2 -","- C128 H152 Cl8 Ni4 P8 -","4","1","","Speiser Fredy; Braunstein Pierre; Saussine Lucien; Welter Richard","Synthesis, Structures and Catalytic Ethylene Oligomerisation Behavior of Nickel Complexes with Oxazoline-based P,N-Chelate Ligands.","Organometallics","2004","","","","","10.1021/om034197q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062584","15.362","0.002","21.174","0.003","10.048","0.005","90","","90","","90","","3268.4","1.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H43 N2 P -","- C39 H43 N2 P -","- C156 H172 N8 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034302w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062602","11.0291","0.0004","9.9638","0.0004","14.3399","0.0005","90","","90","","90","","1575.84","0.1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl N2 Pd -","- C14 H25 Cl N2 Pd -","- C56 H100 Cl4 N8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062649","12.984","0.003","18.681","0.004","22.816","0.005","90","","90","","90","","5534.3","1.9","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H83 Na O4 Si11 -","- C29 H83 Na O4 Si11 -","- C116 H332 Na4 O16 Si44 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034396+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062745","16.668","0.003","11.628","0.002","8.163","0.002","90","","90","","90","","1582.2","0.6","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H21 I N2 O2 Pd -","- C13 H21 I N2 O2 Pd -","- C52 H84 I4 N8 O8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062766","21.336","0.004","21.469","0.004","14.219","0.003","90","","90","","90","","6513","2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H17.5 Cl1.5 N2 Pd -","- C16 H17.5 Cl1.5 N2 Pd -","- C256 H280 Cl24 N32 Pd16 -","16","4","","","","Organometallics","2004","","","","","10.1021/om0496232","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063021","20.51","0.01","8.536","0.004","15.276","0.008","90","","90","","90","","2675","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H42 N O2 P Ti -","- C24 H42 N O2 P Ti -","- C96 H168 N4 O8 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063096","18.871","0.004","7.516","0.002","14.33","0.005","90","","90","","90","","2032.5","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","[NiBr~2~(PMe^i^Pr~2~)~2~]","","","- C14 H34 Br2 Ni P2 -","- C14 H34 Br2 Ni P2 -","- C56 H136 Br8 Ni4 P8 -","4","1","","Jimenez-Tenorio, Manuel; Puerta, M. Carmen; Salcedo, Isabel; Valerga, Pedro; Costa, Sandra I.; Silva, Leonel C.; Gomes, Pedro T.","Cationic Nickel Complexes Containing Bulky Phosphine Ligands: Catalyst Precursors for Styrene Polymerization","Organometallics","2004","23","13","3139","3146","10.1021/om049883j","","","","","","","","","","","","","","","","","","","","","has coordinates","133714","2020-10-21","18:00:00",""
"4063320","18.2731","0.0008","17.523","0.0008","6.9254","0.0003","90","","90","","90","","2217.51","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H33 Cl N6 P2 Ru -","- C20 H33 Cl N6 P2 Ru -","- C80 H132 Cl4 N24 P8 Ru4 -","4","1","","Charles A. Mebi; Radhika P. Nair; Brian J. Frost","pH-Dependent Selective Transfer Hydrogenation of α,β-Unsaturated Carbonyls in Aqueous Media Utilizing Half-Sandwich Ruthenium(II) Complexes","Organometallics","2007","26","","429","438","10.1021/om060892x","","x-ray","0.71073","MoKα","","0.0417","0.0345","","","0.0729","0.0761","","","","","","1.033","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063351","25.14","0.003","18.189","0.002","16.2652","0.0018","90","","90","","90","","7437.6","1.5","123.1","","123.1","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C81 H56 B F24 P3 Ru -","- C81 H56 B F24 P3 Ru -","- C324 H224 B4 F96 P12 Ru4 -","4","1","","Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi","Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes","Organometallics","2011","30","2","204","207","10.1021/om101109c","","","0.7107","MoKα","","","0.0398","","","","0.0912","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063482","7.712","0.005","24.039","0.005","11.097","0.005","90","","90","","90","","2057.3","1.7","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H27 Au B N4 P S2 -","- C14 H27 Au B N4 P S2 -","- C56 H108 Au4 B4 N16 P4 S8 -","4","1","","Hill, Anthony F.; Smith, Matthew K.; Tshabang, Never; Willis, Anthony C.","Bimetallic Dihydrobis(methimazolyl)borate Coordination: Structure [Mo2{μ2-H2B(mt)2}(CO)7][Au2(μ2-H2B(mt)2}](PEt3)2] (mt = methimazolyl)","Organometallics","2010","29","2","473","477","10.1021/om900891a","","","0.71069","MoKα","","0.064","0.0503","","","0.1206","0.1303","","","","","","1.023","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063486","24.434","0.003","10.1909","0.0011","12.7949","0.0013","90","","90","","90","","3186","0.6","193","2","193","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C25 H31 Al Cl4 Fe N O2 P Si -","- C25 H31 Al Cl4 Fe N O2 P Si -","- C100 H124 Al4 Cl16 Fe4 N4 O8 P4 Si4 -","4","1","","Vaheesar, Kandasamy; Bolton, Timothy M.; East, Allan L. L.; Sterenberg, Brian T.","Si‒H Bond Activation by Electrophilic Phosphinidene Complexes","Organometallics","2010","29","2","484","490","10.1021/om900944v","","","0.71073","MoKα","","0.0393","0.033","","","0.0725","0.0753","","","","","","1.094","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063583","14.6369","0.0011","6.5003","0.0005","30.972","0.002","90","","90","","90","","2946.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Mn N O3 -","- C17 H16 Mn N O3 -","- C136 H128 Mn8 N8 O24 -","8","2","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0447","0.0357","","","0.082","0.0866","","","","","","1.009","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063592","9.692","0.002","13.926","0.002","7.449","0.002","90","","90","","90","","1005.4","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H15 Li O2 -","- C9 H15 Li O2 -","- C36 H60 Li4 O8 -","4","1","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Revealing Coordination Patterns in C5-Cyclic Lithium Organics","Organometallics","2011","30","16","4379","","10.1021/om200471e","","","0.71073","MoKα","","0.0374","0.0318","","","0.0742","0.0765","","","","","","1.077","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063975","17.205","0.004","7.41","0.0019","17.5","0.005","90","","90","","90","","2231.1","1","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","Pt(dippe)(2-C6H4CN)H","","","- C21 H37 N P2 Pt -","- C21 H36 N P2 Pt -","- C84 H144 N4 P8 Pt4 -","4","1","","Swartz, Brett D.; Brennessel, William W.; Jones, William D.","C−CN vs C−H Cleavage of Benzonitrile Using [(dippe)PtH]2","Organometallics","2011","30","6","1523","","10.1021/om101069j","","","0.71073","MoKα","","0.0976","0.0527","","","0.0943","0.1081","","","","","","1.023","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4064051","13.4414","0.0006","11.7373","0.0005","17.4652","0.0008","90","","90","","90","","2755.4","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H34 I N3 O Pd -","- C27 H34 I N3 O Pd -","- C108 H136 I4 N12 O4 Pd4 -","4","1","","Vicente, José; González-Herrero, Pablo; Frutos-Pedreño, Roberto; Chicote, María-Teresa; Jones, Peter G.; Bautista, Delia","Synthesis and Reactivity of Ortho-Palladated Phenylacetamides. Intramolecular C−N vs C−O Reductive Coupling after CO or XyNC Insertion into the Pd−C Bond. Synthesis of Isoquinoline- and Isocoumarin-Based Heterocycles","Organometallics","2011","30","5","1079","","10.1021/om101110s","","","0.71073","MoKα","","0.0207","0.0203","","","0.0471","0.0473","","","","","","1.082","","","","has coordinates,has disorder","178502","2020-10-21","18:00:00",""
"4064105","15.3241","0.0002","12.5768","0.0002","9.8728","0.0002","90","","90","","90","","1902.77","0.05","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H8 N2 O9 Ru3 -","- C14 H8 N2 O9 Ru3 -","- C56 H32 N8 O36 Ru12 -","4","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","","","1.54184","CuKα","","0.0991","0.0955","","","0.2387","0.2619","","","","","","1.155","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064434","17.03","0.004","15.802","0.004","28.816","0.007","90","","90","","90","","7755","3","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C79 H90 Cl10 N4 Ru4 -","- C79 H90 Cl10 N4 Ru4 -","- C316 H360 Cl40 N16 Ru16 -","4","1","","Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis and Catalytic Evaluation in Olefin Metathesis of a Second-Generation Homobimetallic Ruthenium‒Arene Complex Bearing a Vinylidene Ligand","Organometallics","2011","30","10","2730","","10.1021/om2001074","","x-ray","0.7107","MoKα","","0.0459","0.0359","","","0.081","0.0863","","","","","","1.037","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064680","14.8466","0.0002","10.5615","0.0002","16.8143","0.0002","90","","90","","90","","2636.52","0.07","200","","200","","","","","","","","local","6","P n a 21","P 2c -2n","33","","Tp*(CO)~2~MoC-BCat","","- C24 H26 B2 Mo N6 O4 -","- C24 H26 B2 Mo N6 O4 -","- C96 H104 B8 Mo4 N24 O16 -","4","1","","Hill, Anthony F.; Shang, Rong; Willis, Anthony C.","Borylcarbyne Complexes: [Mo(≡CBR2)(CO)2{HB(pzMe2)3}] (BR2= B(NMe2)2, BO2C6H4; pz = pyrazol-1-yl)","Organometallics","2011","30","12","3237","","10.1021/om200261h","","","0.71073","MoKα","","0.0392","0.0292","","0.0665","0.0639","0.0665","","","","","","0.8881","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064712","21.0249","0.001","9.6249","0.0005","11.681","0.0006","90","","90","","90","","2363.8","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H38 O Os P2 -","- C24 H38 O Os P2 -","- C96 H152 O4 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Honczek, Nicole; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Direct Access to POP-Type Osmium(II) and Osmium(IV) Complexes: Osmium a Promising Alternative to Ruthenium for the Synthesis of Imines from Alcohols and Amines","Organometallics","2011","30","9","2468","","10.1021/om200290u","","","0.71073","MoKα","","0.0216","0.0183","","","0.0417","0.0429","","","","","","1.125","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064771","26.701","0.003","12.6843","0.0016","25.711","0.003","90","","90","","90","","8707.9","1.8","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C84 H136 K2 Mg N4 O10 -","- C84 H136 K2 Mg N4 O10 -","- C336 H544 K8 Mg4 N16 O40 -","4","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","","0.1417","0.0751","","","0.1854","0.226","","","","","","1.053","","","","has coordinates","189195","2020-10-21","18:00:00",""
"4064842","16.8303","0.0011","11.97","0.0008","20.6634","0.0014","90","","90","","90","","4162.8","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H32 N2 -","- C23 H32 N2 -","- C184 H256 N16 -","8","2","","Szuromi, Endre; Klosin, Jerzy; Abboud, Khalil A.","Aminotroponiminato Hafnium and Zirconium Complexes: Synthesis and Ethylene/1-Octene Copolymerization Study","Organometallics","2011","30","17","4589","","10.1021/om200362v","","","0.71073","MoK\α","","0.0809","0.0562","","","0.1248","0.1358","","","","","","1.007","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064868","17.719","0.004","8.27","0.008","33.57","0.008","90","","90","","90","","4919","5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H38 Br Ni O3 P -","- C20 H38 Br Ni O3 P -","- C160 H304 Br8 Ni8 O24 P8 -","8","2","","Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut","Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide","Organometallics","2011","30","23","6351","","10.1021/om200372j","","","0.71073","MoKα","","0.2322","0.0494","","","0.0543","0.0815","","","","","","0.718","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064921","16.678","0.003","10.644","0.002","16.022","0.003","90","","90","","90","","2844.2","0.9","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H11.5 I2 N2 Pt -","- C12 H11.5 I2 N2 Pt -","- C96 H92 I16 N16 Pt8 -","8","2","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","The Chemistry of [PtMe2(1,2-bis(2-pyridyl)ethane)]: Remarkable Impact of an Easily Dissociated Chelate Ligand","Organometallics","2011","30","21","5625","","10.1021/om200427b","","","0.71073","MoKα","","0.0945","0.0622","","","0.1538","0.1878","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064940","10.8771","0.0006","20.2402","0.0012","15.8448","0.0011","90","","90","","90","","3488.3","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H51 Cl7 N2 Ni P2 -","- C22 H51 Cl7 N2 Ni P2 -","- C88 H204 Cl28 N8 Ni4 P8 -","4","1","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0768","0.0554","","","0.1415","0.1544","","","","","","1.048","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4065009","17.023","0.003","8.5476","0.0013","25.323","0.004","90","","90","","90","","3684.6","1","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H23 Mo N O5 -","- C19 H23 Mo N O5 -","- C152 H184 Mo8 N8 O40 -","8","2","","Zhang, Wei-Qiang; Atkin, Anthony J.; Fairlamb, Ian J. S.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis and Reactivity of Molybdenum Complexes Containing Functionalized Alkynyl Ligands: A Photochemically Activated CO-Releasing Molecule (PhotoCO-RM)","Organometallics","2011","30","17","4643","","10.1021/om200495h","","","0.71073","MoKα","","0.0375","0.0291","","","0.0628","0.0663","","","","","","1.009","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065074","27.309","0.0007","12.5276","0.0003","22.2817","0.0006","90","","90","","90","","7622.9","0.3","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C90 H102 Li2 N4 P4 -","- C90 H102 Li2 N4 P4 -","- C360 H408 Li8 N16 P16 -","4","1","","Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)","Organometallics","2011","30","20","5314","","10.1021/om200553s","","","1.5418","CuKα","","0.063","0.0499","","","0.1128","0.1192","","","","","","1.049","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065263","16.419","0.003","12.458","0.003","10.52","0.002","90","","90","","90","","2151.8","0.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H28 F3 N3 O3 S -","- C17 H28 F3 N3 O3 S -","- C68 H112 F12 N12 O12 S4 -","4","1","","Li, Dongzhen; Wang, Yang; Zhang, Wen-Xiong; Zhang, Shaoguang; Guang, Jie; Xi, Zhenfeng","One-Pot Synthesis and Unpredicted Hydrogen Bonds of the Guanidinium Triflates from Readily Available Amines, Carbodiimides, and Zn(OTf)2","Organometallics","2011","30","19","5278","","10.1021/om2006613","","","0.71073","MoKα","","0.0482","0.0441","","","0.0945","0.0977","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065407","22.782","0.004","11.675","0.002","6.5301","0.0012","90","","90","","90","","1736.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 B10 N -","- C15 H21 B10 N -","- C60 H84 B40 N4 -","4","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","","0.0683","0.0504","","","0.1316","0.1461","","","","","","1.028","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065716","15.8788","0.001","20.8366","0.0012","8.9281","0.0004","90","","90","","90","","2954","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H50 O2 Zr -","- C35 H50 O2 Zr -","- C140 H200 O8 Zr4 -","4","1","","Pun, Doris; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J.","Cyclopentanone Insertion into η9-Indenyl Rings of Zirconium Sandwich Complexes","Organometallics","2010","29","7","1789","","10.1021/om100096g","","","0.71073","MoKα","","0.0947","0.0576","","","0.0966","0.1126","","","","","","1.022","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065772","16.457","0.004","9.668","0.002","8.982","0.002","90","","90","","90","","1429.1","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H15 Cr F3 O3 -","- C14 H15 Cr F3 O3 -","- C56 H60 Cr4 F12 O12 -","4","1","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and Structural Characterization of New Perfluoroacyl and Perfluoroalkyl Group 6 Transition Metal Compounds","Organometallics","2010","29","8","1948","","10.1021/om1001183","","","0.71073","MoKα","","0.0244","0.0233","","","0.0587","0.0591","","","","","","1.139","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065773","16.913","0.006","9.751","0.004","9.135","0.003","90","","90","","90","","1506.5","1","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H15 F3 O3 W -","- C14 H15 F3 O3 W -","- C56 H60 F12 O12 W4 -","4","1","","Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.","Synthesis and Structural Characterization of New Perfluoroacyl and Perfluoroalkyl Group 6 Transition Metal Compounds","Organometallics","2010","29","8","1948","","10.1021/om1001183","","","0.71073","MoKα","","0.0437","0.036","","","0.0763","0.0793","","","","","","1.05","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065791","12.497","0.002","19.794","0.004","8.1791","0.0015","90","","90","","90","","2023.2","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H28 F6 N O2 Os P -","- C16 H28 F6 N O2 Os P -","- C64 H112 F24 N4 O8 Os4 P4 -","4","1","","Batuecas, María; Esteruelas, Miguel A.; García-Yebra, Cristina; Oñate, Enrique","Redox Isomerization of Allylic Alcohols Catalyzed by Osmium and Ruthenium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Amine or Phosphoramidite Group: X-ray Structure of an η3-1-Hydroxyallyl-Metal-Hydride Intermediate","Organometallics","2010","29","9","2166","","10.1021/om100126t","","","0.71073","MoKα","","0.0591","0.0433","","","0.0733","0.0781","","","","","","1.041","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065851","11.315","0.002","16.399","0.003","38.383","0.007","90","","90","","90","","7122","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H46 Mn Si4 -","- C30 H46 Mn Si4 -","- C240 H368 Mn8 Si32 -","8","2","","Crisp, Jeffrey A.; Meier, Ryan M.; Overby, Jason S.; Hanusa, Timothy P.; Rheingold, Arnold L.; Brennessel, William W.","Indenyl Complexes of Manganese(II). Conformational Flexibility of the Manganese(II)−(RnC9H7−n) Bond","Organometallics","2010","29","10","2322","","10.1021/om100162j","","","0.71073","MoKα","","0.0612","0.053","","","0.1385","0.1434","","","","","","1.158","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4066061","7.8259","0.0012","18.98","0.003","14.842","0.002","90","","90","","90","","2204.6","0.6","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H13 Fe2 N O6 Se2 -","- C20 H13 Fe2 N O6 Se2 -","- C80 H52 Fe8 N4 O24 Se8 -","4","1","","Song, Li-Cheng; Mei, Shu-Zhen; Feng, Cui-Ping; Gong, Feng-Hua; Ge, Jian-Hua; Hu, Qing-Mei","Reactions of Monoanions [(μ-RE)(μ-E)Fe2(CO)6]−and Dianions [(μ-E)2Fe2(CO)6]2−(E = Se, S) with N-Substituted Benzimidoyl Chlorides, Leading to Novel Butterfly Fe/E Cluster Complexes†","Organometallics","2010","29","21","5050","","10.1021/om1002655","","","1.54178","CuKα","","0.0448","0.0427","","","0.1043","0.1071","","","","","","1.084","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066071","16.3641","0.0009","11.8396","0.0006","19.3116","0.001","90","","90","","90","","3741.5","0.3","173","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H50 B Cu N6 -","- C42 H50 B Cu N6 -","- C168 H200 B4 Cu4 N24 -","4","1","","Martín, Carmen; Muñoz-Molina, José María; Locati, Abel; Alvarez, Eleuterio; Maseras, Feliu; Belderrain, Tomás R.; Pérez, Pedro J.","Copper(I)−Olefin Complexes: The Effect of the Trispyrazolylborate Ancillary Ligand in Structure and Reactivity","Organometallics","2010","29","16","3481","","10.1021/om1002705","","","0.71073","MoKα","","0.0334","0.03","","","0.076","0.0778","","","","","","1.055","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066227","18.8012","0.0014","7.9575","0.0006","12.068","0.001","90","","90","","90","","1805.5","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H32 Co O P3 -","- C13 H32 Co O P3 -","- C52 H128 Co4 O4 P12 -","4","1","","Bleeke, John R.; Lutes, Bryn L.; Lipschutz, Michael; Sakellariou-Thompson, Donastas; Lee, John Seonghyun; Rath, Nigam P.","Synthesis, Structure, Spectroscopy, and Reactivity of Oxapentadienyl−Cobalt−Phosphine Complexes†,(1)","Organometallics","2010","29","21","5057","","10.1021/om100361a","","","0.71073","MoKα","","0.0413","0.035","","","0.0871","0.0901","","","","","","1.06","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066293","14.4177","0.0011","11.8422","0.0009","16.645","0.001","90","","90","","90","","2841.9","0.4","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H36 Cl N2 P Ru -","- C32 H36 Cl N2 P Ru -","- C128 H144 Cl4 N8 P4 Ru4 -","4","1","","Hahn, F. Ekkehardt; Naziruddin, Abbas Raja; Hepp, Alexander; Pape, Tania","Synthesis, Characterization, and H-Bonding Abilities of Ruthenium(II) Complexes Bearing Bidentate NR,NH-Carbene/Phosphine Ligands†","Organometallics","2010","29","21","5283","","10.1021/om100388w","","","1.54178","CuKα","","0.1114","0.0635","","","0.1292","0.1435","","","","","","0.811","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066295","17.4334","0.0009","10.6793","0.0006","14.4679","0.0008","90","","90","","90","","2693.6","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H17 B F15 N O -","- C29 H17 B F15 N O -","- C116 H68 B4 F60 N4 O4 -","4","1","","Birkmann, Birgit; Voss, Tanja; Geier, Stephen J.; Ullrich, Matthias; Kehr, Gerald; Erker, Gerhard; Stephan, Douglas W.","Frustrated Lewis Pairs and Ring-Opening of THF, Dioxane, and Thioxane†","Organometallics","2010","29","21","5310","","10.1021/om1003896","","","0.71073","MoKα","","0.0524","0.0389","","","0.1063","0.1146","","","","","","1.046","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066499","16.8497","0.0003","11.5975","0.0002","7.1424","0.0001","90","","90","","90","","1395.73","0.04","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H16 N4 S2 Si -","- C10 H16 N4 S2 Si -","- C40 H64 N16 S8 Si4 -","4","1","","Wagler, Jörg; Heine, Thomas; Hill, Anthony F.","Poly(methimazolyl)silanes: Syntheses and Molecular Structures†","Organometallics","2010","29","21","5607","","10.1021/om1004989","","","0.71073","MoKα","","0.069","0.0384","","","0.0751","0.0833","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4066755","19.5674","0.0014","9.8425","0.0005","15.772","0.0009","90","","90","","90","","3037.6","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H35 B N V -","- C39 H35 B N V -","- C156 H140 B4 N4 V4 -","4","1","","Jordan, Markus; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger","Bridging Azines in the Coordination Sphere of Low-Valent Vanadocene Derivatives†","Organometallics","2010","29","22","5859","","10.1021/om100612e","","","0.71073","MoKα","","0.0481","0.0281","","","0.0509","0.0536","","","","","","0.767","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066758","20.7795","0.001","9.492","0.0006","15.3284","0.0014","90","","90","","90","","3023.4","0.4","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H34 B N2 V -","- C38 H34 B N2 V -","- C152 H136 B4 N8 V4 -","4","1","","Jordan, Markus; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger","Bridging Azines in the Coordination Sphere of Low-Valent Vanadocene Derivatives†","Organometallics","2010","29","22","5859","","10.1021/om100612e","","","0.71073","MoKα","","0.0676","0.0406","","","0.0791","0.084","","","","","","0.77","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066784","15.7495","0.0009","18.0326","0.001","11.3822","0.0007","90","","90","","90","","3232.6","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H46 P2 Pd Si4 -","- C26 H46 P2 Pd Si4 -","- C104 H184 P8 Pd4 Si16 -","4","1","","Li, Yong-Hua; Shimada, Shigeru","Ligand-Dependent Selective Formation of Unique Silylpalladium Complexes by the Reaction of 1-(Dimethylsilyl)-2-silylbenzene and [{1,2-C6H4(SiMe2)(SiH2)}Pd(R2PCH2CH2PR2)]","Organometallics","2010","29","19","4406","","10.1021/om100626k","","","0.71069","MoKα","","","0.0264","","","","0.0589","","","","","","1.017","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4066824","28.894","0.005","13.643","0.002","13.733","0.002","90","","90","","90","","5413.6","1.5","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H59 Cl4 Mn N2 O P4 -","- C58 H59 Cl4 Mn N2 O P4 -","- C232 H236 Cl16 Mn4 N8 O4 P16 -","4","1","","Welch, Kevin D.; Dougherty, William G.; Kassel, W. Scott; DuBois, Daniel L.; Bullock, R. Morris","Synthesis, Structures, and Reactions of Manganese Complexes Containing Diphosphine Ligands with Pendant Amines","Organometallics","2010","29","20","4532","","10.1021/om100668e","","","0.71073","MoKα","","0.0957","0.0564","","","0.1089","0.126","","","","","","1.009","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066849","12.0087","0.0015","9.7552","0.0012","12.9835","0.0017","90","","90","","90","","1521","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H21 Co N2 O -","- C15 H21 Co N2 O -","- C60 H84 Co4 N8 O4 -","4","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","","","0.71073","MoKα","","0.0353","0.0286","","","0.0611","0.0648","","","","","","1.031","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066950","20.157","0.005","10.568","0.002","12.577","0.003","90","","90","","90","","2679.1","1.1","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H36 Cu N3 -","- C28 H36 Cu N3 -","- C112 H144 Cu4 N12 -","4","1","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","A Versatile Cuprous Synthon: [Cu(IPr)(OH)] (IPr = 1,3 bis(diisopropylphenyl)imidazol-2-ylidene)","Organometallics","2010","29","17","3966","","10.1021/om100733n","","","0.71073","MoKα","","0.063","0.0502","","","0.1196","0.1282","","","","","","1.022","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4067000","17.786","0.006","10.494","0.004","20.214","0.007","90","","90","","90","","3773","2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H46 O4 Y2 -","- C41 H46 O4 Y2 -","- C164 H184 O16 Y8 -","4","1","","Li, Xiaoqing; Hong, Jianquan; Liu, Ruiting; Weng, Linhong; Zhou, Xigeng","Reactions of Cp3Y with Benzophenone: A Simple and Efficient Method for Transformation of Unsubstituted Cyclopentadienyl to Bridgedansa-Cyclopentadienyl/Alkoxyl Ligand","Organometallics","2010","29","20","4606","","10.1021/om100755s","","","0.71073","MoKα","","0.1172","0.0407","","","0.0416","0.0476","","","","","","0.777","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067072","9.6427","0.0004","20.2263","0.0011","13.7617","0.0006","90","","90","","90","","2684","0.2","298","2","298","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H25 F12 N P2 Ru S Se -","- C22 H25 F12 N P2 Ru S Se -","- C88 H100 F48 N4 P8 Ru4 S4 Se4 -","4","1","","Singh, Pradhumn; Singh, Ajai K.","Transfer Hydrogenation of Ketones and Catalytic Oxidation of Alcohols with Half-Sandwich Complexes of Ruthenium(II) Designed Using Benzene and Tridentate (S, N, E) Type Ligands (E = S, Se, Te)","Organometallics","2010","29","23","6433","","10.1021/om100807b","","","0.71073","MoKα","","0.0438","0.038","","","0.1072","0.1289","","","","","","1.202","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067102","24.603","0.004","6.886","0.002","12.638","0.002","90","","90","","90","","2141.1","0.8","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H20 Li N5 -","- C5 H20 Li N5 -","- C40 H160 Li8 N40 -","8","2","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Unprecedented CpLi Ammoniacates","Organometallics","2010","29","23","6169","","10.1021/om100831v","","","0.71073","MoKα","","0.064","0.0599","","","0.1976","0.2015","","","","","","1.079","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067183","17.7997","0.0005","8.8741","0.0002","14.9214","0.0004","90","","90","","90","","2356.93","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H41 Cl N2 Ti -","- C22 H41 Cl N2 Ti -","- C88 H164 Cl4 N8 Ti4 -","4","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","","0.023","0.0222","","","0.0502","0.0505","","","","","","1","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067232","22.358","0.004","12.9581","0.0017","19.088","0.003","90","","90","","90","","5530.1","1.5","130","2","130","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H32 Cl F6 N4 P Ru -","- C25 H32 Cl F6 N4 P Ru -","- C200 H256 Cl8 F48 N32 P8 Ru8 -","8","2","","Ghattas, Wadih; Müller-Bunz, Helge; Albrecht, Martin","[Ru(bpy)3]2+Analogues Containing an N-Heterocyclic Carbene Ligand","Organometallics","2010","29","24","6782","","10.1021/om100925j","","","0.71073","MoKα","","0.059","0.0479","","","0.0851","0.0891","","","","","","1.142","","","","has coordinates,has disorder","178563","2020-10-21","18:00:00",""
"4067285","7.9145","0.0005","15.2319","0.0011","12.0601","0.0007","90","","90","","90","","1453.88","0.16","294","2","294","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","Tricarbonyl-η4-[4,5-dimethylene-3-(4-methylphenyl) -1,3-oxazolidin-2-one]iron(0)","","- C15 H11 Fe N O5 -","- C15 H11 Fe N O5 -","- C60 H44 Fe4 N4 O20 -","4","1","","Ortega-Jiménez, Fernando; Benavides, Adriana; Delgado, Francisco; Jiménez-Vázquez, Hugo A.; Tamariz, Joaquín","Synthesis and Reactivity of η4-Diene-Fe(CO)3Complexes fromexo-2-Oxazolidinone Dienes. A Facile Generation of Stable Conjugated Enol-Enamido Species","Organometallics","2010","29","1","149","","10.1021/om900772z","","x-ray","0.71073","MoKα","","0.0285","0.0271","","","0.072","0.0734","","","","","","1.052","","","","has coordinates","194584","2020-10-21","18:00:00",""
"4067287","7.3729","0.0017","12.4058","0.0016","19.0773","0.0019","90","","90","","90","","1744.9","0.5","294","2","294","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","Tricarbonyl-η4-[(Z)-3-(3-chlorophenyl)-4-methylene-5-propylidene -1,3-oxazolidin-2-one]iron(0)","","- C16 H12 Cl Fe N O5 -","- C16 H12 Cl Fe N O5 -","- C64 H48 Cl4 Fe4 N4 O20 -","4","1","","Ortega-Jiménez, Fernando; Benavides, Adriana; Delgado, Francisco; Jiménez-Vázquez, Hugo A.; Tamariz, Joaquín","Synthesis and Reactivity of η4-Diene-Fe(CO)3Complexes fromexo-2-Oxazolidinone Dienes. A Facile Generation of Stable Conjugated Enol-Enamido Species","Organometallics","2010","29","1","149","","10.1021/om900772z","","x-ray","0.71073","MoKα","","0.089","0.0485","","","0.1021","0.1192","","","","","","1.016","","","","has coordinates","194584","2020-10-21","18:00:00",""
"4067337","14.198","0.0004","13.7783","0.0005","28.1736","0.0013","90","","90","","90","","5511.4","0.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H41 Cr N2 -","- C31 H41 Cr N2 -","- C248 H328 Cr8 N16 -","8","2","","Champouret, Yohan; MacLeod, K. Cory; Baisch, Ulrich; Patrick, Brian O.; Smith, Kevin M.; Poli, Rinaldo","Cyclopentadienyl Chromium β-Diketiminate Complexes: Initiators, Ligand Steric Effects, and Deactivation Processes in the Controlled Radical Polymerization of Vinyl Acetate","Organometallics","2010","29","1","167","","10.1021/om900869p","","","0.71073","MoKα","","0.0617","0.0404","","","0.0971","0.1108","","","","","","1.064","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067400","15.803","0.006","42.77","0.017","10.751","0.004","90","","90","","90","","7267","5","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C64 H67 Cl3 F9 Ir3 N2 O13 S5 -","- C64 H67 Cl3 F9 Ir3 N2 O13 S5 -","- C256 H268 Cl12 F36 Ir12 N8 O52 S20 -","4","1","","Jia, Ai-Quan; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin","Syntheses and Reactions of Half-Sandwich Iridium, Rhodium, and Ruthenium Metallacycles Containing 4-Pyridyl Dithioether Ligands","Organometallics","2010","29","1","232","240","10.1021/om900921g","","","0.71073","MoKα","","0.1042","0.0539","","","0.0957","0.105","","","","","","0.889","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067482","30.2766","0.001","7.5605","0.0002","9.3169","0.0003","90","","90","","90","","2132.7","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H12 Cl2 Ge N2 -","- C7 H12 Cl2 Ge N2 -","- C56 H96 Cl16 Ge8 N16 -","8","2","","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","","0.0946","0.0498","","","0.1055","0.1242","","","","","","1.037","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067592","13.737","0.005","14.285","0.005","14.705","0.005","90","","90","","90","","2885.6","1.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","6d","","","- C26 H44 N6 Zr -","- C26 H44 N6 Zr -","- C104 H176 N24 Zr4 -","4","1","","Panda, Tarun K.; Tsurugi, Hayato; Pal, Kuntal; Kaneko, Hiroshi; Mashima, Kazushi","Highly Reactive Metal−Nitrogen Bond Induced C−H Bond Activation and Azametallacycle Formation","Organometallics","2010","29","1","34","","10.1021/om901027v","","","0.71075","MoKα","","0.0188","0.0186","","","0.0472","0.0473","","","","","","0.907","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067593","13.693","0.005","14.262","0.005","14.705","0.005","90","","90","","90","","2871.7","1.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","7d","","","- C26 H44 Hf N6 -","- C26 H44 Hf N6 -","- C104 H176 Hf4 N24 -","4","1","","Panda, Tarun K.; Tsurugi, Hayato; Pal, Kuntal; Kaneko, Hiroshi; Mashima, Kazushi","Highly Reactive Metal−Nitrogen Bond Induced C−H Bond Activation and Azametallacycle Formation","Organometallics","2010","29","1","34","","10.1021/om901027v","","","0.71075","MoKα","","0.0247","0.0234","","","0.0554","0.0565","","","","","","0.957","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067655","9.45","0.003","17.259","0.005","19.472","0.006","90","","90","","90","","3175.8","1.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H46 N3 Si Y -","- C32 H46 N3 Si Y -","- C128 H184 N12 Si4 Y4 -","4","1","","Zheng, Pengzhi; Hong, Jianquan; Liu, Ruiting; Zhang, Zhengxing; Pang, Zhen; Weng, Linhong; Zhou, Xigeng","Synthesis and Reactivities of Guanidinate Dianion Complexes of Heterobimetallic Lanthanide−Lithium Cp2Ln[(CyN)2CNPh]Li(THF)3","Organometallics","2010","29","5","1284","","10.1021/om9010615","","","0.71073","MoKα","","0.1079","0.0489","","","0.1016","0.1084","","","","","","0.999","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067765","17.5513","0.0008","14.6331","0.0006","19.4487","0.0008","90","","90","","90","","4995","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H51 Cl2 N2 O3 P Pd -","- C45 H51 Cl2 N2 O3 P Pd -","- C180 H204 Cl8 N8 O12 P4 Pd4 -","4","1","","Diebolt, Olivier; Jurčík, Václav; Correa da Costa, Rosenildo; Braunstein, Pierre; Cavallo, Luigi; Nolan, Steven P.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed Phosphite/N-Heterocyclic Carbene Complexes: Synthesis, Characterization and Catalytic Studies","Organometallics","2010","29","6","1443","","10.1021/om9011196","","","0.71073","MoKα","","0.0446","0.035","","","0.104","0.1095","","","","","","1.059","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067851","12.7465","0.0013","29.866","0.003","6.0097","0.0005","90","","90","","90","","2287.8","0.4","180","2","180","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H40 P2 -","- C29 H24 P2 -","- C116 H96 P8 -","4","1","","Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse","Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions","Organometallics","2012","31","3","857","","10.1021/om2008265","","","0.71073","MoKα","","0.1851","0.1525","","","0.3339","0.3495","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4067978","16.8913","0.0015","10.7861","0.001","14.4438","0.0013","90","","90","","90","","2631.5","0.4","200","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H31 O P Ru -","- C33 H31 O P Ru -","- C132 H124 O4 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0267","","","","0.0766","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068096","15.7309","0.0013","11.6766","0.0007","14.6596","0.001","90","","90","","90","","2692.7","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H40 Br2 N Ni O P -","- C23 H40 Br2 N Ni O P -","- C92 H160 Br8 N4 Ni4 O4 P4 -","4","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts","Organometallics","2012","31","3","1006","","10.1021/om201088y","","","0.71073","MoKα","","0.0692","0.0562","","","0.142","0.1503","","","","","","1.144","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068099","17.5777","0.0005","10.4053","0.0003","14.3919","0.0004","90","","90","","90","","2632.3","0.13","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H40 Cl2 N O P Pd -","- C23 H40 Cl2 N O P Pd -","- C92 H160 Cl8 N4 O4 P4 Pd4 -","4","1","","Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts","Organometallics","2012","31","3","1006","","10.1021/om201088y","","","0.71073","MoKα","","0.0154","0.0145","","","0.0368","0.0373","","","","","","1.045","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068203","18.74","0.004","10.387","0.002","26.3","0.005","90","","90","","90","","5119.4","1.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","aqua{dichloro[2,6-bis{1-[(2,6-dichlorophenyl)-imino]ethyl}pyridine]}nickel(II) hydrate ?","","- C21 H19 Cl6 N3 Ni O2 -","- C21 H19 Cl6 N3 Ni O2 -","- C168 H152 Cl48 N24 Ni8 O16 -","8","2","","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","","0.0691","0.0641","","","0.1414","0.1461","","","","","","1.081","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068343","20.6834","0.0018","17.0989","0.0015","11.0349","0.0009","90","","90","","90","","3902.6","0.6","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H39 B7 Mn N O3 P2 -","- C41 H39 B7 Mn N O3 P2 -","- C164 H156 B28 Mn4 N4 O12 P8 -","4","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","10-Vertex Manganese−Dicarbollide Complexes from a Monocarbon Precursor. Synthesis and Cluster Vertex Functionalization of [1-OH-2,2,2-(CO)3-closo-2,1,10-MnC2B7H8]−","Organometallics","2009","28","1","225","","10.1021/om800730n","","","0.71073","MoKα","","0.0799","0.0531","","","0.1061","0.1185","","","","","","1.016","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068482","12.6112","0.0013","12.8196","0.0015","15.4543","0.0011","90","","90","","90","","2498.5","0.4","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","pCymRu(Me)PTN.BF4","","","- C18 H32 B Cl3 F4 N3 P Ru -","- C18 H32 B Cl3 F4 N3 P Ru -","- C72 H128 B4 Cl12 F16 N12 P4 Ru4 -","4","1","","Renfrew, Anna K.; Phillips, Andrew D.; Egger, Alexander E.; Hartinger, Christian G.; Bosquain, Sylvain S.; Nazarov, Alexey A.; Keppler, Bernhard K.; Gonsalvi, Luca; Peruzzini, Maurizio; Dyson, Paul J.","Influence of Structural Variation on the Anticancer Activity of RAPTA-Type Complexes: ptn versus pta","Organometallics","2009","28","4","1165","","10.1021/om800899e","","","0.71073","MoKα","","0.0352","0.0277","","","0.0481","0.051","","","","","","1.094","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4068598","11.1028","0.0012","6.2167","0.0007","17.344","0.002","90","","90","","90","","1197.1","0.2","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Sehnal, Petr; Taghzouti, Hanaa; Fairlamb, Ian J. S.; Jutand, Anny; Lee, Adam F.; Whitwood, Adrian C.","Heteroaromatic Analogues of Dibenzylideneacetone (dba) and Pd02(het-dba)3Complexes: Effect of a Thienyl Moiety on the Reactivity of Pd0(η2-thn-dba)(PPh3)2/Pd0(PPh3)2(n= 1 or 2) and Pd0(η2-th2-dba)(dppe)/Pd0(dppe) in Oxidative Addition Reactions with Iodobenzene","Organometallics","2009","28","3","824","","10.1021/om800975w","","","0.71073","MoKα","","0.0311","0.0278","","","0.0718","0.0735","","","","","","1.059","","","","has coordinates,has disorder","178575","2020-10-21","18:00:00",""
"4068605","10.9117","0.0009","20.5686","0.0018","9.6089","0.0008","90","","90","","90","","2156.6","0.3","223","2","223","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H22 Br2 N2 O Pt S -","- C19 H22 Br2 N2 O Pt S -","- C76 H88 Br8 N8 O4 Pt4 S4 -","4","1","","Hu, Jian Jin; Li, Fuwei; Hor, T. S. Andy","Novel Pt(II) Mono- and Biscarbene Complexes: Synthesis, Structural Characterization and Application in Hydrosilylation Catalysis","Organometallics","2009","28","4","1212","","10.1021/om800978j","","","0.71073","MoKα","","0.0352","0.0298","","","0.061","0.0628","","","","","","0.989","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4068780","12.6837","0.0002","23.4194","0.0004","14.1523","0.0003","90","","90","","90","","4203.86","0.13","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42.5 H43 Cl3 O2 Os P2 -","- C42.5 H43 Cl3 O2 Os P2 -","- C170 H172 Cl12 O8 Os4 P8 -","4","1","","Lin, Yumei; Gong, Lei; Xu, Hui; He, Xumin; Wen, Ting Bin; Xia, Haiping","Nine-Membered Osmacycles Derived from Metathesis Reactions between Alkynes and an Osmafuran","Organometallics","2009","28","5","1524","","10.1021/om8010867","","","0.71073","MoKα","","0.0494","0.0394","","","0.1175","0.1225","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068824","22.6142","0.0017","10.6634","0.0008","12.4347","0.001","90","","90","","90","","2998.6","0.4","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H28 F18 O5 W -","- C21 H28 F18 O5 W -","- C84 H112 F72 O20 W4 -","4","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","","0.0816","0.0418","","","0.089","0.1038","","","","","","1.005","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068923","30.994","0.006","8.593","0.0017","29.837","0.006","90","","90","","90","","7947","3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H25 Cl2 Fe N O P2 -","- C15 Cl2 Fe N O P2 -","- C240 Cl32 Fe16 N16 O16 P32 -","16","4","","Shi, Yujie; Li, Min; Hu, Qingping; Li, Xiaoyan; Sun, Hongjian","C−Cl Bond Activation ofortho-Chlorinated Imine with Iron Complexes in Low Oxidation States","Organometallics","2009","28","7","2206","","10.1021/om801162u","","","0.71073","MoKα","","0.0982","0.0858","","","0.2074","0.2137","","","","","","1.379","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068969","17.6025","0.0014","9.1856","0.0007","12.2908","0.0009","90","","90","","90","","1987.3","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H36 P4 Ru -","- C13 H36 P4 Ru -","- C52 H144 P16 Ru4 -","4","1","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Willis, Anthony C.","Insertion of CO2into the Ru−C Bonds ofcis-andtrans-Ru(dmpe)2Me2(dmpe = Me2PCH2CH2PMe2)","Organometallics","2009","28","8","2385","","10.1021/om801184k","","","0.71073","MoKα","","0.027","0.0241","","","0.0531","0.0542","","","","","","1.029","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069085","20.242","0.004","8.8829","0.0016","8.883","","90","","90","","90","","1597.2","0.4","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Young, Kenneth J. H.; Yousufuddin, Muhammed; Ess, Daniel H.; Periana, Roy A.","Cyclometalation of 6-Phenyl-2,2′-Bipyridine and Iridium: Synthesis, Characterization, and Reactivity Studies","Organometallics","2009","28","12","3395","","10.1021/om900014h","","","0.71073","MoKα","","0.0747","0.0551","","","0.1353","0.144","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4069117","24.757","0.0003","7.756","0.0005","11.701","0.0011","90","","90","","90","","2246.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H26 Ge2 -","- C26 H26 Ge2 -","- C104 H104 Ge8 -","4","1","","Amadoruge, Monika L.; Yoder, Claude H.; Conneywerdy, Julia Hope; Heroux, Katie; Rheingold, Arnold L.; Weinert, Charles S.","73Ge NMR Spectral Investigations of Singly Bonded Oligogermanes","Organometallics","2009","28","10","3067","","10.1021/om900035r","","","0.71073","MoKα","","0.0438","0.0332","","","0.0655","0.0698","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4069261","19.9738","0.0006","11.0019","0.0003","15.4627","0.0005","90","","90","","90","","3397.92","0.18","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H31 B2 F8 N4 P Pd -","- C33 H31 B2 F8 N4 P Pd -","- C132 H124 B8 F32 N16 P4 Pd4 -","4","1","","Ho, Chien-Chang; Chatterjee, Sandipan; Wu, Tzu-Liang; Chan, Kai-Ting; Chang, Yu-Wei; Hsiao, Tsun-Hung; Lee, Hon Man","Direct Arylation Mediated by Palladium Complexes with Rigid Phosphine-Functionalized N-Heterocyclic Carbenes","Organometallics","2009","28","9","2837","","10.1021/om900112y","","x-ray","0.71073","MoKα","","0.0867","0.0476","","","0.1052","0.1174","","","","","","1.016","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069312","19.7535","0.0011","14.2147","0.0008","10.6188","0.0006","90","","90","","90","","2981.7","0.3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H51 N3 U -","- C32 H51 N3 U -","- C128 H204 N12 U4 -","4","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","","0.048","0.0407","","","0.1017","0.1071","","","","","","1.05","","","","has coordinates,has disorder","178582","2020-10-21","18:00:00",""
"4069383","14.7541","0.0005","9.0836","0.0003","32.1522","0.0011","90","","90","","90","","4309","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H24 Cl2 Mo N2 O2 Sn -","- C19 H24 Cl2 Mo N2 O2 Sn -","- C152 H192 Cl16 Mo8 N16 O16 Sn8 -","8","2","","Martincová, Jana; Jambor, Roman; Schürmann, Markus; Jurkschat, Klaus; Honzíček, Jan; Almeida Paz, Filipe A.","Palladium and Molybdenum Complexes of the Heteroleptic Organostannylene [2,6-(Me2NCH2)2C6H3]SnCl","Organometallics","2009","28","16","4778","4782","10.1021/om900166d","","","0.71073","MoKα","","0.0738","0.0549","","","0.1124","0.1195","","","","","","1.133","","","","has coordinates","209862","2020-10-21","18:00:00",""
"4069455","23.4146","0.0013","10.3148","0.0006","24.455","0.0012","90","","90","","90","","5906.3","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C74 H56 P2 Pt Si4 -","- C74 H56 P2 Pt Si4 -","- C296 H224 P8 Pt4 Si16 -","4","1","","Braddock-Wilking, Janet; Bandrowsky, Teresa; Praingam, Ngamjit; Rath, Nigam P.","Sila- and Germaplatinacycles Produced from a Stepwise E−E Bond Forming Reaction","Organometallics","2009","28","14","4098","","10.1021/om900201y","","","0.71073","MoKα","","0.0738","0.0442","","","0.0868","0.0971","","","","","","1.02","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4069641","15.4248","0.0014","14.9326","0.0014","7.1632","0.0007","90","","90","","90","","1649.9","0.3","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","[CpRu(COD)(MeCN)]PF6","h5-Cyclopentadienyl-(h4-(Z,Z)-1,5-cyclooctadiene)- (h1-acetonitrile)-ruthenium(II) hexafluorophosphate","","- C15 H20 F6 N P Ru -","- C15 H20 F6 N P Ru -","- C60 H80 F24 N4 P4 Ru4 -","4","1","","Hintermann, Lukas; Xiao, Li; Labonne, Aurélie; Englert, Ulli","[CpRu(η6-naphthalene)]PF6as Precursor in Complex Synthesis and Catalysis with the Cyclopentadienyl-Ruthenium(II) Cation","Organometallics","2009","28","19","5739","","10.1021/om900333t","","x-ray","0.71073","MoKα","","0.0259","0.0242","","","0.0582","0.0588","","","","","","1.075","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069753","17.5114","0.0013","9.531","0.0006","14.5532","0.0008","90","","90","","90","","2428.9","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H44 Ni P2 -","- C23 H44 Ni P2 -","- C92 H176 Ni4 P8 -","4","1","","Matas, Inmaculada; Cámpora, Juan; Palma, Pilar; Álvarez, Eleuterio","Decomposition of Methylnickel(II) Amido, Alkoxo, and Alkyl Complexes by β-Hydrogen Elimination: A Comparative Study†","Organometallics","2009","28","22","6515","","10.1021/om900400s","","","0.71073","MoKα","","0.0622","0.0484","","","0.1191","0.1314","","","","","","1.063","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4069764","14.8886","0.0008","14.1628","0.0009","11.5767","0.0006","90","","90","","90","","2441.1","0.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H35 Cl2 N3 Ni O -","- C22 H35 Cl2 N3 Ni O -","- C88 H140 Cl8 N12 Ni4 O4 -","4","1","","Huang, Yi-Ping; Tsai, Chung-Chih; Shih, Wei-Chih; Chang, Yu-Chang; Lin, Shen-Ta; Yap, Glenn P. A.; Chao, Ito; Ong, Tiow-Gan","Kinetic and Thermodynamic Study ofSyn−AntiIsomerization of Nickel Complexes Bearing Amino-Linked N-Heterocyclic Carbene Ligands: The Effect of the Pendant Arm of the NHC","Organometallics","2009","28","15","4316","","10.1021/om900404c","","","0.71073","MoKα","","0.0821","0.0543","","","0.1286","0.1439","","","","","","1.036","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4069865","20.2785","0.0003","10.1861","0.0001","21.0659","0.0003","90","","90","","90","","4351.35","0.1","183","2","183","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(Z)-phenylvinyl mono-nitrosyl bis-tricyclohexylphosphine rhenium bromide","","- C44 H73 Br N O P2 Re -","- C44 H73 Br N O P2 Re -","- C176 H292 Br4 N4 O4 P8 Re4 -","4","1","","Jiang, Yanfeng; Blacque, Olivier; Fox, Thomas; Frech, Christian M.; Berke, Heinz","From Alkynes to Carbenes Mediated by [Re(Br)(H)(NO)(PR3)2] (R = Cy,iPr) Complexes","Organometallics","2009","28","16","4670","","10.1021/om900459x","","","0.71073","MoKα","","0.0482","0.0324","","","0.0679","0.0701","","","","","","0.928","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069906","9.143","0.002","18.813","0.004","13.705","0.003","90","","90","","90","","2357.4","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H28 B N4 Rh -","- C28 H28 B N4 Rh -","- C112 H112 B4 N16 Rh4 -","4","1","","Tsoureas, Nikolaos; Bevis, Thomas; Butts, Craig P.; Hamilton, Alex; Owen, Gareth R.","Further Exploring the “Sting of the Scorpion”: Hydride Migration and Subsequent Rearrangement of Norbornadiene to Nortricyclyl on Rhodium(I)","Organometallics","2009","28","17","5222","","10.1021/om900499v","","","1.54178","CuKα","","0.0245","0.0243","","","0.0609","0.061","","","","","","1.061","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4069929","25.24","0.002","9.8942","0.0007","15.5546","0.0011","90","","90","","90","","3884.4","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H39 Br O2 P2 Ru -","- C47 H39 Br O2 P2 Ru -","- C188 H156 Br4 O8 P8 Ru4 -","4","1","","Grounds, Helen; Anderson, James C.; Hayter, Barry; Blake, Alexander J.","A New Oxidative Addition of Ruthenium(0) into an Aryl Halide Bond and Subsequent Intermolecular C−H Insertion","Organometallics","2009","28","17","5289","","10.1021/om900510k","","","0.71073","MoKα","","0.0569","0.0447","","","0.07","0.0734","","","","","","0.88","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4069930","25.138","0.002","9.8971","0.0009","15.824","0.002","90","","90","","90","","3936.9","0.7","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H39 I O2 P2 Ru -","- C47 H39 I O2 P2 Ru -","- C188 H156 I4 O8 P8 Ru4 -","4","1","","Grounds, Helen; Anderson, James C.; Hayter, Barry; Blake, Alexander J.","A New Oxidative Addition of Ruthenium(0) into an Aryl Halide Bond and Subsequent Intermolecular C−H Insertion","Organometallics","2009","28","17","5289","","10.1021/om900510k","","","0.71073","MoKα","","0.066","0.0526","","","0.117","0.123","","","","","","1","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4069955","21.054","0.003","18.704","0.002","13.4708","0.0016","90","","90","","90","","5304.7","1.1","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H80 Mg2 N4 Si2 -","- C52 H80 Mg2 N4 Si2 -","- C208 H320 Mg8 N16 Si8 -","4","1","","Pi, Chengfu; Wan, Li; Gu, Yingying; Wu, Haoyu; Wang, Chengxi; Zheng, Wenjun; Weng, Linhong; Chen, Zhenxia; Yang, Xiaodian; Wu, Limin","Synthesis of Potassium−Magnesium Ate Complexes with a Bulky Diamido Ligand","Organometallics","2009","28","17","5281","","10.1021/om900532v","","","0.71073","MoKα","","0.0616","0.0464","","","0.1158","0.1294","","","","","","1.05","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4070333","20.407","0.003","10.1257","0.0012","15.793","0.002","90","","90","","90","","3263.4","0.7","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C40 H36 Fe N O P Si -","- C40 H36 Fe N O P Si -","- C160 H144 Fe4 N4 O4 P4 Si4 -","4","1","","Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Mehrkhodavandi, Parisa","Template Synthesis of Donor-Functionalized NX-Carbenes (X = P, Si)","Organometallics","2009","28","21","6370","","10.1021/om900725e","","","0.71073","MoKα","","0.0443","0.0311","","","0.0579","0.0618","","","","","","0.997","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070334","19.743","0.003","14.6563","0.0017","10.6223","0.0009","90","","90","","90","","3073.7","0.6","101","2","101","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H42 As2 O8 -","- C26 H42 As2 O8 -","- C104 H168 As8 O32 -","4","1","","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","","0.0374","0.0322","","","0.0725","0.0742","","","","","","1.023","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070351","20.5409","0.0005","8.1439","0.0002","11.5377","0.0003","90","","90","","90","","1930.06","0.08","150","2","150","2","","","","","","","Synthesized by the authors. See text","7","P n a 21","P 2c -2n","33","","","","- C17 H29 Br N Ni O P -","- C17 H29 Br N Ni O P -","- C68 H116 Br4 N4 Ni4 O4 P4 -","4","1","","Spasyuk, Denis M.; Zargarian, Davit; van der Est, Art","New POCN-Type Pincer Complexes of Nickel(II) and Nickel(III)","Organometallics","2009","28","22","6531","","10.1021/om900751f","","","1.54178","CuKα","","0.0219","0.0218","","","0.0573","0.0574","","","","","","1.106","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070352","21.13","0.0016","9.8048","0.0008","9.3608","0.0009","90","","90","","90","","1939.3","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","7","P n a 21","P 2c -2n","33","","","","- C17 H27 Br2 N Ni O2 P -","- C17 H27 Br2 N Ni O2 P -","- C68 H108 Br8 N4 Ni4 O8 P4 -","4","1","","Spasyuk, Denis M.; Zargarian, Davit; van der Est, Art","New POCN-Type Pincer Complexes of Nickel(II) and Nickel(III)","Organometallics","2009","28","22","6531","","10.1021/om900751f","","","1.54178","CuKα","","0.0362","0.0358","","","0.0869","0.0873","","","","","","1.044","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070458","13.8713","0.0012","7.0473","0.0006","13.8965","0.0012","90","","90","","90","","1358.5","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H15 B F4 Pt -","- C12 H15 B F4 Pt -","- C48 H60 B4 F16 Pt4 -","4","1","","Wu, Jianguo; Sharp, Paul R.","Reactivity and Stability of 2-Platinaoxetanes","Organometallics","2009","28","24","6935","","10.1021/om900828k","","","0.71073","MoKα","","0.0306","0.0242","","","0.0516","0.0535","","","","","","1.101","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070483","10.8906","0.0009","16.2569","0.0013","8.5031","0.0007","90","","90","","90","","1505.5","0.2","85","2","85","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H15 Br N2 Ni -","- C17 H15 Br N2 Ni -","- C68 H60 Br4 N8 Ni4 -","4","1","","Higgs, Andrew T.; Zinn, Paul J.; Simmons, Sarah J.; Sanford, Melanie S.","Oxidatively Induced Carbon−Halogen Bond-Forming Reactions at Nickel","Organometallics","2009","28","21","6142","","10.1021/om900849m","","","0.71073","MoKα","","0.0165","0.0162","","","0.0422","0.0423","","","","","","1.074","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070484","25.312","0.012","9.502","0.005","10.942","0.004","90","","90","","90","","2632","2","113","2","113","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H34 Cl2 O S Si Ti -","- C25 H34 Cl2 O S Si Ti -","- C100 H136 Cl8 O4 S4 Si4 Ti4 -","4","1","","Senda, Taichi; Hanaoka, Hidenori; Okado, Yoshiya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi","Titanium Complexes of Silicon-Bridged Cyclopentadienyl−Phenoxy Ligands Modified with Fused-Thiophene: Synthesis, Characterization, and Their Catalytic Performance in Copolymerization of Ethylene and 1-Hexene","Organometallics","2009","28","24","6915","","10.1021/om900853q","","","0.71075","MoKα","","0.0786","0.0568","","","0.1418","0.1664","","","","","","1.094","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070527","25.7528","0.0004","6.9451","0.0001","24.4159","0.0007","90","","90","","90","","4366.92","0.16","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 Cl3 N3 Pt -","- C21 H24 Cl3 N3 Pt -","- C168 H192 Cl24 N24 Pt8 -","8","2","","Batema, Guido D.; Lutz, Martin; Spek, Anthony L.; van Walree, Cornelis A.; Donegá, Celso de Mello; Meijerink, Andries; Havenith, Remco W. A.; Pérez-Moreno, Javier; Clays, Koen; Büchel, Michael; Dijken, Addy van; Bryce, David L.; van Klink, Gerard P. M.; Koten, Gerard van","Substituted 4,4′-Stilbenoid NCN-Pincer Platinum(II) Complexes. Luminescence and Tuning of the Electronic and NLO Properties and the Application in an OLED","Organometallics","2008","27","8","1690","","10.1021/om700352z","","","0.71073","MoKα","","0.0404","0.0309","","","0.0625","0.0654","","","","","","1.109","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070537","16.1229","0.0011","21.8507","0.0013","18.5574","0.0011","90","","90","","90","","6537.7","0.7","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C71 H90 B Fe N2 O Si2 U -","- C71 H90 B Fe N2 O Si2 U -","- C284 H360 B4 Fe4 N8 O4 Si8 U4 -","4","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","","0.1096","0.0689","","","0.1294","0.144","","","","","","1.079","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070779","10.7068","0.0007","10.3756","0.0007","14.2075","0.0009","90","","90","","90","","1578.3","0.18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","[Ir(ItBu)(CO)2Cl]","","","- C13 H20 Cl Ir N2 O2 -","- C13 H20 Cl Ir N2 O2 -","- C52 H80 Cl4 Ir4 N8 O8 -","4","1","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.026","0.0253","","","0.0614","0.0618","","","","","","1.042","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4071124","17.499","0.0002","15.7403","0.0002","17.3715","0.0002","90","","90","","90","","4784.8","0.1","120","1","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H51 Cl4 Fe N P2 -","- C55 H51 Cl4 Fe N P2 -","- C220 H204 Cl16 Fe4 N4 P8 -","4","1","","Montigny, Frédéric de; Argouarch, Gilles; Roisnel, Thierry; Toupet, Loic; Lapinte, Claude; Lam, Sally Chan-Fung; Tao, Chi-Hang; Yam, Vivian Wing-Wah","Syntheses, Structures, and Properties of Some Piano-Stool Iron Acetylides Bearing a Functional Anthracenyl Group","Organometallics","2008","27","8","1912","","10.1021/om701278e","","","0.71069","MoKα","","0.0347","0.0329","","","0.0889","0.0915","","","","","","1.044","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071152","18.8941","0.0017","8.8776","0.0008","11.9195","0.0011","90","","90","","90","","1999.3","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H18 Br N2 Ni P -","- C23 H18 Br N2 Ni P -","- C92 H72 Br4 N8 Ni4 P4 -","4","1","","Han, Fu-Bin; Zhang, Yu-Liang; Sun, Xiu-Li; Li, Bao-Guo; Guo, Yang-Hui; Tang, Yong","Synthesis and Characterization of Pyrrole-imine [N−NP] Nickel(II) and Palladium(II) Complexes and Their Applications to Norbornene Polymerization","Organometallics","2008","27","8","1924","","10.1021/om701297k","","","0.71073","MoKα","","0.0886","0.0777","","","0.2321","0.2415","","","","","","1.069","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071153","18.787","0.0018","8.8927","0.0009","11.8928","0.0012","90","","90","","90","","1986.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H18 Cl N2 Ni P -","- C23 H18 Cl N2 Ni P -","- C92 H72 Cl4 N8 Ni4 P4 -","4","1","","Han, Fu-Bin; Zhang, Yu-Liang; Sun, Xiu-Li; Li, Bao-Guo; Guo, Yang-Hui; Tang, Yong","Synthesis and Characterization of Pyrrole-imine [N−NP] Nickel(II) and Palladium(II) Complexes and Their Applications to Norbornene Polymerization","Organometallics","2008","27","8","1924","","10.1021/om701297k","","","0.71073","MoKα","","0.11","0.0507","","","0.074","0.0826","","","","","","0.899","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071154","18.8885","0.0013","8.9493","0.0007","11.9998","0.0009","90","","90","","90","","2028.4","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H18 Cl N2 P Pd -","- C23 H18 Cl N2 P Pd -","- C92 H72 Cl4 N8 P4 Pd4 -","4","1","","Han, Fu-Bin; Zhang, Yu-Liang; Sun, Xiu-Li; Li, Bao-Guo; Guo, Yang-Hui; Tang, Yong","Synthesis and Characterization of Pyrrole-imine [N−NP] Nickel(II) and Palladium(II) Complexes and Their Applications to Norbornene Polymerization","Organometallics","2008","27","8","1924","","10.1021/om701297k","","","0.71073","MoKα","","0.0555","0.0362","","","0.0496","0.0527","","","","","","0.773","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071407","26.234","0.007","16.479","0.005","6.3671","0.0018","90","","90","","90","","2752.6","1.4","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H37 Mn O3 -","- C32 H37 Mn O3 -","- C128 H148 Mn4 O12 -","4","1","","Price, Craig J.; Zeits, Paul D.; Reibenspies, Joseph H.; Miller, Stephen A.","Octamethyloctahydrodibenzofluorenyl: Electronic Comparisons between a Sterically Expanded Ligand and Its Cyclopentadienyl Analogues","Organometallics","2008","27","15","3722","","10.1021/om8001526","","","0.71073","MoKα","","0.0934","0.073","","","0.1706","0.1845","","","","","","1.036","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071418","9.5763","0.0006","19.3314","0.0012","17.4565","0.0009","90","","90","","90","","3231.6","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H39 B2 Fe2 N -","- C41 H39 B2 Fe2 N -","- C164 H156 B8 Fe8 N4 -","4","1","","Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Kassel, W. Scott; Rheingold, Arnold L.; Jäkle, Frieder","Examination of the Pyridine Binding to the Bifunctional Lewis Acid B,B′-Diphenyldiboradiferrocene","Organometallics","2008","27","13","3056","","10.1021/om8001608","","","1.54178","CuKα","","0.0807","0.0456","","","0.0829","0.0953","","","","","","0.938","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071467","16.288","0.003","15.495","0.003","8.3719","0.0017","90","","90","","90","","2112.9","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H26 Ag I N2 -","- C21 H26 Ag I N2 -","- C84 H104 Ag4 I4 N8 -","4","1","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.0529","0.0452","","","0.1049","0.1096","","","","","","1.044","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071568","30.143","0.003","12.9155","0.0015","18.608","0.002","90","","90","","90","","7244.3","1.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H50 B9 Cl2 Na O6 Zr -","- C22 H50 B9 Cl2 Na O6 Zr -","- C176 H400 B72 Cl16 Na8 O48 Zr8 -","8","2","","Wang, Yaorong; Liu, Dongmei; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metallacarboranes Containing the Ligand [Me2C(C5H4)(C2B9H10)]3−","Organometallics","2008","27","12","2825","","10.1021/om800235w","","","0.71073","MoKα","","0.13","0.0815","","","0.1988","0.2179","","","","","","1.106","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071635","18.3002","0.0003","9.116","0.0003","14.8054","0.0006","90","","90","","90","","2469.91","0.14","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C34 H26 Ni3 -","- C34 H26 Ni3 -","- C136 H104 Ni12 -","4","1","","Buchalski, Piotr; Grabowska, Ilona; Karaskiewicz, Anna; Suwińska, Kinga; Jerzykiewicz, Lucjan","Novel 9-Nickelafluorenyl Sandwich Complexes of Nickel(II) and Cobalt(II)","Organometallics","2008","27","13","3316","","10.1021/om8002834","","","0.71073","MoKα","","0.0387","0.0313","","","0.0654","0.0679","","","","","","1.042","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071784","16.821","0.0007","12.6397","0.0005","9.6412","0.0004","90","","90","","90","","2049.84","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H31 N O W -","- C24 H31 N O W -","- C96 H124 N4 O4 W4 -","4","1","","Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter","Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes","Organometallics","2008","27","18","4724","","10.1021/om800384z","","","0.71073","MoKα","","0.0222","0.0178","","","0.0373","0.0386","","","","","","1.035","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4072012","17.195","0.008","11.49","0.006","9.75","0.005","90","","90","","90","","1926.3","1.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H27 I Pd S2 -","- C16 H27 I Pd S2 -","- C64 H108 I4 Pd4 S8 -","4","1","","Grushin, Vladimir V.; Marshall, William J.","Fluorination of Nonactivated Haloarenes via Arynes under Mild Conditions, Resulting from Further Studies toward Ar−F Reductive Elimination from Palladium(II)","Organometallics","2008","27","19","4825","","10.1021/om800520e","","","0.71073","MoKα","","0.0497","0.0353","","","0.0673","0.074","","","","","","1.05","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072041","17.907","0.003","12.848","0.002","12.995","0.002","90","","90","","90","","2989.7","0.8","100","1","100","1","","","","","","","see text","4","P n a 21","P 2c -2n","33","","","","- C33 H46 La N3 -","- C33 H46 La N3 -","- C132 H184 La4 N12 -","4","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","","0.0947","0.0512","","","0.0961","0.1101","","","","","","0.963","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072050","20.064","0.001","10.051","0.002","12.233","0.003","90","","90","","90","","2466.9","0.8","100","1","100","1","","","","","","","see text","3","P n a 21","P 2c -2n","33","","","","- C29 H37 La -","- C29 H37 La -","- C116 H148 La4 -","4","1","","Quiroga Norambuena, Victor F.; Heeres, André; Heeres, Hero J.; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart","Synthesis, Structure, and Reactivity of Rare-Earth Metallocene η3-Propargyl/Allenyl Complexes","Organometallics","2008","27","21","5672","","10.1021/om800547n","","","0.71073","MoKα","","0.0768","0.0463","","","0.0891","0.099","","","","","","1.025","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072085","24.1236","0.0013","11.6068","0.0006","31.1183","0.0017","90","","90","","90","","8713.1","0.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H27 Cl N2 O11 Os4 -","- C32 H27 Cl N2 O11 Os4 -","- C256 H216 Cl8 N16 O88 Os32 -","8","2","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0874","0.0736","","","0.201","0.2146","","","","","","1.048","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072098","19.555","0.004","12.571","0.003","7.3292","0.0015","90","","90","","90","","1801.7","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 O5 P -","- C18 H19 O5 P -","- C72 H76 O20 P4 -","4","1","","Duan, Zheng; Zhang, Jianzhen; Tian, Rongqiang; Bai, Liuying; Mathey, Francois","Reinvestigation of the Reactions of 1-Phenyl-3,4-dimethylphosphole with Dimethyl Acetylenedicarboxylate","Organometallics","2008","27","19","5169","","10.1021/om8005867","","","0.71073","MoKα","","0.0433","0.0404","","","0.0997","0.1016","","","","","","1.121","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4072264","17.424","0.0013","9.493","0.0007","17.8481","0.0014","90","","90","","90","","2952.2","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H37 Cl2 P2 Si V -","- C29 H37 Cl2 P2 Si V -","- C116 H148 Cl8 P8 Si4 V4 -","4","1","","Shinohara, Akihiro; McBee, Jennifer; Waterman, Rory; Tilley, T. Don","Paramagnetic Vanadium Silyl Complexes: Synthesis, Structure, and Reactivity","Organometallics","2008","27","21","5717","","10.1021/om800712k","","","0.71073","MoKα","","0.0603","0.0335","","","0.0543","0.0564","","","","","","0.632","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072343","17.122","0.003","10.182","0.002","32.959","0.007","90","","90","","90","","5745.9","1.9","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C27 H39 Cl Co N3 O P2 -","- C216 H324 Cl8 Co8 N24 O8 P16 -","- C216 H324 Cl8 Co8 N24 O8 P16 -","1","0.25","","Wang, Aichen; Sun, Hongjian; Li, Xiaoyan","N-Assisted Carbon−Hydrogen Bond Activation by Cobalt(I) Complexes","Organometallics","2008","27","21","5434","","10.1021/om8007844","","","0.71073","MoKα","","0.114","0.0577","","","0.1333","0.1546","","","","","","0.853","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072383","11.476","0.0002","10.767","0.0002","12.971","0.0002","90","","90","","90","","1602.72","0.05","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","kjc0720","","","- C14 H25 Cl N2 Pd -","- C14 H25 Cl N2 Pd -","- C56 H100 Cl4 N8 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0385","0.0352","","","0.0964","0.0978","","","","","","1.144","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072385","17.938","0.0002","11.256","0.0003","18.367","0.0004","90","","90","","90","","3708.48","0.13","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","kjc0702","","","- C35 H45 B F4 N2 O3 P Pd -","- C35 H45 B F4 N2 O3 P Pd -","- C140 H180 B4 F16 N8 O12 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0844","0.0593","","","0.1036","0.1105","","","","","","1.074","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072386","15.22","0.0003","12.327","0.0003","19.148","0.0005","90","","90","","90","","3592.49","0.15","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","kjc0701","","","- C33 H60 B F4 N2 P Pd -","- C33 H60 B F4 N2 P Pd -","- C132 H240 B4 F16 N8 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0695","0.0534","","","0.1289","0.145","","","","","","1.046","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072458","29.775","0.005","15.007","0.002","7.3342","0.0012","90","","90","","90","","3277.2","0.9","110","2","110","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C39 H52 Hf -","- C39 H52 Hf -","- C156 H208 Hf4 -","4","1","","Irwin, Levi J.; Zeits, Paul D.; Reibenspies, Joseph H.; Miller, Stephen A.","Diffuse Diffraction from Parallel/Antiparallel Metallocene Pillars","Organometallics","2007","26","5","1129","","10.1021/om060435g","","","0.71073","MoKα","","0.0847","0.083","","","0.1852","0.1866","","","","","","1.056","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072459","29.75","0.006","14.98","0.003","7.3554","0.0017","90","","90","","90","","3278","1.2","110","2","110","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C39 H52 Zr -","- C39 H52 Zr -","- C156 H208 Zr4 -","4","1","","Irwin, Levi J.; Zeits, Paul D.; Reibenspies, Joseph H.; Miller, Stephen A.","Diffuse Diffraction from Parallel/Antiparallel Metallocene Pillars","Organometallics","2007","26","5","1129","","10.1021/om060435g","","","1.54178","CuKα","","0.1029","0.0858","","","0.1692","0.1785","","","","","","1.008","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072461","26.234","0.007","16.479","0.005","6.3671","0.0018","90","","90","","90","","2752.6","1.4","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H37 Mn O3 -","- C32 H37 Mn O3 -","- C128 H148 Mn4 O12 -","4","1","","Irwin, Levi J.; Zeits, Paul D.; Reibenspies, Joseph H.; Miller, Stephen A.","Diffuse Diffraction from Parallel/Antiparallel Metallocene Pillars","Organometallics","2007","26","5","1129","","10.1021/om060435g","","","0.71073","MoKα","","0.0934","0.073","","","0.1706","0.1845","","","","","","1.036","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072620","23.007","0.002","6.267","0.0006","10.0814","0.0012","90","","90","","90","","1453.6","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,2,2,5,5-Pentamethyl-4-phenylselenyl-2,5-dihydro-1H-imidazole-3-oxide","","- C14 H20 N2 O Se -","- C14 H20 N2 O Se -","- C56 H80 N8 O4 Se4 -","4","1","","Voinov, Maxim A.; Shevelev, Tikhon G.; Rybalova, Tatyana V.; Gatilov, Yury V.; Pervukhina, Natalie V.; Burdukov, Aleksei B.; Grigor'ev, Igor A.","α-Organoelement Nitrones: Synthesis, Properties, and IR and13C NMR Spectral and X-ray Structural Characterization†","Organometallics","2007","26","7","1607","","10.1021/om060883o","","","0.71073","MoKα","","0.0358","0.0316","","","0.0807","0.0838","","","","","","1.128","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072649","17.157","0.002","9.1406","0.001","14.2928","0.0013","90","","90","","90","","2241.5","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H30 Cl2 P2 Pt -","- C22 H30 Cl2 P2 Pt -","- C88 H120 Cl8 P8 Pt4 -","4","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","","0.0219","0.0203","","","0.0446","0.0452","","","","","","0.865","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072685","26.567","0.002","9.2095","0.0008","13.1111","0.0012","90","","90","","90","","3207.9","0.5","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H42 Au F3 O3 P2 S -","- C31 H42 Au F3 O3 P2 S -","- C124 H168 Au4 F12 O12 P8 S4 -","4","1","","Wile, Bradley M.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Au(I) Complexes Supported by Donor-Functionalized Indene Ligands: Synthesis, Characterization, and Catalytic Behavior in Aldehyde Hydrosilylation","Organometallics","2007","26","4","1069","","10.1021/om060948n","","","0.71073","MoKα","","0.0347","0.0268","","","0.0576","0.06","","","","","","1.074","","","","has coordinates,has disorder","178615","2020-10-21","18:00:00",""
"4072740","13.0207","0.0018","16.928","0.002","19.903","0.003","90","","90","","90","","4386.9","1","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C46 H40 Cl6 Fe N2 P2 Ru -","- C46 H40 Cl6 Fe N2 P2 Ru -","- C184 H160 Cl24 Fe4 N8 P8 Ru4 -","4","1","","Ma, Guibin; McDonald, Robert; Ferguson, Michael; Cavell, Ronald G.; Patrick, Brian O.; James, Brian R.; Hu, Thomas Q.","Ruthenium(II) Diphosphine/Diamine/Diimine Complexes and Catalyzed Hydrogen-Transfer to Ketones","Organometallics","2007","26","4","846","","10.1021/om060987z","","","0.71073","MoKα","","0.0913","0.0619","","","0.1366","0.1516","","","","","","1.062","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072808","25.2082","0.0012","9.8032","0.0005","16.0304","0.0008","90","","90","","90","","3961.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H57 Cl2 F2 N2 P Ru -","- C43 H57 Cl2 F2 N2 P Ru -","- C172 H228 Cl8 F8 N8 P4 Ru4 -","4","1","","Vougioukalakis, Georgios C.; Grubbs, Robert H.","Ruthenium Olefin Metathesis Catalysts Bearing anN-Fluorophenyl-N-Mesityl-Substituted UnsymmetricalN-Heterocyclic Carbene","Organometallics","2007","26","9","2469","","10.1021/om0610593","","","0.71073","MoKα","","0.0864","0.0607","","","0.0978","0.1016","","","","","","1.823","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4072968","23.6067","0.0015","9.6827","0.0006","16.084","0.001","90","","90","","90","","3676.4","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H63 O4 Si6 Tm -","- C25 H63 O4 Si6 Tm -","- C100 H252 O16 Si24 Tm4 -","4","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Synthesis and Structures of Ln(II) and Ln(III) Dialkyls Derived from LnI2(Ln = Nd, Tm, Yb)","Organometallics","2007","26","10","2646","","10.1021/om0611711","","","0.71073","MoKα","","0.0527","0.049","","","0.0897","0.0907","","","","","","1.372","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4073068","24.0009","0.0015","11.517","0.0007","16.6737","0.0011","90","","90","","90","","4608.9","0.5","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H50 Cl5 F6 P3 Ru -","- C45 H50 Cl5 F6 P3 Ru -","- C180 H200 Cl20 F24 P12 Ru4 -","4","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","","0.1092","0.0625","","","0.1282","0.142","","","","","","0.863","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073101","12.097","0.002","15.15","0.003","38.514","0.008","90","","90","","90","","7058","2","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H90 B2 F8 O2 P4 Pt2 -","- C58 H90 B2 F8 O2 P4 Pt2 -","- C232 H360 B8 F32 O8 P16 Pt8 -","4","1","","Schwartsburd, Leonid; Poverenov, Elena; Shimon, Linda J. W.; Milstein, David","Naphthyl-Based PCP Platinum Complexes. Nucleophilic Activation of Coordinated CO and Synthesis of a Pt(II) Formyl Complex","Organometallics","2007","26","11","2931","","10.1021/om0700720","","","0.71073","MoKα","","0.0634","0.0549","","","0.1524","0.1579","","","","","","1.059","","","","has coordinates,has disorder","178620","2020-10-21","18:00:00",""
"4073122","14.6421","0.0013","12.4541","0.0011","19.7153","0.0017","90","","90","","90","","3595.2","0.5","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H16 Cl2 F19 P2 Rh -","- C35 H16 Cl2 F19 P2 Rh -","- C140 H64 Cl8 F76 P8 Rh4 -","4","1","","Marr, Andrew C.; Nieuwenhuyzen, Mark; Pollock, Ciara L.; Saunders, Graham C.","Synthesis of Piano Stool Complexes Employing the Pentafluorophenyl-Substituted Diphosphine (C6F5)2PCH2P(C6F5)2and the Effect of Phosphine Modifiers on Hydrogen Transfer Catalysis","Organometallics","2007","26","10","2659","","10.1021/om070089i","","","0.71073","MoKα","","0.0705","0.0447","","","0.0856","0.0955","","","","","","1.017","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073125","17.933","0.003","9.7034","0.0016","21.676","0.004","90","","90","","90","","3771.9","1.1","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H17 B Cl F24 P2 Rh -","- C35 H17 B Cl F24 P2 Rh -","- C140 H68 B4 Cl4 F96 P8 Rh4 -","4","1","","Marr, Andrew C.; Nieuwenhuyzen, Mark; Pollock, Ciara L.; Saunders, Graham C.","Synthesis of Piano Stool Complexes Employing the Pentafluorophenyl-Substituted Diphosphine (C6F5)2PCH2P(C6F5)2and the Effect of Phosphine Modifiers on Hydrogen Transfer Catalysis","Organometallics","2007","26","10","2659","","10.1021/om070089i","","","0.71073","MoKα","","0.0626","0.0499","","","0.1254","0.1387","","","","","","1.029","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073179","28.334","0.012","12.367","0.005","13.407","0.006","90","","90","","90","","4698","3","208","2","208","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H73 Cr Li N3 O3 -","- C47 H73 Cr Li N3 O3 -","- C188 H292 Cr4 Li4 N12 O12 -","4","1","","Vidyaratne, Indu; Scott, Jennifer; Gambarotta, Sandro; Duchateau, Robbert","Reactivity of Chromium Complexes of a Bis(imino)pyridine Ligand: Highly Active Ethylene Polymerization Catalysts Carrying the Metal in a Formally Low Oxidation State","Organometallics","2007","26","13","3201","","10.1021/om0701423","","","0.71073","MoKα","","0.1481","0.0762","","","0.113","0.1334","","","","","","1.012","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073399","17.09","0.003","16.233","0.003","9.215","0.001","90","","90","","90","","2556.4","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H35 Cl P2 Ru -","- C25 H35 Cl P2 Ru -","- C100 H140 Cl4 P8 Ru4 -","4","1","","Basato, Marino; Biffis, Andrea; Buscemi, Gabriella; Callegaro, Elena; Polo, Mauro; Tubaro, Cristina; Venzo, Alfonso; Vianini, Chiara; Graiff, Claudia; Tiripicchio, Antonio; Benetollo, Franco","Reaction of Cyclopentadienyl Ruthenium Complexes with a Carborane Anion: Effect of the Spectator Ligands on the Substitution Site","Organometallics","2007","26","17","4265","","10.1021/om700305e","","","0.71073","MoKα","","0.0376","0.0362","","","0.0872","0.0887","","","","","","1.278","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073453","22.415","0.011","13.398","0.006","7.215","0.004","90","","90","","90","","2166.8","1.9","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H24 Cl N O S Ti -","- C23 H24 Cl N O S Ti -","- C92 H96 Cl4 N4 O4 S4 Ti4 -","4","1","","Zhang, Jun; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Ethylene Polymerization of Group IV Metal Complexes with Mono-Cp and Tridentate Aryloxide or Arylsulfide Ligands","Organometallics","2007","26","16","4042","","10.1021/om700338y","","","0.71073","MoKα","","0.1402","0.0539","","","0.0855","0.1002","","","","","","0.805","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073467","20.768","0.004","11.945","0.002","21.231","0.004","90","","90","","90","","5266.9","1.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C53 H72 Ag Ga N4 -","- C53 H72 Ag Ga N4 -","- C212 H288 Ag4 Ga4 N16 -","4","1","","Green, Shaun P.; Jones, Cameron; Mills, David P.; Stasch, Andreas","Group 9 and 11 Metal(I) Gallyl Complexes Stabilized by N-Heterocyclic Carbene Coordination: First Structural Characterization of Ga-M (M = Cu or Ag) Bonds","Organometallics","2007","26","14","3424","","10.1021/om700345m","","","0.71073","MoKα","","0.0536","0.0469","","","0.1193","0.1244","","","","","","1.019","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073509","23.151","0.002","11.0862","0.0009","16.9491","0.0014","90","","90","","90","","4350.1","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","04224","","","- C30 H66 K2 O3 Si4 -","- C30 H66 K2 O3 Si4 -","- C120 H264 K8 O12 Si16 -","4","1","","Quisenberry, Keith T.; Gren, Cameron K.; White, Rosemary E.; Hanusa, Timothy P.; Brennessel, William W.","Trimethylsilylated Allyl Complexes of the Heavy Alkali Metals, M[1,3-(SiMe3)2C3H3](thf)n(M = K, Cs)","Organometallics","2007","26","17","4354","","10.1021/om700410a","","","0.71073","MoKα","","0.0559","0.0422","","","0.1054","0.1177","","","","","","1.019","","","","has coordinates,has disorder","178624","2020-10-21","18:00:00",""
"4073793","8.5559","0.0005","37.035","0.002","8.0501","0.0005","90","","90","","90","","2550.8","0.3","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C34 H30 N4 -","- C34 H30 N4 -","- C136 H120 N16 -","4","1","","Jeletic, Matthew S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Mono- and Bimetallic Rhodium(I) Complexes Supported by NewC2-Symmetric Bis-N-heterocyclic Carbene Ligands: Metalation via CC Bond Cleavage under Mild Conditions","Organometallics","2007","26","22","5267","","10.1021/om700630u","","","0.71073","MoKα","","0.0599","0.0417","","","0.0877","0.0984","","","","","","0.994","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073904","37.508","0.002","9.1892","0.0006","13.7163","0.0009","90","","90","","90","","4727.6","0.5","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H68 Br2 P4 Pt2 -","- C40 H68 Br2 P4 Pt2 -","- C160 H272 Br8 P16 Pt8 -","4","1","","Heng, Wendy Yuqing; Hu, Jian; Yip, John H. K.","Attaching Gold and Platinum to the Rim of Pyrene: A Synthetic and Spectroscopic Study","Organometallics","2007","26","27","6760","","10.1021/om700716p","","","0.71073","MoKα","","0.1017","0.0571","","","0.112","0.1254","","","","","","1.016","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4073906","38.218","0.003","9.4235","0.0007","13.5115","0.001","90","","90","","90","","4866.1","0.6","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H67 Br3 P4 Pt2 -","- C40 H67 Br3 P4 Pt2 -","- C160 H268 Br12 P16 Pt8 -","4","1","","Heng, Wendy Yuqing; Hu, Jian; Yip, John H. K.","Attaching Gold and Platinum to the Rim of Pyrene: A Synthetic and Spectroscopic Study","Organometallics","2007","26","27","6760","","10.1021/om700716p","","","0.71073","MoKα","","0.089","0.0776","","","0.1688","0.1734","","","","","","1.184","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4073990","21.1976","0.001","17.2257","0.0008","8.8901","0.0004","90","","90","","90","","3246.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H46 O6 P2 Re2 -","- C26 H46 O6 P2 Re2 -","- C104 H184 O24 P8 Re8 -","4","1","","Adams, Richard D.; Captain, Burjor; Pellechia, Perry J.","Studies of Ligand Additions to Coordinatively Unsaturated Dirhenium Complexes Containing the Bulky PBut3Ligand","Organometallics","2007","26","26","6564","","10.1021/om700790c","","","0.71073","MoKα","","0.0334","0.0279","","","0.0626","0.0722","","","","","","1.078","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074082","19.157","0.0004","12.2804","0.0003","9.0897","0.0002","90","","90","","90","","2138.4","0.08","173","2","173","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C16 H37 N3 Si3 -","- C16 H37 N3 Si3 -","- C64 H148 N12 Si12 -","4","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","","0.0445","0.0375","","","0.0922","0.0968","","","","","","1.028","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074119","19.5585","0.001","13.4766","0.0006","9.7786","0.0013","90","","90","","90","","2577.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis-{1-methyl-3-isopropyl-imidazol-2-ylidene}(h2-diphenyl acethylene)nickel(0)","","- C28 H34 N4 Ni -","- C28 H34 N4 Ni -","- C112 H136 N16 Ni4 -","4","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.0666","0.0396","","","0.0728","0.0802","","","","","","0.982","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074166","21.854","0.004","17.372","0.004","14.901","0.003","90","","90","","90","","5657","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69 H65 N4 Rh Si -","- C69 H65 N4 Rh Si -","- C276 H260 N16 Rh4 Si4 -","4","1","","Zhang, Lirong; Chan, Kin Shing","Facile Synthesis of Rhodium(III) Porphyrin Silyls by Silicon−Hydrogen Bond Activation with Rhodium(III) Porphyrin Halides and Methyls","Organometallics","2006","25","20","4822","","10.1021/om0604472","","","0.71073","MoKα","","0.086","0.0664","","","0.1418","0.1512","","","","","","1.105","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074237","18.228","0.004","9.7071","0.0019","35.846","0.007","90","","90","","90","","6343","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H28 Co2 O6 Si3 -","- C28 H28 Co2 O6 Si3 -","- C224 H224 Co16 O48 Si24 -","8","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0573","0.0487","","","0.1031","0.1076","","","","","","1.007","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074425","17.3082","0.001","10.2818","0.0006","19.0494","0.0011","90","","90","","90","","3390","0.3","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H39 Cl3 O2 P2 Pt -","- C34 H39 Cl3 O2 P2 Pt -","- C136 H156 Cl12 O8 P8 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0494","0.0422","","","0.1037","0.1075","","","","","","1.007","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074431","14.607","0.003","17.019","0.005","13.356","0.003","90","","90","","90","","3320.3","1.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H16 Fe I N3 O -","- C16 H16 Fe I N3 O -","- C128 H128 Fe8 I8 N24 O8 -","8","2","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.0633","0.0455","","","0.1026","0.1073","","","","","","0.927","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074523","9.4138","0.0006","17.4475","0.0012","18.0247","0.0012","90","","90","","90","","2960.5","0.3","243","2","243","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H42 N O2 P3 W -","- C27 H42 N O2 P3 W -","- C108 H168 N4 O8 P12 W4 -","4","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","","0.0561","0.0288","","","0.0515","0.0564","","","","","","1.007","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074626","13.004","0.003","10.787","0.002","16.481","0.004","90","","90","","90","","2311.9","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H28 Al2 N4 -","- C24 H28 Al2 N4 -","- C96 H112 Al8 N16 -","4","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","","0.0717","0.0526","","","0.1154","0.1249","","","","","","1.051","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074745","16.9806","0.0015","19.8734","0.0017","6.9346","0.0006","90","","90","","90","","2340.2","0.4","143","1","143","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H36 B20 -","- C9 H36 B20 -","- C36 H144 B80 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.0945","0.0766","","","0.1956","0.2179","","","","","","0.985","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074783","9.2143","0.0008","20.6091","0.0018","16.3294","0.0014","90","","90","","90","","3100.9","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H46 N2 Zr -","- C34 H46 N2 Zr -","- C136 H184 N8 Zr4 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0711","0.0384","","","0.083","0.0931","","","","","","1.028","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074785","18.6067","0.0007","9.7437","0.0004","34.78","0.0013","90","","90","","90","","6305.5","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H98 Cl2 N4 Sn2 Zr2 -","- C58 H98 Cl2 N4 Sn2 Zr2 -","- C232 H392 Cl8 N16 Sn8 Zr8 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0769","0.0397","","","0.0905","0.1068","","","","","","1.074","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074825","15.2841","0.0004","13.7542","0.0004","9.0503","0.0002","90","","90","","90","","1902.56","0.09","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl2 N5 Ni O -","- C14 H25 Cl2 N5 Ni O -","- C56 H100 Cl8 N20 Ni4 O4 -","4","1","","Ajellal, Noureddine; Kuhn, Maria C. A.; Boff, Andressa D. G.; Hörner, Manfredo; Thomas, Christophe M.; Carpentier, Jean-François; Casagrande, Osvaldo L.","Nickel Complexes Based on Tridentate Pyrazolyl Ligands for Highly Efficient Dimerization of Ethylene to 1-Butene","Organometallics","2006","25","5","1213","1216","10.1021/om050920w","","","0.71073","MoKα","","0.028","0.0221","","","0.0673","0.0882","","","","","","1.246","","","","has coordinates","209816","2020-10-21","18:00:00",""
"4074967","16.77","0.002","15.807","0.002","27.35","0.004","90","","90","","90","","7250","1.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H27 F12 N3 -","- C39 H27 F12 N3 -","- C312 H216 F96 N24 -","8","2","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.2511","0.0759","","","0.1527","0.2231","","","","","","0.969","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4075001","14.718","0.0004","11.526","0.0004","13.066","0.0005","90","","90","","90","","2216.51","0.13","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","Compound2a","(2-trimethylsilylphenyl)diphenylmethylphosphonium iodide","","- C22 H26 I P Si -","- C22 H26 I P Si -","- C88 H104 I4 P4 Si4 -","4","1","","Kawachi, Atsushi; Yoshioka, Takahiro; Yamamoto, Yohsuke","Anionic 1,4-Silyl Migration in (2-(Trimethylsilyl)phenyl)phosphonium Methylides","Organometallics","2006","25","9","2390","","10.1021/om051080o","","","0.71069","MoKα","","0.0317","0.0286","","","0.0749","0.0841","","","","","","1.141","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075149","24.475","0.009","9.905","0.003","18.476","0.007","90","","90","","90","","4479","3","293.1","","","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C40 H50 Cl4 P Pd Ru2 S2 Sb -","- C40 H48 Cl4 P Pd Ru2 S2 Sb -","- C160 H192 Cl16 P4 Pd4 Ru8 S8 Sb4 -","4","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.043","","","","0.14","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075347","23.915","0.002","6.8674","0.0006","10.0743","0.0009","90","","90","","90","","1654.5","0.2","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 Fe N2 -","- C22 H16 Fe N2 -","- C88 H64 Fe4 N8 -","4","1","","Packheiser, Rico; Walfort, Bernhard; Lang, Heinrich","Heterobi- and Heterotrimetallic Transition Metal Complexes with Carbon-Rich Bridging Units","Organometallics","2006","25","19","4579","","10.1021/om0602355","","","0.71073","MoKα","","0.0677","0.0396","","","0.082","0.0918","","","","","","1.031","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075450","22.614","0.002","7.9747","0.0008","13.7454","0.0014","90","","90","","90","","2478.8","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","[NiCl(PCP-tBu)]","","","- C22 H41 Cl N2 Ni P2 -","- C22 H41 Cl N2 Ni P2 -","- C88 H164 Cl4 N8 Ni4 P8 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0409","0.0335","","","0.0787","0.0821","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075557","18.6748","0.0005","13.3529","0.0004","16.9723","0.0004","90","","90","","90","","4232.3","0.2","147","2","147","2","","","","","","","","5","P n a 21","P 2c -2n","33","iPrLZn2(OC(=CMe2)iPr)2 (2b)","","","- C42 H68 N4 O3 Zn2 -","- C42 H68 N4 O3 Zn2 -","- C168 H272 N16 O12 Zn8 -","4","1","","Hlavinka, Mark L.; Hagadorn, John R.","Structures of Zinc Ketone Enolates","Organometallics","2006","25","14","3501","","10.1021/om060367y","","","0.71073","MoKα","","0.0837","0.0527","","","0.107","0.1187","","","","","","1.007","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075647","15.7779","0.0015","9.1602","0.0009","14.0138","0.0014","90","","90","","90","","2025.4","0.3","190","2","190","2","","","","","","","see text","5","P n a 21","P 2c -2n","33","chlorotungstenocene diphenylstannyl chloride","","","- C22 H20 Cl2 Sn W -","- C22 H20 Cl2 Sn W -","- C88 H80 Cl8 Sn4 W4 -","4","1","","Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi","1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes","Organometallics","2005","24","16","3897","","10.1021/om049006d","","x-ray","0.71073","MoKα","","0.0571","0.0389","","","0.0844","0.0923","","","","","","1.006","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075685","7.626","0.0016","28.235","0.004","10.4316","0.0017","90","","90","","90","","2246.1","0.7","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H24 Br O P Pd -","- C26 H24 Br O P Pd -","- C104 H96 Br4 O4 P4 Pd4 -","4","1","","Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J.","Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation","Organometallics","2005","24","6","1119","","10.1021/om049131p","","","0.71073","MoKα","","0.0701","0.0613","","","0.1661","0.1732","","","","","","1.069","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075748","12.874","0.012","11.863","0.012","21.582","0.017","90","","90","","90","","3296","5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H44 N2 O Ru2 -","- C37 H44 N2 O Ru2 -","- C148 H176 N8 O4 Ru8 -","4","1","","Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki","Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment","Organometallics","2005","24","5","801","","10.1021/om049274b","","","0.71075","MoKα","","0.0523","0.0343","","","0.0571","0.0608","","","","","","0.921","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075752","8.1528","0.0003","18.2027","0.0004","11.9488","0.0004","90","","90","","90","","1773.24","0.1","150.1","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H22 Si2 -","- C20 H22 Si2 -","- C80 H88 Si8 -","4","1","","Yoshida, Hiroto; Ikadai, Junnai; Shudo, Miwa; Ohshita, Joji; Kunai, Atsutaka","Addition of Silicon−Silicon σ-Bonds to Arynes or Bisarynes Catalyzed by a Palladium Complex","Organometallics","2005","24","1","156","","10.1021/om049276w","","","0.7107","MoKα","","","0.034","","","","0.054","","","","","","0.859","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075846","21.2936","0.0011","12.1438","0.0006","12.0665","0.0007","90","","90","","90","","3120.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","{N,N'-(1,1-cyclopentylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)}-dichloro-palladium(II)","","- C31 H45 Cl2 N2 Pd -","- C31 H44 Cl2 N2 Pd -","- C124 H176 Cl8 N8 Pd4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.0377","0.0274","","","0.0618","0.0665","","","","","","1.002","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075871","29.717","0.01","11.72","0.003","6.498","0.002","90","","90","","90","","2263.1","1.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H23 P3 -","- C27 H23 P3 -","- C108 H92 P12 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0829","0.0366","","0.1009","0.085","","","","1.067","1.188","1.188","","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075879","16","0.008","13.449","0.007","17.474","0.008","90","","90","","90","","3760","3","453","2","453","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H29 B F15 P -","- C42 H29 B F15 P -","- C168 H116 B4 F60 P4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1796","0.0373","","","0.0365","0.0494","","","","","","0.593","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076185","11.5347","0.0015","26.847","0.004","6.4849","0.0009","90","","90","","90","","2008.2","0.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H32 Ag Cl N2 -","- C23 H32 Ag Cl N2 -","- C92 H128 Ag4 Cl4 N8 -","4","1","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.","Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes","Organometallics","2005","24","26","6301","","10.1021/om050735i","","","0.71073","MoKα","","0.0261","0.026","","","0.0657","0.0657","","","","","","1.177","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076266","14.8196","0.0005","6.271","0.0006","23.1693","0.0011","90","","90","","90","","2153.2","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 Fe2 S4 -","- C22 H22 Fe2 S4 -","- C88 H88 Fe8 S16 -","4","1","","Gibson, Vernon C.; Long, Nicholas J.; Long, Richard J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.; Grigiotti, Emanuela; Zanello, Piero","Synthesis, Characterization, and Metal Complexation of Unsymmetrical 1,1‘-Bis(organylthiolato)ferrocenes","Organometallics","2004","23","5","957","","10.1021/om034287v","","","1.54178","CuKα","","0.0611","0.0524","","0.1403","0.1316","","","","1.063","1.085","1.085","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076336","29.155","0.0002","7.113","0.0004","11.592","0.0007","90","","90","","90","","2403.9","0.2","150","2","150","2","","","","","","","synthesized by the authors","6","P n a 21","P 2c -2n","33","","","","- C11 H38 B18 Co N O -","- C11 H38 B18 Co N O -","- C44 H152 B72 Co4 N4 O4 -","4","1","","Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana","The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules","Organometallics","2012","31","5","1703","","10.1021/om200938n","","","0.71073","MoKα","","0.0398","0.0327","","","0.0736","0.078","","","","","","1.046","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076350","21.3469","0.0003","7.45","0.0006","10.1251","0.0011","90","","90","","90","","1610.2","0.2","150","1","150","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H14 B F4 Mo N3 O2 -","- C11 H14 B F4 Mo N3 O2 -","- C44 H56 B4 F16 Mo4 N12 O8 -","4","1","","Honzíček, Jan; Kratochvíl, Pavel; Vinklárek, Jaromír; Eisner, Aleš; Padělková, Zdeňka","Effect of the Substitution on the Protonation of Allyl Cyclopentadienyl Molybdenum(II) Compounds","Organometallics","2012","31","6","2193","","10.1021/om2010244","","","0.71073","MoKα","","0.0347","0.0279","","","0.0657","0.0697","","","","","","1.052","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076356","12.081","0.002","9.89","0.002","13.083","0.003","90","","90","","90","","1563.2","0.5","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H21 Co N2 O -","- C15 H21 Co N2 O -","- C60 H84 Co4 N8 O4 -","4","1","","Dürr, Simon; Zarzycki, Bartosz; Ertler, Daniel; Ivanović-Burmazović, Ivana; Radius, Udo","Aerobic CO Oxidation of a Metal-Bound Carbonyl in a NHC-Stabilized Cobalt Half-Sandwich Complex","Organometallics","2012","31","5","1730","","10.1021/om201037w","","","0.71073","MoKα","","0.0359","0.0298","","","0.068","0.0737","","","","","","1.087","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076446","13.617","0.0005","8.7826","0.0003","16.3065","0.0005","90","","90","","90","","1950.14","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","ser0135","ser0135","","- C19 H25 Cl2 Ir N2 -","- C19 H25 Cl2 Ir N2 -","- C76 H100 Cl8 Ir4 N8 -","4","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","","0.0473","0.0395","","","0.0755","0.0781","","","","","","1.074","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076488","20.471","0.004","10.096","0.002","11.032","0.002","90","","90","","90","","2280","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","LAlMe(Cl)","","","- C22 H32 Al Cl N2 -","- C22 H32 Al Cl N2 -","- C88 H128 Al4 Cl4 N8 -","4","1","","Yang, Ying; Zhao, Na; Zhu, Hongping; Roesky, Herbert W.","Syntheses and Reactions of Derivatives of (Pyrrolylaldiminato)germanium(II) and -Aluminum(III)","Organometallics","2012","31","5","1958","","10.1021/om201252k","","","0.71073","MoKα","","0.0466","0.037","","","0.0968","0.1057","","","","","","1.077","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076592","20.548","0.0005","16.9255","0.0003","15.8004","0.0003","90","","90","","90","","5495.1","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[K(2,2,2-crypt)][HPC(NHDipp)(NDipp)]","","- C43 H72 K N4 O6 P7 -","- C43 H72 K N4 O6 P7 -","- C172 H288 K4 N16 O24 P28 -","4","1","","Turbervill, Robert S. P.; Goicoechea, Jose M.","Hydrophosphination of Carbodiimides Using Protic Heptaphosphide Cages: A Unique Effect of the Bimodal Activity of Protonated Group 15 Zintl Ions","Organometallics","2012","31","6","2452","","10.1021/om300072z","","","1.5418","CuKα","","0.068","0.0483","","","0.1171","0.1315","","","","","","1.071","","","","has coordinates,has disorder","178654","2020-10-21","18:00:00",""
"4076690","14.919","0.005","12.783","0.002","7.393","0.002","90","","90","","90","","1409.9","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H10 Co F3 O6 -","- C14 H10 Co F2.97 O6 -","- C56 H40 Co4 F11.88 O24 -","4","1","","Braga, Dario; Cojazzi, Gianna; Emiliani, Dario; Maini, Lucia; Grepioni, Fabrizia","Reversible Gas−Solid Reactions between the Organometallic Zwitterion [(η5-C5H4COOH)(η5-C5H4COO)CoIII] and Vapors of Trifluoroacetic and Tetrafluoroboric Acids","Organometallics","2002","21","6","1315","","10.1021/om010936w","","","0.71073","MoKα","","0.0787","0.0395","","","0.1043","0.1252","","","","","","0.951","","","","has coordinates,has disorder","178655","2020-10-21","18:00:00",""
"4077026","19.1117","0.0002","8.2583","0.0001","12.0811","0.0002","90","","90","","90","","1906.76","0.04","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H32 O P3 Rh -","- C13 H32 O P3 Rh -","- C52 H128 O4 P12 Rh4 -","4","1","","Bleeke, John R.; Donnay, Edward; Rath, Nigam P.","Oxapentadienyl−Rhodium−Phosphine Chemistry1","Organometallics","2002","21","20","4099","","10.1021/om020429u","","","0.71073","MoKα","","0.0475","0.0402","","","0.0785","0.0809","","","","","","1.137","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077036","16.0468","0.0008","10.5316","0.0005","17.5815","0.0009","90","","90","","90","","2971.2","0.3","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","(dtbpm)Pt[C6H3(CF3)3],(3)","","","- C26 H41 F9 P2 Pt -","- C26 H41 F9 P2 Pt -","- C104 H164 F36 P8 Pt4 -","4","1","","Iverson, Carl N.; Lachicotte, Rene J.; Müller, Christian; Jones, William D.","η2-Coordination and C−H Activation of Electron-Poor Arenes","Organometallics","2002","21","24","5320","","10.1021/om020459x","","","0.71073","MoKα","","0.0209","0.0195","","","0.0474","0.048","","","","","","1.003","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077039","25.2091","0.001","12.482","0.0005","9.4183","0.0004","90","","90","","90","","2963.6","0.2","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","(dtbpm)Pt[C6H3(CF3)2]Cl,(12)","","","- C25 H41 Cl F6 P2 Pt -","- C25 H41 Cl F6 P2 Pt -","- C100 H164 Cl4 F24 P8 Pt4 -","4","1","","Iverson, Carl N.; Lachicotte, Rene J.; Müller, Christian; Jones, William D.","η2-Coordination and C−H Activation of Electron-Poor Arenes","Organometallics","2002","21","24","5320","","10.1021/om020459x","","","0.71073","MoKα","","0.0229","0.0195","","","0.0415","0.0423","","","","","","0.986","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077168","26.977","0.002","12.8293","0.001","11.6629","0.0009","90","","90","","90","","4036.5","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H61 B10 K O8 -","- C30 H61 B10 K O8 -","- C120 H244 B40 K4 O32 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes","Organometallics","2002","21","24","5415","","10.1021/om020809f","","","0.71073","MoKα","","0.1706","0.0745","","","0.1917","0.2548","","","","","","0.92","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077245","18.228","0.004","13.678","0.004","34.896","0.009","90","","90","","90","","8700","4","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H73 N6 Si4 Y -","- C30 H73 N6 Si4 Y -","- C240 H584 N48 Si32 Y8 -","8","2","","Lu, Zhiping; Yap, Glenn P. A.; Richeson, Darrin S.","Tetrasubstituted Guanidinate Anions as Supporting Ligands in Organoyttrium Chemistry","Organometallics","2001","20","4","706","","10.1021/om0009029","","","0.71073","MoKα","","0.133","0.0646","","","0.0981","0.1131","","","","","","1.054","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077267","18.5236","0.0003","11.1383","0.0002","13.2433","0.0001","90","","90","","90","","2732.38","0.07","160.2","","160.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H43 Cl2 N4 Ta -","- C24 H43 Cl2 N4 Ta -","- C96 H172 Cl8 N16 Ta4 -","4","1","","Schmidt, Joseph A. R.; Chmura, Stephen A.; Arnold, John","Alkyl and Alkylidene Tantalum−Lithium Complexes Supported by an Anionic Triazacyclononane Ligand","Organometallics","2001","20","6","1062","","10.1021/om0010621","","","0.7107","MoKα","","0.022","0.0162","","","0.0193","","","","","0.832","0.832","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077319","16.6947","0.0002","10.3351","0.0002","10.1463","0.0002","90","","90","","90","","1750.66","0.05","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H22 Cl2 N4 Zr -","- C14 H22 Cl2 N4 Zr -","- C56 H88 Cl8 N16 Zr4 -","4","1","","Huang, Jui-Hsien; Chi, Liang-Sheng; Yu, Ru-Ching; Jiang, George J.; Yang, Wei-Ta; Lee, Gene-Hsiang; Peng, Shie-Ming","Zirconium Complexes Containing Bidentate Pyrrole Ligands: Synthesis, Structural Characterization, and Ethylene Polymerization","Organometallics","2001","20","26","5788","","10.1021/om010198b","","","0.71073","MoKα","","0.0348","0.0284","","0.0563","0.0547","","","","1.042","1.062","1.062","","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077333","21.06","0.005","10.25","0.004","30.243","0.012","90","","90","","90","","6528","4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H46 N4 Si2 Ti -","- C28 H46 N4 Si2 Ti -","- C224 H368 N32 Si16 Ti8 -","8","2","","Trösch, Dominique J. M.; Collier, Philip E.; Bashall, Alan; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Radojevic, Sanja","C−N Coupling Reactions of Allenes and Methylacetylenes with an Imidotitanium Complex","Organometallics","2001","20","15","3308","","10.1021/om010253g","","","0.71073","MoKα","","0.2633","0.098","","","0.2162","0.2802","","","","","","0.904","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00",""
"4077431","23.7603","0.0004","14.6024","0.0003","13.9643","0.0003","90","","90","","90","","4845.02","0.17","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H51 Cl2 P3 Ru Si -","- C55 H50.01 Cl2 P3 Ru Si -","- C220 H200.04 Cl8 P12 Ru4 Si4 -","4","1","","Yardy, Nicholas M.; Lemke, Frederick R.; Brammer, Lee","RuH3(SiCl2Me)(PPh3)3: A Trihydridosilylruthenium Complex with Three Nonclassical Ru−H···Si Interactions","Organometallics","2001","20","26","5670","","10.1021/om010654w","","","0.71073","MoKα","","0.0272","0.0239","","","0.0634","0.0652","","","","","","0.997","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4077448","22.25","0.004","9.234","0.003","15.137","0.003","90","","90","","90","","3110","1.3","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C25 H45 F6 N2 O P Ru Si -","- C25 H45 F6 N2 O P Ru Si -","- C100 H180 F24 N8 O4 P4 Ru4 Si4 -","4","1","","Hayashida, Taizo; Nagashima, Hideo","Ruthenium Amidinato−Carbene Complexes Containing a Ru−Si Bond: Formation and Reversible α-Silyl Group Migration from the Metal to the Carbene Ligand","Organometallics","2001","20","24","4996","","10.1021/om010775w","","","0.71069","MoKα","","0.1777","0.0498","","","0.1263","0.173","","","","","","0.898","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077503","22.7155","0.0015","14.2639","0.0009","12.4956","0.0008","90","","90","","90","","4048.7","0.5","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H47 Cl2 Hf N3 P2 Si2 -","- C38 H47 Cl2 Hf N3 P2 Si2 -","- C152 H188 Cl8 Hf4 N12 P8 Si8 -","4","1","","Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.","Nucleophilic Reactivity of the Multiply Bonded Carbon Center in Group 4−Pincer Bis(iminophosphorano)methanediide Complexes","Organometallics","2000","19","18","3462","","10.1021/om000181d","","","0.71073","MoKα","","0.0528","0.0354","","","0.0727","0.0774","","","","","","0.941","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077507","16.089","0.005","16.576","0.005","8.216","0.005","90","0.005","90","0.005","90","0.005","2191.1","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H28 N4 O2 Pd -","- C22 H28 N4 O2 Pd -","- C88 H112 N16 O8 Pd4 -","4","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","","0.1246","0.0661","","0.1797","0.1586","","","","0.85","1.206","1.206","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077600","21.415","0.005","11.9136","0.0018","17.77","0.003","90","","90","","90","","4533.7","1.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H64 N6 O Si2 Ti -","- C41 H56 N6 O Si2 Ti -","- C164 H224 N24 O4 Si8 Ti4 -","4","1","","Bashall, Allan; Collier, Philip E.; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Pugh, Stephen M.; Radojevic, Sanja; Schubart, Martin; Scowen, Ian J.; Trösch, Dominique J. M.","C−C and C−N Coupling Reactions of an Imidotitanium Complex with Isocyanides","Organometallics","2000","19","23","4784","","10.1021/om0005710","","","0.71073","MoKα","","0.1681","0.0744","","","0.1486","0.1843","","","","","","0.97","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4078112","14.037","0.0007","19.5485","0.0009","11.3344","0.0005","90","","90","","90","","3110.2","0.3","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H44 Cl O P Ru2 S -","- C31 H44 Cl O P Ru2 S -","- C124 H176 Cl4 O4 P4 Ru8 S4 -","4","1","","Miyake, Yoshihiro; Moriyama, Taichi; Tanabe, Yoshiaki; Endo, Satoshi; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Hybrid Phosphido- and Hydrosulfido-Bridged Diruthenium Complexes: Transformations into Diruthenium and Tetraruthenium Complexes Bridged by Phosphido and Sulfido Ligands","Organometallics","2012","31","8","3292","","10.1021/om3001247","","","0.71075","MoKα","","","0.065","","","","0.1089","","","","","","1","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078204","7.7966","0.0004","31.8493","0.0015","11.5616","0.0005","90","","90","","90","","2870.9","0.2","155","2","155","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H24 Fe4 O6 P2 -","- C28 H24 Fe4 O6 P2 -","- C112 H96 Fe16 O24 P8 -","4","1","","Gimbert-Suriñach, Carolina; Bhadbhade, Mohan; Colbran, Stephen B.","Bridgehead Hydrogen Atoms Are Important: Unusual Electrochemistry and Proton Reduction at Iron Dimers with Ferrocenyl-Substituted Phosphido Bridges","Organometallics","2012","31","9","3480","","10.1021/om201126w","","","0.71073","MoKα","","0.0734","0.043","","","0.0716","0.0808","","","","","","1.059","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078317","16.478","0.009","9.777","0.006","12.313","0.007","90","","90","","90","","1984","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H72 Fe8 O16 Si8 -","- C72 H72 Fe8 O16 Si8 -","- C72 H72 Fe8 O16 Si8 -","1","0.25","","Zhu, Bolin; Chen, Yunfei; Shi, Wei; Li, Yuan; Hao, Xiaoting","Reactions of Doubly SiMe2-Bridged Bis(cyclopentadienyl) Complexes of Molybdenum and Iron Carbonyls: Competitive Ring-to-Metal Migrations of Hydrogen and SiMe2","Organometallics","2012","31","10","4046","","10.1021/om300305g","","","0.71073","MoKα","","0.0445","0.0316","","","0.0577","0.0612","","","","","","1.035","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078401","19.843","0.009","8.509","0.009","13.218","0.007","90","","90","","90","","2232","3","117","2","117","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H32 Cl5 N4 Nb2 -","- C12 H32 Cl5 N4 Nb2 -","- C48 H128 Cl20 N16 Nb8 -","4","1","","Tayebani, Maryam; Feghali, Khalil; Gambarotta, Sandro; Yap, Glenn","Molecular Rearrangements of a Low-Valent Niobium Amide: Ligand C−H Bond Oxidative Addition and Reductive Elimination","Organometallics","1998","17","19","4282","","10.1021/om980302y","","","0.71073","MoKα","","0.0361","0.0222","","0.059","0.0457","","","","1.051","1.047","1.047","","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078433","8.9564","0.0001","14.6923","0.0002","16.573","0.0002","90","","90","","90","","2180.84","0.05","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H23 N3 O2 Pt -","- C26 H23 N3 O2 Pt -","- C104 H92 N12 O8 Pt4 -","4","1","","Fuertes, Sara; Woodall, Christopher H.; Raithby, Paul R.; Sicilia, Violeta","Heteropolynuclear Pt(II)‒M(I) Clusters with a C∧N∧C Biscyclometalated Ligand","Organometallics","2012","31","11","4228","","10.1021/om300170j","","","1.5418","CuKα","","0.0321","0.0281","","","0.0683","0.0707","","","","","","1.099","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078507","24.476","0.002","15.3364","0.0018","12.3243","0.0011","90","","90","","90","","4626.2","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","4","","","- C32 H60 O14 Pd4 -","- C32 H60 O14 Pd4 -","- C128 H240 O56 Pd16 -","4","1","","Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie","Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2‒Pd or C3‒Pd Bond Selectivity","Organometallics","2012","31","12","4397","","10.1021/om300284t","","","0.71073","MoKα","","0.0844","0.0521","","","0.1258","0.1507","","","","","","1.063","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078565","20.2299","0.0016","11.6441","0.0009","7.4979","0.0006","90","","90","","90","","1766.2","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H22 B10 Fe -","- C13 H22 B10 Fe -","- C52 H88 B40 Fe4 -","4","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","","0.0511","0.0418","","","0.0995","0.1058","","","","","","1.065","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078643","18.276","0.001","10.68","0.002","16.189","0.001","90","","90","","90","","3159.9","0.6","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H38 O3 P2 Ru -","- C37 H38 O3 P2 Ru -","- C148 H152 O12 P8 Ru4 -","4","1","","Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.","Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry","Organometallics","2012","31","15","5262","","10.1021/om300157w","","","0.71073","MoKα","","0.025","0.024","","0.043","","0.042","","","1.052","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078645","17.869","0.002","10.541","0.001","16.184","0.002","90","","90","","90","","3048.4","0.6","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 O3 P2 Ru -","- C36 H36 O3 P2 Ru -","- C144 H144 O12 P8 Ru4 -","4","1","","Bowie, John H.; Bruce, Michael I.; Buntine, Mark A.; Gentleman, Alexander S.; Graham, David C.; Low, Paul J.; Metha, Gregory F.; Mitchell, Cassandra; Parker, Christian R.; Skelton, Brian W.; White, Allan H.","Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry","Organometallics","2012","31","15","5262","","10.1021/om300157w","","","0.71073","MoKα","","0.036","0.034","","0.067","","0.056","","","1.27","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078801","17.873","0.0007","11.1005","0.0005","27.0007","0.0009","90","","90","","90","","5356.9","0.4","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H88 Ir2 O2 Si2 Ta2 -","- C48 H37 Ir2 O2 Si2 Ta2 -","- C192 H148 Ir8 O8 Si8 Ta8 -","4","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.074","0.0594","","","0.1432","0.1534","","","","","","1.048","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4079009","16.7686","0.0013","9.3871","0.0007","40.076","0.003","90","","90","","90","","6308.3","0.8","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C38 H54 Zr -","- C38 H54 Zr -","- C304 H432 Zr8 -","8","2","","McGovern, Gregory P.; Hung-Low, Fernando; Tye, Jesse W.; Bradley, Christopher A.","Synthesis and Reactivity Studies of Benzo-Substituted Bis(indenyl) Iron and Zirconium Complexes: The Difference a Methyl Group Can Make","Organometallics","2012","31","10","3865","","10.1021/om2011563","","","0.71073","MoKα","","0.0427","0.0344","","","0.0882","0.0916","","","","","","1.015","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079032","23.948","0.006","8.3943","0.0019","20.504","0.004","90","","90","","90","","4121.9","1.6","273","","273","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H12 Cu F3 N4 O -","- C9 H12 Cu F3 N4 O -","- C108 H144 Cu12 F36 N48 O12 -","12","3","","Zhang, Cheng-Pan; Vicic, David A.","Oxygen-Bound Trifluoromethoxide Complexes of Copper and Gold","Organometallics","2012","31","22","7812","","10.1021/om3002747","","","0.71075","MoKα","","","0.1291","","","","0.3851","","","","","","1","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079110","13.9067","0.0002","21.2398","0.0003","12.3711","0.0002","90","","90","","90","","3654.12","0.09","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C24 H41 Cl4 Co N2 O11 P3 Ru -","- C24 H41 Cl4 Co N2 O11 P3 Ru -","- C96 H164 Cl16 Co4 N8 O44 P12 Ru4 -","4","1","","Ip, Ho-Fai; So, Yat-Ming; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium-Mediated Double C‒H Activation of Toluene with 1-Azidoadamantane","Organometallics","2012","31","19","7020","","10.1021/om300499x","","","1.54178","CuKα","","0.0436","0.0371","","","0.078","0.0794","","","","","","1.024","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079115","9.1602","0.0002","37.6073","0.0009","8.8171","0.0002","90","","90","","90","","3037.41","0.12","183","2","183","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H47 Ca I O5 -","- C27 H47 Ca I O5 -","- C108 H188 Ca4 I4 O20 -","4","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.084","0.04","","","0.0618","0.0723","","","","","","0.928","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079144","35.772","0.002","13.073","0.003","14.102","0.005","90","","90","","90","","6595","3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2,6-diisopropyl-phenyl)-[(2-isopropyl-phenyl)-[6-(1H-pyrrol-2-yl)- pyridin-2-yl]-methyl]-amine-bis(dimethylamino) -Hafnium","","- C35 H47 Hf N5 -","- C35 H47 Hf N5 -","- C280 H376 Hf8 N40 -","8","2","","Li, Gang; Lamberti, Marina; Roviello, Giuseppina; Pellecchia, Claudio","New Titanium and Hafnium Complexes Bearing [−NNN‒] Pyrrolylpyridylamido Ligands as Olefin Polymerization Catalysts","Organometallics","2012","31","19","6772","","10.1021/om300519s","","","0.71073","MoKα","","0.0374","0.0297","","","0.0501","0.0516","","","","","","1.123","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079199","18.704","0.005","13.274","0.004","8.821","0.004","90","","90","","90","","2190.1","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H34 Fe Si3 -","- C20 H34 Fe Si3 -","- C80 H136 Fe4 Si12 -","4","1","","Braunschweig, Holger; Damme, Alexander; Hammond, Kai; Mager, Julian","Synthesis and Structure of New [3]Silametallocenophanes of Group 8 Metals","Organometallics","2012","31","17","6317","","10.1021/om300564y","","","0.71073","MoKα","","0.0169","0.0164","","","0.0435","0.0438","","","","","","1.083","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079220","18.1396","0.0018","12.426","0.0012","16.6718","0.0017","90","","90","","90","","3757.9","0.6","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H37 Cl2 O2 P2 Re -","- C41 H37 Cl2 O2 P2 Re -","- C164 H148 Cl8 O8 P8 Re4 -","4","1","","Poon, Ka Chun; Shi, Chuan; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Synthesis of Alkenyl Ylide Complexes from Reactions of ReOCl2(OEt)(PPh3)2with Alkynols","Organometallics","2012","31","20","7085","","10.1021/om3005788","","","0.71073","MoKα","","0.0509","0.0373","","","0.0714","0.0758","","","","","","1.021","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079234","16.1586","0.0008","8.8804","0.0004","20.4565","0.0011","90","","90","","90","","2935.4","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","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","","0.0455","0.0432","","","0.1054","0.1068","","","","","","1.042","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079301","26.42","0.005","15.661","0.003","10.368","0.002","90","","90","","90","","4289.9","1.4","173","2","173","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","compound 7","","","- C50 H56 Cl N O P2 Ru -","- C50 H56 Cl N O P2 Ru -","- C200 H224 Cl4 N4 O4 P8 Ru4 -","4","1","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","x-ray","0.71073","MoKα","","0.0724","0.0518","","","0.1015","0.1099","","","","","","1.079","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4079439","14.8173","0.0005","9.6377","0.0003","15.6977","0.0006","90","","90","","90","","2241.71","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H27 Cr N -","- C28 H27 Cr N -","- C112 H108 Cr4 N4 -","4","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0513","0.0361","","","0.0702","0.0766","","","","","","1.022","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079444","15.458","0.002","9.149","0.0013","14.479","0.002","90","","90","","90","","2047.7","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H31 Cr2 N -","- C24 H31 Cr2 N -","- C96 H124 Cr8 N4 -","4","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0478","0.0344","","","0.0627","0.0667","","","","","","1.018","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079481","35.4431","0.0013","12.4199","0.0005","14.3911","0.0005","90","","90","","90","","6335","0.4","200.1","","200.1","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C75 H60 O3 P5 Rh3 -","- C75 H60 O3 P5 Rh3 -","- C300 H240 O12 P20 Rh12 -","4","1","","Kameo, Hajime; Nakazawa, Hiroshi","Synthesis of a Rhodium Complex Featuring the Rh‒H‒B Linkage via a Hydride Migration from Rhodium to Borane: Study on the Electronic Deviation Induced by the Presence of the Boron Moiety","Organometallics","2012","31","21","7476","","10.1021/om300762u","","","0.7107","MoKα","","","0.0347","","","","0.0759","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079503","17.834","0.008","14.41","0.006","17.834","0.008","90","","90","","90","","4583","3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H59 B N12 O P Y -","- C35 H47 B N13 O P Y -","- C140 H188 B4 N52 O4 P4 Y4 -","4","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","","0.1131","0.085","","","0.2306","0.2477","","","","","","0.966","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079509","23.5818","0.0007","10.3225","0.0003","6.3947","0.0002","90","","90","","90","","1556.62","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H13 O5 P W -","- C13 H13 O5 P W -","- C52 H52 O20 P4 W4 -","4","1","","Ho, Feny; Li, Yongxin; Mathey, François","Role of Steric Strain in the Chemistry of Phosphiranes","Organometallics","2012","31","23","8456","","10.1021/om3007807","","","0.71073","MoKα","","0.0491","0.0329","","","0.0603","0.0638","","","","","","1.147","","","","has coordinates,has disorder","178684","2020-10-21","18:00:00",""
"4079724","16.981","0.004","15.637","0.004","12.337","0.003","90","","90","","90","","3275.9","1.4","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","8","","","- C30 H50 Cl N3 O2 Si2 -","- C30 H50 Cl N3 O2 Si2 -","- C120 H200 Cl4 N12 O8 Si8 -","4","1","","Cui, Haiyan; Ma, Bing; Cui, Chunming","Metal-Free, Stereospecific Bis-Silylation of Functionalized Alkynes with NHC-Supported Silylaminosilylene","Organometallics","2012","31","21","7339","","10.1021/om3009958","","","1.54178","CuKα","","0.0459","0.0454","","","0.097","0.0973","","","","","","1.225","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079779","15.66085","0.00011","7.84372","0.00012","28.7165","0.0005","90","","90","","90","","3527.52","0.09","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H21 P -","- C23 H21 P -","- C184 H168 P8 -","8","2","","Lyaskovskyy, Volodymyr; van Dijk-Moes, Relinde J. A.; Burck, Sebastian; Dzik, Wojciech I.; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; de Bruin, Bas; Lammertsma, Koop","Dibenzo[b,f]phosphepines: Novel Phosphane‒Olefin Ligands for Transition Metals","Organometallics","2013","32","2","363","","10.1021/om301012z","","","0.71073","MoKα","","0.0373","0.0315","","","0.0797","0.0833","","","","","","1.053","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079841","18.637","0.001","10.657","0.001","34.465","0.001","90","","90","","90","","6845.2","0.8","396","2","396","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H43 B Li2 O4 P2 S -","- C33 H43 B Li2 O4 P2 S -","- C264 H344 B8 Li16 O32 P16 S8 -","8","2","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.0481","0.0474","","","0.1261","0.1268","","","","","","1.078","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079933","22.5033","0.0008","9.8583","0.0004","13.5324","0.0005","90","","90","","90","","3002.1","0.2","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H28 Mo N4 O3 P2 -","- C32 H28 Mo N4 O3 P2 -","- C128 H112 Mo4 N16 O12 P8 -","4","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","","0.0266","0.0224","","","0.0481","0.0499","","","","","","1.01","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4080034","25.7847","0.0006","9.9052","0.0002","16.9885","0.0004","90","","90","","90","","4338.91","0.17","193","2","193","2","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C39.35 H37.6 Au Cl5.1 Ga O0.45 P2 Si -","- C39.35 H37.6 Au Cl5.1 Ga O0.45 P2 Si -","- C157.4 H150.4 Au4 Cl20.4 Ga4 O1.8 P8 Si4 -","4","1","","Joost, Maximilian; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","σ-SiH Complexes of Copper: Experimental Evidence and Computational Analysis","Organometallics","2013","32","3","898","","10.1021/om301211c","","x-ray","0.71073","MoKα","","0.0401","0.027","","","0.0543","0.0582","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080152","26.147","0.015","14.062","0.008","8.548","0.005","90","","90","","90","","3143","3","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","MePNPRh(II) para-fluorophenoxide","","","- C32 H44 F N O P2 Rh -","- C32 H44 F N O P2 Rh -","- C128 H176 F4 N4 O4 P8 Rh4 -","4","1","","Smith, Dan A.; Herbert, David E.; Walensky, Justin R.; Ozerov, Oleg V.","Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen","Organometallics","2013","32","7","2050","","10.1021/om300760j","","","0.71073","MoKα","","0.0436","0.0332","","","0.0652","0.0693","","","","","","1.02","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080369","7.8386","0.0005","21.0217","0.0013","7.4554","0.0005","90","","90","","90","","1228.51","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl3 N O2 Si -","- C8 H12 Cl3 N O2 Si -","- C32 H48 Cl12 N4 O8 Si4 -","4","1","","Sohail, Muhammad; Bassindale, Alan R.; Taylor, Peter G.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Synthesis and Hydrolysis‒Condensation Study of Water-Soluble Self-Assembled Pentacoordinate Polysilylamides","Organometallics","2013","32","6","1721","","10.1021/om301137b","","","0.71073","MoKα","","0.0441","0.0361","","","0.0804","0.084","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080401","9.5099","0.0006","32.01","0.003","7.6128","0.0006","90","","90","","90","","2317.4","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H38 B P -","- C28 H38 B P -","- C112 H152 B4 P4 -","4","1","","Doherty, Simon; Knight, Julian G.; Ward, Nicholas A. B.; Bittner, Dror M.; Wills, Corinne; McFarlane, William; Clegg, William; Harrington, Ross W.","Electron-Rich Trialkyl-Type Dihydro-KITPHOS Monophosphines: Efficient Ligands for Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling. Comparison with Their Biaryl-Like KITPHOS Monophosphine Counterparts","Organometallics","2013","32","6","1773","","10.1021/om3011992","","","0.71073","MoKα","","0.0663","0.055","","","0.1108","0.1168","","","","","","1.099","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080440","23.7036","0.0013","12.0562","0.0007","12.2266","0.0006","90","","90","","90","","3494.1","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H50 Cr N2 -","- C41 H50 Cr N2 -","- C164 H200 Cr4 N8 -","4","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","","0.1367","0.0543","","","0.0914","0.1194","","","","","","0.998","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080449","22.425","0.003","13.1236","0.0015","20.074","0.002","90","","90","","90","","5907.7","1.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24.5 H40 B Cl2 N9 O Ru -","- C24.5 H40 B Cl2 N9 O Ru -","- C196 H320 B8 Cl16 N72 O8 Ru8 -","8","2","","Kumar, Mukesh; DePasquale, Joseph; White, Nicholas J.; Zeller, Matthias; Papish, Elizabeth T.","Ruthenium Complexes of Triazole-Based Scorpionate Ligands Transfer Hydrogen to Substrates under Base-Free Conditions","Organometallics","2013","32","7","2135","","10.1021/om301260j","","","0.71073","MoKα","","0.0203","0.019","","","0.0482","0.0494","","","","","","1.043","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080566","33.5527","0.0008","14.4432","0.0003","12.7234","0.0003","90","","90","","90","","6165.9","0.2","93","","93","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C60 H55 B Cl2 F24 Mo P2 Zr -","- C60 H55 B Cl2 F24 Mo P2 Zr -","- C240 H220 B4 Cl8 F96 Mo4 P8 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.0458","","","","0.0991","","","","","","1","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080600","21.3369","0.0006","14.7821","0.001","12.528","0.0011","90","","90","","90","","3951.4","0.5","150","2","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H54 N4 O3 Si Sn2 -","- C38 H54 N4 O3 Si Sn2 -","- C152 H216 N16 O12 Si4 Sn8 -","4","1","","Padělková, Zdeňka; Švec, Petr; Kampová, Hana; Sýkora, Jan; Semler, Miloslav; Štěpnička, Petr; Bakardjieva, Snejana; Willem, Rudolph; Růžička, Aleš","Unusual Reactivity of a C,N-Chelated Stannylene with Siloxanes and Silanols","Organometallics","2013","32","8","2398","","10.1021/om400123y","","","0.71073","MoKα","","0.0604","0.0359","","","0.059","0.0662","","","","","","1.053","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080661","21.1588","0.0007","29.4711","0.001","9.1006","0.0003","90","","90","","90","","5674.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H72 I2 P4 Pt2 -","- C52 H72 I2 P4 Pt2 -","- C208 H288 I8 P16 Pt8 -","4","1","","Wu, Nai-Wei; Zhang, Jing; Ciren, Deji; Han, Qing; Chen, Li-Jun; Xu, Lin; Yang, Hai-Bo","Construction of Supramolecular Pyrene-Modified Metallacycles via Coordination-Driven Self-Assembly and Their Spectroscopic Behavior","Organometallics","2013","32","9","2536","","10.1021/om301108s","","","0.71073","MoKα","","0.0329","0.0278","","","0.0644","0.0671","","","","","","1.045","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080714","25.766","0.002","13.5773","0.0011","17.9154","0.0015","90","","90","","90","","6267.4","0.9","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H47 La O Si3 -","- C28 H47 La O Si3 -","- C224 H376 La8 O8 Si24 -","8","2","","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","","0.068","0.0655","","","0.161","0.1631","","","","","","1.143","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080858","28.1082","0.0011","11.7188","0.0005","12.0896","0.0005","90","","90","","90","","3982.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H65 B Fe N P3 -","- C41 H65 B Fe N P3 -","- C164 H260 B4 Fe4 N4 P12 -","4","1","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","0.71073","MoKα","","0.0531","0.0369","","","0.0807","0.0878","","","","","","0.944","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4081046","9.1014","0.0005","23.4725","0.0013","8.9432","0.0005","90","","90","","90","","1910.56","0.18","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 Pt -","- C24 H22 N2 Pt -","- C96 H88 N8 Pt4 -","4","1","","McKeown, Bradley A.; Gonzalez, Hector Emanuel; Michaelos, Thoe; Gunnoe, T. Brent; Cundari, Thomas R.; Crabtree, Robert H.; Sabat, Michal","Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible Platinum(II) Catalyst Scaffold","Organometallics","2013","32","14","3903","","10.1021/om400390e","","","0.71073","MoKα","","0.0548","0.0501","","","0.1229","0.1247","","","","","","1.565","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081273","22.595","0.006","18.131","0.004","10.48","0.003","90","","90","","90","","4293.3","1.9","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H53 D6 I3 N2 U -","- C41 H59 I3 N2 U -","- C164 H236 I12 N8 U4 -","4","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","","0.0223","0.0194","","","0.0454","0.0466","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081291","11.1619","0.0007","11.8595","0.0009","18.5571","0.0012","90","","90","","90","","2456.5","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H26 N8 O -","- C29 H26 N8 O -","- C116 H104 N32 O4 -","4","1","","Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.","Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance","Organometallics","2013","32","18","5071","","10.1021/om4005059","","","0.71073","MoKα","","0.0713","0.0466","","","0.0902","0.1022","","","","","","1.019","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081331","33.789","0.009","12.687","0.004","12.974","0.004","90","","90","","90","","5562","3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C55 H45 B F24 N Os P -","- C53.85 H43.35 B F23.997 N0.95 Os P -","- C215.4 H173.4 B4 F95.988 N3.8 Os4 P4 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; López, Fernando; Mascareñas, José L.; Mozo, Silvia; Oñate, Enrique; Saya, Luc\?ía","Osmium Models of Intermediates Involved in Catalytic Reactions of Alkylidenecyclopropanes","Organometallics","2013","32","17","4851","","10.1021/om400597q","","","0.71073","MoKα","","0.0989","0.0788","","","0.2101","0.2244","","","","","","1.039","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081356","11.562","0.0009","17.6183","0.0015","16.6864","0.0014","90","","90","","90","","3399.1","0.5","98","2","98","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H57 N Ni P2 -","- C37 H57 N Ni P2 -","- C148 H228 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis, Characterization, and Catalytic Activity of Nickel(II) Alkyl Complexes Supported by Pyrrole‒Diphosphine Ligands","Organometallics","2013","32","16","4656","","10.1021/om400630q","","","0.71073","MoKα","","0.0273","0.0267","","","0.0626","0.063","","","","","","0.99","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081460","23.0241","0.0015","37.2937","0.0013","11.0391","0.0006","90","","90","","90","","9478.8","0.9","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[K(2,2,2-crypt)][Zn(mes)(THF)(Et3Al:IPr-H)2]","","- C93 H147 Al2 K N6 O6 Zn -","- C93 H147 Al2 K N6 O6 Zn -","- C372 H588 Al8 K4 N24 O24 Zn4 -","4","1","","Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.","Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes","Organometallics","2013","32","18","5190","","10.1021/om400728u","","","1.54178","CuKα","","0.0749","0.0594","","","0.1574","0.169","","","","","","1.043","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081495","18.6496","0.0008","10.0057","0.0004","9.328","0.0003","90","","90","","90","","1740.63","0.12","115","2","115","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H25 Fe N -","- C22 H25 Fe N -","- C88 H100 Fe4 N4 -","4","1","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0382","0.0342","","","0.0731","0.0767","","","","","","1.086","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081532","16.968","0.0002","20.8368","0.0002","17.5847","0.0002","90","","90","","90","","6217.23","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H56 Fe N2 -","- C32 H56 Fe N2 -","- C256 H448 Fe8 N16 -","8","2","","Kreye, Markus; Baabe, Dirk; Schweyen, Peter; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Walter, Marc D.","Synthesis and Reactivity of Sterically Encumbered Diazaferrocenes","Organometallics","2013","32","20","5887","","10.1021/om400474e","","","1.54184","CuKα","","0.0304","0.0288","","","0.0714","0.0724","","","","","","1.031","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081594","20.3646","0.0004","19.0445","0.0004","27.7836","0.0006","90","","90","","90","","10775.4","0.4","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C55 H43 B F7 Fe O3 P3 Pt -","- C55 H43 B F7 Fe O3 P3 Pt -","- C440 H344 B8 F56 Fe8 O24 P24 Pt8 -","8","2","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0616","0.0403","","","0.0958","0.0979","","","","","","1.081","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081730","15.4714","0.0015","14.2669","0.0014","7.4916","0.0007","90","","90","","90","","1653.6","0.3","153","1","153","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H23 Cl Fe -","- C20 H23 Cl Fe -","- C80 H92 Cl4 Fe4 -","4","1","","Henne, Florian D.; Schnöckelborg, Eva-Maria; Feldmann, Kai-Oliver; Grunenberg, Jörg; Wolf, Robert; Weigand, Jan J.","Observation of a Chloride-Bridged P‒P Bond in the Phosphorus Cation [L(Cl)P(μ-Cl)P(Cl)L]+(L = NHC)","Organometallics","2013","32","22","6674","","10.1021/om4002268","","","0.71073","MoKα","","0.0397","0.0376","","","0.0838","0.0855","","","","","","1.038","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081793","38.0942","0.001","11.4367","0.0004","17.0337","0.0005","90","","90","","90","","7421.1","0.4","100","","100","","","","","","","","Synthesized by the authors. See text","7","P n a 21","P 2c -2n","33","","","","- C34 H42 F6 N4 O6 S2 Zr -","- C34 H42 F6 N4 O6 S2 Zr -","- C272 H336 F48 N32 O48 S16 Zr8 -","8","2","","El-Zoghbi, Ibrahim; Kebdani, Myriam; Whitehorne, Todd J. J.; Schaper, Frank","Selective and Nonselective Aza-Michael Additions Catalyzed by a Chiral Zirconium Bis-Diketiminate Complex","Organometallics","2013","32","23","6986","","10.1021/om400544z","","","1.54178","CuKα","","0.0847","0.0728","","","0.1882","0.2023","","","","","","1.034","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081796","18.8601","0.0009","14.1435","0.0007","19.3532","0.001","90","","90","","90","","5162.4","0.4","132","2","132","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C54 H82 O4 Si2 -","- C54 H82 O4 Si2 -","- C216 H328 O16 Si8 -","4","1","","Meltzer, Antje; Majumdar, Moumita; White, Andrew J. P.; Huch, Volker; Scheschkewitz, David","Potential Protecting Group Strategy for Disila Analogues of Vinyllithiums: Synthesis and Reactivity of a 2,4,6-Trimethoxyphenyl-Substituted Disilene","Organometallics","2013","32","22","6844","","10.1021/om400545w","","","0.71073","MoKα","","0.0544","0.0439","","","0.1051","0.1114","","","","","","1.031","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081885","28.7237","0.0014","23.8226","0.0011","17.6686","0.0009","90","","90","","90","","12090.1","1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Integration of K102Duo","","","- C70 H92 N P Sn -","- C70 H92 N P Sn -","- C560 H736 N8 P8 Sn8 -","8","2","","Freitag, Sarah; Krebs, Kilian M.; Henning, Jens; Hirdler, Janina; Schubert, Hartmut; Wesemann, Lars","Stannylene-Based Lewis Pairs","Organometallics","2013","32","22","6785","","10.1021/om400736e","","","0.71073","MoKα","","0.0833","0.0504","","","0.1013","0.1158","","","","","","0.988","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4081998","16.793","0.003","16.677","0.003","9.6628","0.0017","90","","90","","90","","2706.1","0.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","(PNP)NiOCHO","","","- C27 H41 N Ni O2 P2 -","- C27 H41 N Ni O2 P2 -","- C108 H164 N4 Ni4 O8 P8 -","4","1","","Yoo, Changho; Kim, Jin; Lee, Yunho","Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κC","Organometallics","2013","32","23","7195","","10.1021/om400881j","","","0.71073","MoKα","","0.1233","0.0505","","","0.0621","0.0788","","","","","","0.715","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082127","14.212","0.004","18.02","0.005","17.412","0.005","90","","90","","90","","4459","2","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C43 H60 Cl F6 N6 O P Ru -","- C43 H60 Cl F6 N6 O P Ru -","- C172 H240 Cl4 F24 N24 O4 P4 Ru4 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.0641","0.0552","","","0.1319","0.1374","","","","","","1.142","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082141","21.0188","0.0005","11.7455","0.0004","22.0402","0.0007","90","","90","","90","","5441.2","0.3","110","0.1","110","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C56.5 H50 B Cl3 F4 O4 P2 Ru -","- C56.5 H50 B Cl3 F4 O4 P2 Ru -","- C226 H200 B4 Cl12 F16 O16 P8 Ru4 -","4","1","","Smith, Elizabeth J.; Johnson, David G.; Thatcher, Robert J.; Whitwood, Adrian C.; Lynam, Jason M.","Mapping the Elimination of Water from Hydroxyvinylidene Complexes of Ruthenium(II): Access to Allenylidene and Vinylvinylidene Complexes in a Stepwise Fashion","Organometallics","2013","32","24","7407","","10.1021/om4009247","","","0.7107","MoKα","","0.0718","0.0647","","","0.1514","0.1559","","","","","","1.147","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082161","21.3142","0.0007","9.5252","0.0002","11.7327","0.0003","90","","90","","90","","2382","0.11","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H22 As F4 I Pt -","- C26 H22 As F4 I Pt -","- C104 H88 As4 F16 I4 Pt4 -","4","1","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.0386","0.0324","","","0.0741","0.0766","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082190","29.173","0.003","14.1126","0.0017","9.4718","0.001","90","","90","","90","","3899.6","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H45 F5 N2 Zn -","- C43 H45 F5 N2 Zn -","- C172 H180 F20 N8 Zn4 -","4","1","","Jochmann, Phillip; Stephan, Douglas W.","Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes","Organometallics","2013","32","24","7503","","10.1021/om401000s","","","0.71073","MoKα","","0.1341","0.0522","","","0.0706","0.0885","","","","","","0.943","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082326","12.2087","0.0004","10.6001","0.0005","12.4866","0.0005","90","","90","","90","","1615.93","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H29 N Zn -","- C16 H29 N Zn -","- C64 H116 N4 Zn4 -","4","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","","0.0479","0.0371","","","0.0836","0.0871","","","","","","1.018","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082361","13.793","0.003","14.151","0.003","13.884","0.003","90","","90","","90","","2709.9","1","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H29 Cl F6 P Rh S2 -","- C24 H29 Cl F6 P Rh S2 -","- C96 H116 Cl4 F24 P4 Rh4 S8 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","(η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation","Organometallics","2014","33","4","983","","10.1021/om401150s","","","0.71073","MoKα","","0.0513","0.0485","","","0.1098","0.1114","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082386","9.3403","0.0019","23.911","0.005","8.7619","0.0018","90","","90","","90","","1956.8","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H24 O4 Si -","- C20 H24 O4 Si -","- C80 H96 O16 Si4 -","4","1","","Fischer, Markus; Burschka, Christian; Tacke, Reinhold","Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis","Organometallics","2014","33","4","1020","","10.1021/om401208y","","","0.71073","MoKα","","0.044","0.0364","","","0.0901","0.095","","","","","","1.049","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082549","13.385","0.002","6.4788","0.0011","11.198","0.002","90","","90","","90","","971.1","0.3","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","sjfbk12","","","- C8 H13 N O2 Si -","- C8 H13 N O2 Si -","- C32 H52 N4 O8 Si4 -","4","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","","0.063","0.0484","","","0.096","0.1019","","","","","","1.084","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082608","10.014","0.0014","12.8973","0.0017","10.9535","0.0015","90","","90","","90","","1414.7","0.3","115","2","115","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H14 F5 N P Rh -","- C13 H14 F5 N P Rh -","- C52 H56 F20 N4 P4 Rh4 -","4","1","","Procacci, Barbara; Blagg, Robin J.; Perutz, Robin N.; Rendón, Nuria; Whitwood, Adrian C.","Photochemical Reactions of Fluorinated Pyridines at Half-Sandwich Rhodium Complexes: Competing Pathways of Reaction.","Organometallics","2014","33","1","45","52","10.1021/om400552r","","","0.71073","MoKα","","0.0323","0.0307","","","0.0753","0.0766","","","","","","1.044","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082631","15.8063","0.0013","8.55","0.0007","15.4134","0.0013","90","","90","","90","","2083","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 O4 Ru2 Si -","- C22 H18 O4 Ru2 Si -","- C88 H72 O16 Ru8 Si4 -","4","1","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.0365","0.0359","","","0.0893","0.09","","","","","","1.092","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082644","29.236","0.002","14.2862","0.0008","12.2213","0.0007","90","","90","","90","","5104.5","0.5","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H47 Cl4 N4 P2 Ru -","- C57 H47 Cl4 N4 P2 Ru -","- C228 H188 Cl16 N16 P8 Ru4 -","4","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Reactions of [RuCl2(PPh3)3] with Nitron and with the “Enders Carbene”: Access to Ruthenium(III) NHC Complexes","Organometallics","2014","33","1","425","","10.1021/om401058e","","","0.71073","MoKα","","0.0984","0.056","","","0.1165","0.1342","","","","","","0.895","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082646","28.594","0.002","15.4001","0.001","12.3532","0.0007","90","","90","","90","","5439.7","0.6","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H44 Cl2 N3 P2 Ru -","- C56 H44 Cl2 N3 P2 Ru -","- C224 H176 Cl8 N12 P8 Ru4 -","4","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Reactions of [RuCl2(PPh3)3] with Nitron and with the “Enders Carbene”: Access to Ruthenium(III) NHC Complexes","Organometallics","2014","33","1","425","","10.1021/om401058e","","","0.71073","MoKα","","0.1244","0.0656","","","0.1333","0.1506","","","","","","0.786","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082697","48.907","0.004","18.9148","0.0017","8.3417","0.0008","90","","90","","90","","7716.6","1.2","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H46 B N O Os P2 S -","- C19 H46 B N O Os P2 S -","- C228 H552 B12 N12 O12 Os12 P24 S12 -","12","3","","Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique","Osmium-Promoted Dehydrogenation of Amine‒Boranes and B‒H Bond Activation of the Resulting Amino‒Boranes","Organometallics","2014","33","5","1104","","10.1021/om500027p","","","0.71073","MoKα","","0.0561","0.0453","","","0.083","0.0864","","","","","","1.061","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082798","37.404","0.003","17.1777","0.0013","9.5402","0.0007","90","","90","","90","","6129.7","0.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H44 Co F6 P Sn2 -","- C26 H44 Co F6 P Sn2 -","- C208 H352 Co8 F48 P8 Sn16 -","8","2","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kramer, Thomas; Krummenacher, Ivo; Mager, Julian","Tin-Bridgedansa-Metallocenes of the Late Transition Metals Cobalt and Nickel: Preparation, Molecular and Electronic Structures, and Redox Chemistry","Organometallics","2014","33","7","1659","","10.1021/om401212n","","","0.71073","MoKα","","0.0387","0.0318","","","0.053","0.0551","","","","","","1.028","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4083002","19.5273","0.0017","14.7874","0.0013","20.4755","0.0018","90","","90","","90","","5912.5","0.9","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69.5 H57 Cl N2 Se -","- C69.5 H57 Cl0.9999 N2 Se -","- C278 H228 Cl3.9996 N8 Se4 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.077","","","","0.2364","","","","","","0.996","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083003","19.5267","0.0011","14.8249","0.0009","20.1659","0.0011","90","","90","","90","","5837.7","0.6","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C70.5 H59 N2 O2.5 Se -","- C70.5 H59 N2 O2.5 Se -","- C282 H236 N8 O10 Se4 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0452","","","","0.1368","","","","","","0.838","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083065","15.78","0.003","10.497","0.002","23.974","0.005","90","","90","","90","","3971.1","1.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe N O -","- C26 H21 Fe N O -","- C208 H168 Fe8 N8 O8 -","8","2","","Xie, Wucheng; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Palladium-Catalyzed Direct Dehydrogenative Annulation of Ferrocenecarboxamides with Alkynes in Air","Organometallics","2014","33","9","2138","","10.1021/om5002606","","","0.71073","MoKα","","0.0879","0.0669","","","0.1494","0.1615","","","","","","1.078","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083137","10.033","0.002","16.454","0.003","9.866","0.002","90","","90","","90","","1628.7","0.6","20","2","20","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H27 Al Li N -","- C12 H27 Al Li N -","- C48 H108 Al4 Li4 N4 -","4","1","","Cole, Jacqueline M.; Waddell, Paul G.; Wheatley, Andrew E. H.; McIntyre, Garry J.; Peel, Andrew J.; Tate, Christopher W.; Linton, David J.","Neutron Diffraction Characterization of C‒H···Li Interactions in a Lithium Aluminate Polymer","Organometallics","2014","33","15","3919","","10.1021/om500271p","","","1.3213","neutrons","","0.0735","0.0527","","","0.0551","0.0561","","","","","","2.944","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083138","10.033","0.002","16.454","0.003","9.866","0.002","90","","90","","90","","1628.7","0.6","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H27 Al Li N -","- C12 H27 Al Li N -","- C48 H108 Al4 Li4 N4 -","4","1","","Cole, Jacqueline M.; Waddell, Paul G.; Wheatley, Andrew E. H.; McIntyre, Garry J.; Peel, Andrew J.; Tate, Christopher W.; Linton, David J.","Neutron Diffraction Characterization of C‒H···Li Interactions in a Lithium Aluminate Polymer","Organometallics","2014","33","15","3919","","10.1021/om500271p","","","0.71073","MoKα","","0.0908","0.0469","","","0.0954","0.1092","","","","","","1.025","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083299","24.319","0.004","7.3753","0.0011","11.9356","0.0018","90","","90","","90","","2140.8","0.6","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H20 B10 Co0 Fe O S2 -","- C15 H20 B10 Fe O S2 -","- C60 H80 B40 Fe4 O4 S8 -","4","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","","0.0486","0.039","","","0.0803","0.0835","","","","","","0.912","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083670","20.0078","0.0006","14.6737","0.0004","15.2414","0.0005","90","","90","","90","","4474.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H54 Ge P2 Pt -","- C54 H54 Ge P2 Pt -","- C216 H216 Ge4 P8 Pt4 -","4","1","","White, Colin P.; Braddock-Wilking, Janet; Corey, Joyce Y.; Xu, Huan; Redekop, Evgeniy; Sedinkin, Sergey; Rath, Nigam P.","Activation of Group 14 El−H Bonds at Platinum(0)","Organometallics","2007","26","8","1996","","10.1021/om061180+","","","0.71073","MoKα","","0.0591","0.0348","","","0.0533","0.0603","","","","","","0.941","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083877","19.4544","0.0007","11.2899","0.0004","12.8164","0.0004","90","","90","","90","","2814.97","0.17","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H49 Si Ti -","- C29 H49 Si Ti -","- C116 H196 Si4 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0467","0.0369","","","0.0907","0.0963","","","","","","1.028","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083886","19.4417","0.0013","15.071","0.001","20.1218","0.0015","90","","90","","90","","5895.8","0.7","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C70 H58 Au Cl3 N2 O2 Se -","- C70 H58 Au Cl3 N2 O2 Se -","- C280 H232 Au4 Cl12 N8 O8 Se4 -","4","1","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0216","","","","0.0577","","","","","","1.003","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4084019","38.203","0.006","11.441","0.002","11.4284","0.0016","90","","90","","90","","4995.1","1.4","103","2","103","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H5 Cl2 O11 Os3 Sb -","- C17 H5 Cl2 O11 Os3 Sb -","- C136 H40 Cl16 O88 Os24 Sb8 -","8","2","","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","","0.0361","0.0306","","","0.0711","0.0896","","","","","","1.124","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084043","13.7295","0.0001","9.1306","0.0002","9.3149","0.0001","90","","90","","90","","1167.7","0.03","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H11 Cr O2 P S -","- C9 H11 Cr O2 P S -","- C36 H44 Cr4 O8 P4 S4 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel","An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands","Organometallics","2002","21","24","5287","","10.1021/om0203680","","","0.71073","MoKα","","0.0296","0.024","","","0.0553","0.0572","","","","","","0.996","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084151","15.6044","0.0008","17.9399","0.0008","12.2494","0.0006","90","","90","","90","","3429.1","0.3","153","","153","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H39 Cl F6 Ir P3 Pd S2 -","- C29 H39 Cl F6 Ir P3 Pd S2 -","- C116 H156 Cl4 F24 Ir4 P12 Pd4 S8 -","4","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","","","0.0283","","","","0.0606","","","","","","0.902","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084152","15.6756","0.001","17.9295","0.001","12.2503","0.0008","90","","90","","90","","3443","0.4","153","","153","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H39 Cl F6 Ir P3 Pt S2 -","- C29 H39 Cl F6 Ir P3 Pt S2 -","- C116 H156 Cl4 F24 Ir4 P12 Pt4 S8 -","4","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","","","0.0659","","","","0.1735","","","","","","1.053","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084174","18.116","0.0016","7.449","0.0006","13.0298","0.0012","90","","90","","90","","1758.3","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H21 B Co Mn O3 -","- C18 H21 B Co Mn O3 -","- C72 H84 B4 Co4 Mn4 O12 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Kramer, Thomas; Siedler, Eva","A Simple Decarbonylative Route to Heterodinuclear Alkylborylene Complexes","Organometallics","2014","33","14","3877","","10.1021/om500596x","","","0.71073","MoKα","","0.0603","0.0463","","","0.1111","0.1245","","","","","","1.043","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084273","11.0556","0.0001","17.8662","0.0004","14.0256","0.0002","90","","90","","90","","2770.36","0.08","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H33 Al N2 -","- C33 H33 Al N2 -","- C132 H132 Al4 N8 -","4","1","","Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.","Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand","Organometallics","2014","33","17","4503","","10.1021/om500730g","","","1.54178","CuKα","","0.0285","0.028","","","0.0723","0.0732","","","","","","1.093","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084343","19.7435","0.0005","13.1941","0.0003","9.6988","0.0003","90","","90","","90","","2526.52","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H31 N2 O2 P -","- C29 H31 N2 O2 P -","- C116 H124 N8 O8 P4 -","4","1","","Noël-Duchesneau, Ludovik; Lugan, Noël; Lavigne, Guy; Labande, Agnès; César, Vincent","Tailoring Buchwald-Type Phosphines with Pyrimidinium Betaines as Versatile Aryl Group Surrogates","Organometallics","2014","33","19","5085","","10.1021/om5007819","","","0.71073","MoKα","","0.026","0.0253","","","0.068","0.0688","","","","","","1.008","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084385","17.391","0.002","18.729","0.002","8.6911","0.0011","90","","90","","90","","2830.8","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H39 N2 O P W -","- C30 H39 N2 O P W -","- C120 H156 N8 O4 P4 W4 -","4","1","","Townsend, Erik M.; Hyvl, Jakub; Forrest, William P.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain Sterically Demanding Arenethiolate Ligands.","Organometallics","2014","33","19","5334","5341","10.1021/om500655n","","","0.71073","MoKα","","0.0294","0.0256","","","0.0601","0.0618","","","","","","1.035","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084387","19.4141","0.0005","9.0119","0.0002","17.7074","0.0004","90","","90","","90","","3098.05","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H52 Fe P2 Pd -","- C30 H52 Fe P2 Pd -","- C120 H208 Fe4 P8 Pd4 -","4","1","","Russell, Andrew D.; Whittell, George R.; Haddow, Mairi F.; Manners, Ian","Facile Formation of FePd Nanoparticles from Single-Source [1]Ferrocenophane Precursors","Organometallics","2014","33","19","5349","","10.1021/om500673r","","","0.71073","MoKα","","0.0715","0.0469","","","0.08","0.0881","","","","","","1.012","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084415","18.8571","0.0012","8.2491","0.0005","17.0267","0.001","90","","90","","90","","2648.6","0.3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H26 B F4 N3 O3 -","- C29 H26 B F4 N3 O3 -","- C116 H104 B4 F16 N12 O12 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0783","0.0635","","","0.1557","0.1655","","","","","","1.037","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084465","20.353","0.004","10.3936","0.0019","18.749","0.003","90","","90","","90","","3966.2","1.2","100","0.5","100","0.5","","","","","","","","4","P n a 21","P 2c -2n","33","hannr01","","","- C27 H63 Sc Si6 -","- C27 H63 Sc Si6 -","- C108 H252 Sc4 Si24 -","4","1","","Rightmire, Nicholas R.; Hanusa, Timothy P.; Rheingold, Arnold L.","Mechanochemical Synthesis of [1,3-(SiMe3)2C3H3]3(Al,Sc), a Base-Free Tris(allyl)aluminum Complex and Its Scandium Analogue","Organometallics","2014","33","21","5952","","10.1021/om5009204","","","0.71073","MoKα","","0.2251","0.1306","","","0.3318","0.4041","","","","","","1.189","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084700","17.768","0.0005","9.8038","0.0004","33.2663","0.0011","90","","90","","90","","5794.8","0.3","296","2","296","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","Na[PtMe2(dmso)(NHC)].8H2O","","","- C13 H26 N2 Na2 O11 Pt S3 -","- C13 H26 N2 Na2 O11 Pt S3 -","- C104 H208 N16 Na16 O88 Pt8 S24 -","8","2","","Baquero, Edwin A.; Flores, Juan C.; Perles, Josefina; Gómez-Sal, Pilar; de Jesús, Ernesto","Water-Soluble Mono- and Dimethyl N-Heterocyclic Carbene Platinum(II) Complexes: Synthesis and Reactivity","Organometallics","2014","33","19","5470","","10.1021/om500753v","","","0.71073","","","0.0822","0.0581","","","0.166","0.2036","","","","","","1.096","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084775","20.8783","0.0009","11.9099","0.0005","11.3431","0.0005","90","","90","","90","","2820.6","0.2","250","","250","","","","","","","","Synthesized by the authors. See text","5","P n a 21","P 2c -2n","33","","","","- C27 H42 Ni O3 P2 -","- C27 H42 Ni O3 P2 -","- C108 H168 Ni4 O12 P8 -","4","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","","0.0734","0.0732","","","0.192","0.1924","","","","","","1.065","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084814","17.2815","0.0008","9.8343","0.0004","18.6058","0.0008","90","","90","","90","","3162.1","0.2","103","2","103","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H56 Al Li N2 Si4 -","- C24 H56 Al Li N2 Si4 -","- C96 H224 Al4 Li4 N8 Si16 -","4","1","","Agou, Tomohiro; Wasano, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro","Syntheses and Structures of Stable 1-Aminoalumole Derivatives","Organometallics","2014","33","23","6963","","10.1021/om501055f","","","0.71075","MoKα","","0.0282","0.0273","","","0.0671","0.0679","","","","","","1.09","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084846","18.885","0.003","13.024","0.002","10.5229","0.0019","90","","90","","90","","2588.2","0.7","100","","100","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C19 H34 Br Cl2 D2 Fe N3 O P2 -","- C19 H34 Br Cl2 D2 Fe N3 O P2 -","- C76 H136 Br4 Cl8 D8 Fe4 N12 O4 P8 -","4","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","","0.0298","0.0264","","","0.0323","0.0326","","","","1.82","1.82","1.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084920","22.063","0.004","13.469","0.003","20.265","0.004","90","","90","","90","","6022","2","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C41 H63 Au B F15 Ge N P Si8 -","- C41 H63 Au B F15 Ge N P Si8 -","- C164 H252 Au4 B4 F60 Ge4 N4 P4 Si32 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0253","0.0233","","","0.0511","0.0517","","","","","","0.922","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084921","22.115","0.005","13.491","0.003","20.317","0.004","90","","90","","90","","6062","2","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C41 H63 Au B F15 Ge3 N P Si6 -","- C41 H63 Au B F15 Ge3 N P Si6 -","- C164 H252 Au4 B4 F60 Ge12 N4 P4 Si24 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0389","0.0352","","","0.0719","0.073","","","","","","0.989","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084924","22.059","0.004","13.517","0.003","19.985","0.004","90","","90","","90","","5959","2","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C41 H63 B Cu F15 Ge N P Si8 -","- C41 H63 B Cu F15 Ge N P Si8 -","- C164 H252 B4 Cu4 F60 Ge4 N4 P4 Si32 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0308","0.0283","","","0.0599","0.0606","","","","","","0.974","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084927","22.136","0.005","10.892","0.003","9.937","0.002","90","","90","","90","","2395.9","1","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","jonag32","Pt(dtbpe)(MeCCMe)","","- C22 H46 P2 Pt -","- C22 H46 P2 Pt -","- C88 H184 P8 Pt4 -","4","1","","Gunay, Ahmet; Brennessel, William W.; Jones, William D.","Investigation of C‒C Bond Activation of sp‒sp2C‒C Bonds of Acetylene Derivatives via Photolysis of Pt Complexes","Organometallics","2015","34","11","2233","","10.1021/om500999u","","","0.71073","MoKα","","0.1278","0.0678","","","0.1199","0.1374","","","","","","1.041","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4085058","29.5486","0.0014","11.1884","0.0005","12.1294","0.0006","90","","90","","90","","4010","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H70 B4 O Zr3 -","- C34 H70 B4 O Zr3 -","- C136 H280 B16 O4 Zr12 -","4","1","","Liu, Fu-Chen; Chen, Heng-Guang; Lee, Gene-Hsiang","Trinuclear Zirconium Polyhydride ({Cp*Zr(BH3CH3)}(μ-H)2{Cp*Zr(BH3CH3)}(μ-H){Cp*Zr(BH3CH3)})(μ-κ2C,H:κ1C:κ2C,H-CHBH3) and Its Derivatives: Compounds Containing a Pentacoordinated Carbon Atom","Organometallics","2015","34","1","42","","10.1021/om500773e","","","0.71073","MoKα","","0.0885","0.0672","","","0.1001","0.1075","","","","","","1.093","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085093","28.129","0.004","15.31","0.002","8.1513","0.001","90","","90","","90","","3510.4","0.8","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35.5 H23 Cl F8 N3 P Pt -","- C35.5 H23 Cl F8 N3 P Pt -","- C142 H92 Cl4 F32 N12 P4 Pt4 -","4","1","","O’Brien, Cameron; Wong, Michael Yin; Cordes, David B.; Slawin, Alexandra M. Z.; Zysman-Colman, Eli","Cationic Platinum(II) Complexes Bearing Aryl-BIAN Ligands: Synthesis and Structural and Optoelectronic Characterization","Organometallics","2015","34","1","13","","10.1021/om5006512","","","0.71075","MoKα","","","0.0663","","","","0.1868","","","","","","1.01","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085126","17.9672","0.0009","15.9083","0.0008","11.6754","0.0006","90","","90","","90","","3337.2","0.3","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H34 Fe4 Ir N O12 -","- C28 H34 Fe4 Ir N O12 -","- C112 H136 Fe16 Ir4 N4 O48 -","4","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","","0.043","0.0291","","","0.0491","0.0539","","","","","","1.031","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085134","14.096","0.0011","8.0824","0.0007","21.8364","0.0018","90","","90","","90","","2487.8","0.4","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H16 Au F6 N3 O4 S2 -","- C21 H16 Au F6 N3 O4 S2 -","- C84 H64 Au4 F24 N12 O16 S8 -","4","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0236","0.0218","","","0.0475","0.0477","","","","","","0.907","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085218","31.586","0.013","9.821","0.004","8.973","0.004","90","","90","","90","","2783","2","100","2","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H31 I Ir N5 -","- C30 H31 I Ir N5 -","- C120 H124 I4 Ir4 N20 -","4","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","0.71073","MoKα","","0.0419","0.0376","","","0.0799","0.0855","","","","","","1.18","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085719","18.4969","0.001","7.9228","0.0006","30.917","0.003","90","","90","","90","","4530.8","0.6","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H35 I N P Pd -","- C20 H35 I N P Pd -","- C160 H280 I8 N8 P8 Pd8 -","8","2","","Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F.","Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles","Organometallics","2015","34","9","1627","","10.1021/om501231k","","","0.71073","MoKα","","0.072","0.0579","","","0.1349","0.1463","","","","","","1.16","","","","has coordinates","140252","2020-10-21","18:00:00",""
"4085791","23.181","0.0009","22.51","0.0008","25.2361","0.001","90","","90","","90","","13168.3","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","(PNP-tBu)ScNHAr(DMAP)2","","","- C55 H77 N6 P2 Sc -","- C55 H77 N6 P2 Sc -","- C440 H616 N48 P16 Sc8 -","8","2","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0991","0.076","","","0.1899","0.2067","","","","","","1.033","","","","has coordinates","170109","2020-10-21","18:00:00",""
"4085803","19.511","0.004","15.966","0.003","17.786","0.004","90","","90","","90","","5541","2","100","","100.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H61 B O2 P2 Pd -","- C70 H61 B O2 P2 Pd -","- C280 H244 B4 O8 P8 Pd4 -","4","1","","Schindler, Tobias; Lux, Marcel; Peters, Marius; Scharf, Lennart T.; Osseili, Hassan; Maron, Laurent; Tauchert, Michael E.","Synthesis and Reactivity of Palladium Complexes Featuring a Diphosphinoborane Ligand","Organometallics","2015","34","10","1978","","10.1021/acs.organomet.5b00217","","","0.71073","MoKα","","0.0654","0.0449","","","0.1166","0.1391","","","","","","0.855","","","","has coordinates","140183","2020-10-21","18:00:00",""
"4085891","27.803","0.004","12.3863","0.0019","8.4728","0.0014","90","","90","","90","","2917.8","0.8","185","2","185","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H36 Cl Cr N3 O -","- C32 H36 Cl Cr N3 O -","- C128 H144 Cl4 Cr4 N12 O4 -","4","1","","Hao, Zhiqiang; Xu, Bin; Gao, Wei; Han, Yuxi; Zeng, Guang; Zhang, Jingshun; Li, Guanghua; Mu, Ying","Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand: Synthesis, Characterization, and Catalysis in Ethylene Polymerization","Organometallics","2015","34","12","2783","","10.1021/acs.organomet.5b00247","","","0.71073","MoKα","","0.1035","0.0644","","","0.0987","0.1127","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085927","25.542","0.004","8.9605","0.0014","9.0105","0.0013","90","","90","","90","","2062.2","0.5","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H31 Fe N -","- C27 H31 Fe N -","- C108 H124 Fe4 N4 -","4","1","","Sunada, Yusuke; Noda, Daisuke; Soejima, Hiroe; Tsutsumi, Hironori; Nagashima, Hideo","Combinatorial Approach to the Catalytic Hydrosilylation of Styrene Derivatives: Catalyst Systems Composed of Organoiron(0) or (II) Precursors and Isocyanides","Organometallics","2015","34","12","2896","","10.1021/acs.organomet.5b00201","","","0.71075","MoKα","","","0.0693","","","","0.1528","","","","","","1.103","","","","has coordinates","140195","2020-10-21","18:00:00",""
"4085936","19.785","0.005","11.325","0.003","12.641","0.003","90","","90","","90","","2832.4","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H39 Ag F2 N2 -","- C28 H39 Ag F2 N2 -","- C112 H156 Ag4 F8 N8 -","4","1","","Gu, Yang; Chang, Dalu; Leng, Xuebing; Gu, Yucheng; Shen, Qilong","Well-Defined, Shelf-Stable (NHC)Ag(CF2H) Complexes for Difluoromethylation","Organometallics","2015","34","12","3065","","10.1021/acs.organomet.5b00350","","","0.71073","MoKα","","0.0491","0.0369","","","0.0868","0.0924","","","","","","1.032","","","","has coordinates,has disorder","140199","2020-10-21","18:00:00",""
"4085937","19.692","0.01","11.277","0.006","12.611","0.007","90","","90","","90","","2800","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H37 Ag F2 N2 -","- C28 H37 Ag F2 N2 -","- C112 H148 Ag4 F8 N8 -","4","1","","Gu, Yang; Chang, Dalu; Leng, Xuebing; Gu, Yucheng; Shen, Qilong","Well-Defined, Shelf-Stable (NHC)Ag(CF2H) Complexes for Difluoromethylation","Organometallics","2015","34","12","3065","","10.1021/acs.organomet.5b00350","","","0.71073","MoKα","","0.0684","0.0385","","","0.0798","0.0919","","","","","","0.959","","","","has coordinates,has disorder","140199","2020-10-21","18:00:00",""
"4085971","16.9258","0.0014","14.2819","0.0012","8.2379","0.0007","90","","90","","90","","1991.4","0.3","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 B Co F4 O -","- C19 H28 B Co F4 O -","- C76 H112 B4 Co4 F16 O4 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.0489","0.0363","","","0.0888","0.0953","","","","","","1.051","","","","has coordinates,has disorder","154724","2020-10-21","18:00:00",""
"4086048","32.485","0.0005","14.6044","0.0002","13.3357","0.0002","90","","90","","90","","6326.78","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H76 Cl N P3 Rh -","- C76 H76 Cl N P3 Rh -","- C304 H304 Cl4 N4 P12 Rh4 -","4","1","","Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars","Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction","Organometallics","2015","34","14","3629","","10.1021/acs.organomet.5b00437","","","0.71073","MoKα","","0.0509","0.0361","","","0.0689","0.0721","","","","","","0.945","","","","has coordinates,has disorder","152902","2020-10-21","18:00:00",""
"4086094","14.0222","0.0009","8.879","0.0007","13.7537","0.001","90","","90","","90","","1712.4","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H19 Mo N O2 S -","- C17 H19 Mo N O2 S -","- C68 H76 Mo4 N4 O8 S4 -","4","1","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines","Organometallics","2015","34","15","3699","","10.1021/acs.organomet.5b00335","","","0.71067","MoKα","","0.0703","0.065","","","0.1599","0.1632","","","","","","1.14","","","","has coordinates","154734","2020-10-21","18:00:00",""
"4086137","30.989","0.002","12.597","0.01","11.852","0.009","90","","90","","90","","4627","5","120","2","120","2","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C38 H56 B Cl5 F4 N4 P2 Pd2 -","- C38 H56 B Cl5 F4 N4 P2 Pd2 -","- C152 H224 B4 Cl20 F16 N16 P8 Pd8 -","4","1","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","x-ray","0.71069","MoKα","","0.1417","0.0703","","","0.1102","0.1441","","","","","","1.03","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086216","11.371","","16.55","","14.14","","90","","90","","90","","2661.01","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Os6 (C O)17 S","","- C17 O17 Os6 S -","- C17 O17 Os6 S -","- C68 O68 Os24 S4 -","4","1","","Adams, R.D.; Horvath, I.T.; Mathur, P.","Cluster Synthesis. 5. Synthesis and Crystal and Molecular Structures of Os6 (C O)19 (mue3-S) and Os6 (C O)17 (mue4-S)","Organometallics","1984","3","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086231","24.026","0.003","8.9614","0.001","15.8076","0.0018","90","","90","","90","","3403.5","0.7","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H40 B3 La N2 -","- C38 H40 B3 La N2 -","- C152 H160 B12 La4 N8 -","4","1","","Wang, Chunhong; Leng, Xuebing; Chen, Yaofeng","Tris(boratabenzene) Lanthanum Complexes: Synthesis, Structure, and Reactivity","Organometallics","2015","34","13","3216","","10.1021/acs.organomet.5b00262","","","0.71073","MoKα","","0.0612","0.0422","","","0.0764","0.0804","","","","","","1.105","","","","has coordinates","154500","2020-10-21","18:00:00",""
"4086316","19.119","","7.724","","16.417","","90","","90","","90","","2424.38","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Os5 (C O)15 S","","- C15 O15 Os5 S -","- C15 O15 Os5 S -","- C60 O60 Os20 S4 -","4","1","","Adams, R.D.; Segmueller, B.E.; Horvath, I.T.; Yang, L.-W.","... Thermolysis of H Os3 (C O)10 (mue-S C6 H5) under C O pressure. The synthesis and crystal and molecular structures of Os4 (C O)13 (mue3-S) and Os5 (C O)15 (mue4-S)","Organometallics","1983","2","","1301","1308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086387","21.5189","0.0003","14.2214","0.0002","9.8028","0.0002","90","","90","","90","","2999.94","0.09","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H38 N4 O2 Zn2 -","- C29 H38 N4 O2 Zn2 -","- C116 H152 N16 O8 Zn8 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M.","Copolymerization of Cyclic Esters Controlled by Chiral NNO-Scorpionate Zinc Initiators","Organometallics","2016","35","2","189","","10.1021/acs.organomet.5b00919","","","0.71073","MoKα","","0.0656","0.0387","","","0.0773","0.0872","","","","","","0.959","","","","has coordinates","175810","2020-10-21","18:00:00",""
"4086546","10.9327","0.0004","8.1327","0.0002","13.2961","0.0004","90","","90","","90","","1182.19","0.06","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 O3 Re -","- C12 H17 O3 Re -","- C48 H68 O12 Re4 -","4","1","","Raju, Suresh; van Slagmaat, Christian A. M. R.; Li, Jing; Lutz, Martin; Jastrzebski, Johann T. B. H.; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Synthesis of Cyclopentadienyl-Based Trioxo-rhenium Complexes and Their Use as Deoxydehydration Catalysts","Organometallics","2016","35","13","2178","","10.1021/acs.organomet.6b00120","","","0.71073","MoKα","","0.0112","0.0098","","","0.0227","0.023","","","","","","1.065","","","","has coordinates","184940","2020-10-21","18:00:00",""
"4086617","17.7987","0.0017","27.77","0.003","11.7368","0.0011","90","","90","","90","","5801.1","1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H20 F24 Hg6 I P -","- C60 H20 F24 Hg6 I P -","- C240 H80 F96 Hg24 I4 P4 -","4","1","","Tugashov, Kirill I.; Gribanyov, Dmitry A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Minacheva, Marija Kh.; Tikhonova, Irina A.; Shur, Vladimir B.","Coordination Chemistry of Anticrowns. Synthesis and Structures of Double-Decker Sandwich Complexes of the Three-Mercury Anticrown (o-C6F4Hg)3with Halide Anions Containing and Not Containing Coordinated Dibromomethane Molecules","Organometallics","2016","35","13","2197","","10.1021/acs.organomet.6b00231","","","0.71073","MoKα","","0.0638","0.0493","","","0.1053","0.1132","","","","","","1.073","","","","has coordinates","184851","2020-10-21","18:00:00",""
"4086696","22.7104","0.0009","8.0978","0.0003","13.154","0.0005","90","","90","","90","","2419.08","0.16","293.15","","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H35 In N2 O -","- C24 H35 In N2 O -","- C96 H140 In4 N8 O4 -","4","1","","Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł","Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium","Organometallics","2016","35","19","3311","","10.1021/acs.organomet.6b00510","","x-ray","0.71073","MoKα","","0.0481","0.0389","","","0.082","0.0856","","","","","","1.12","","","","has coordinates","187944","2020-10-21","18:00:00",""
"4086727","12.637","0.0005","13.9619","0.0005","9.6818","0.0004","90","","90","","90","","1708.22","0.12","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H28 B F3 N2 -","- C15 H28 B F3 N2 -","- C60 H112 B4 F12 N8 -","4","1","","Huchenski, Blake S. N.; Adams, Matt R.; McDonald, Robert; Ferguson, Michael J.; Speed, Alexander W. H.","Synthesis and Catalytic Reactivity of Bis(amino)cyclopropenylidene Carbene‒Borane Adducts","Organometallics","2016","35","18","3101","","10.1021/acs.organomet.6b00654","","","0.71073","MoKα","","0.0422","0.0355","","","0.0895","0.0938","","","","","","1.057","","","","has coordinates","186945","2020-10-21","18:00:00",""
"4086769","15.318","0.002","10.6428","0.0016","8.5508","0.0013","90","","90","","90","","1394","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H16 Co N5 O2 -","- C11 H16 Co N5 O2 -","- C44 H64 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.029","0.0234","","","0.0562","0.0586","","","","","","1.035","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086902","23.05","0.0014","16.8166","0.0011","13.8919","0.0009","90","","90","","90","","5384.8","0.6","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C59 H90 Be N4 -","- C59 H90 Be N4 -","- C236 H360 Be4 N16 -","4","1","","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","","0.0932","0.0598","","","0.1426","0.1634","","","","","","1.019","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4087058","14.4195","0.0003","14.5992","0.0003","15.1828","0.0003","90","","90","","90","","3196.18","0.11","120","2","120","2","","","","","","","","9","P n a 21","P 2c -2n","33","","Chloro (((N-methyl)phenylimidoyl)diphenylphosphanyl)(pentamethyl- cyclopentadienyl) Rhodium(III) trifluoromethylsulfonate","","- C31 H33 Cl F3 N O3 P Rh S -","- C31 H33 Cl F3 N O3 P Rh S -","- C124 H132 Cl4 F12 N4 O12 P4 Rh4 S4 -","4","1","","Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop","Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.","Organometallics","2017","36","5","1079","1090","10.1021/acs.organomet.7b00057","","","0.71073","MoKα","","0.039","0.036","","","0.0939","0.0966","","","","","","1.029","","","","has coordinates,has disorder","194866","2020-10-21","18:00:00",""
"4087230","18.3509","0.0019","10.8406","0.0011","16.2855","0.0016","90","","90","","90","","3239.8","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H45 Ir N O2 P -","- C37 H45 Ir N O2 P -","- C148 H180 Ir4 N4 O8 P4 -","4","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.0238","0.0197","","","0.0435","0.0446","","","","","","1.013","","","","has coordinates","195521","2020-10-21","18:00:00",""
"4087292","15.5419","0.0012","12.8656","0.0011","20.1928","0.0016","90","","90","","90","","4037.7","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H44 F3 Ir O3 P2 S -","- C47 H44 F3 Ir O3 P2 S -","- C188 H176 F12 Ir4 O12 P8 S4 -","4","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Perfluoroalkylation of Coordinated Ethene in Rh(I) and Ir(I) Complexes. Catalytic Addition of Iodoperfluoroalkanes to Ethene","Organometallics","2017","36","7","1245","","10.1021/acs.organomet.6b00929","","","0.71073","MoKα","","0.0236","0.0218","","","0.0482","0.0488","","","","","","1.004","","","","has coordinates","196046","2020-10-21","18:00:00",""
"4087299","23.868","0.002","8.7008","0.0007","10.7163","0.0009","90","","90","","90","","2225.5","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H36 F2 Ni P2 -","- C19 H36 F2 Ni P2 -","- C76 H144 F8 Ni4 P8 -","4","1","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","x-ray","0.71073","MoKα","","0.0511","0.0345","","","0.073","0.0788","","","","","","1.027","","","","has coordinates","196047","2020-10-21","18:00:00",""
"4087303","23.5565","0.0013","8.7672","0.0004","10.6965","0.0006","90","","90","","90","","2209.1","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H35 F3 Ni P2 -","- C19 H35 F3 Ni P2 -","- C76 H140 F12 Ni4 P8 -","4","1","","Baird, Drake A.; Jamal, S.; Johnson, Samuel A.","Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3","Organometallics","2017","36","7","1436","","10.1021/acs.organomet.7b00165","","x-ray","0.71073","MoKα","","0.0487","0.0335","","","0.0599","0.0642","","","","","","1.032","","","","has coordinates,has disorder","196047","2020-10-21","18:00:00",""
"4087317","9.689","0.002","27.36","0.007","10.182","0.003","90","","90","","90","","2699.2","1.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H39 Cr F6 N3 P2 -","- C20 H39 Cr F6 N3 P2 -","- C80 H156 Cr4 F24 N12 P8 -","4","1","","Aldrich, Kelly E.; Billow, Brennan S.; Holmes, Daniel; Bemowski, Ross D.; Odom, Aaron L.","Weakly Coordinating yet Ion Paired: Anion Effects on an Internal Rearrangement","Organometallics","2017","36","7","1227","","10.1021/acs.organomet.6b00839","","","0.71073","MoKα","","0.073","0.0476","","","0.1061","0.121","","","","","","1.02","","","","has coordinates","196052","2020-10-21","18:00:00",""
"4087346","9.5439","0.0004","9.6719","0.0003","15.4504","0.0006","90","","90","","90","","1426.19","0.09","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","BrDFP","","","- C14 H7 Br2 O3 P -","- C14 H7 Br2 O3 P -","- C56 H28 Br8 O12 P4 -","4","1","","Cao, Hongda; Brettell-Adams, Ian A.; Qu, Fengrui; Rupar, Paul A.","Bridged Difurans: Stabilizing Furan with p-Block Elements","Organometallics","2017","36","14","2565","","10.1021/acs.organomet.7b00135","","","0.71073","MoKα","","0.0336","0.0244","","","0.0498","0.0521","","","","","","1.019","","","","has coordinates","201701","2020-10-21","18:00:00",""
"4087408","22.7302","0.0012","7.994","0.002","13.738","0.004","90","","90","","90","","2496.3","1","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H41 Cl Co N2 P2 -","- C22 H41 Cl Co N2 P2 -","- C88 H164 Cl4 Co4 N8 P8 -","4","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl","Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.","Organometallics","2015","34","7","1364","1372","10.1021/acs.organomet.5b00075","","x-ray","0.71073","MoKα","","0.0616","0.0359","","","0.0349","0.0373","","","","1.4","1.4","1.28","","","","has coordinates","236785","2020-10-21","18:00:00",""
"4087410","22.7682","0.0005","8.0685","0.0008","13.9631","0.0015","90","","90","","90","","2565.1","0.4","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H45 B Co N2 P2 -","- C22 H45 B Co N2 P2 -","- C88 H180 B4 Co4 N8 P8 -","4","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl","Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.","Organometallics","2015","34","7","1364","1372","10.1021/acs.organomet.5b00075","","x-ray","0.71073","MoKα","","0.0438","0.0342","","","0.0425","0.0443","","","","1.24","1.24","1.19","","","","has coordinates","236785","2020-10-21","18:00:00",""
"4087515","20.505","0.0008","8.8115","0.0003","13.7368","0.0005","90","","90","","90","","2481.96","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H24 Au O2 P S -","- C28 H24 Au O2 P S -","- C112 H96 Au4 O8 P4 S4 -","4","1","","Zalesskiy, Sergey S.; Khrustalev, Victor N.; Kostukovich, Alexandr Yu.; Ananikov, Valentine P.","Carboxylic Group-Assisted Proton Transfer in Gold-Mediated Thiolation of Alkynes","Organometallics","2015","34","21","5214","","10.1021/acs.organomet.5b00210","","","0.71073","MoKα","","0.034","0.0233","","","0.0458","0.0487","","","","","","0.912","","","","has coordinates","236830","2020-10-21","18:00:00",""
"4087521","9.532","0.0003","36.1812","0.0011","9.6015","0.0004","90","","90","","90","","3311.4","0.2","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H34 F4 Ni P2 -","- C40 H34 F4 Ni P2 -","- C160 H136 F16 Ni4 P8 -","4","1","","Ohashi, Masato; Kawashima, Takuya; Taniguchi, Tomoaki; Kikushima, Kotaro; Ogoshi, Sensuke","2,2,3,3-Tetrafluoronickelacyclopentanes Generated via the Oxidative Cyclization of Tetrafluoroethylene and Simple Alkenes: A Key Intermediate in Nickel-Catalyzed C‒C Bond-Forming Reactions","Organometallics","2015","34","9","1604","","10.1021/acs.organomet.5b00218","","","0.71075","MoKα","","0.0309","0.0263","","","0.0597","0.0619","","","","","","1.027","","","","has coordinates","236836","2020-10-21","18:00:00",""
"4087625","19.813","0.003","9.9286","0.0017","31.283","0.005","90","","90","","90","","6153.8","1.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H46 O2 P2 Ru -","- C31 H46 O2 P2 Ru -","- C248 H368 O16 P16 Ru8 -","8","2","","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","","0.1007","0.0595","","","0.1384","0.1602","","","","","","1.026","","","","has coordinates","236886","2020-10-21","18:00:00",""
"4087642","22.236","0.004","10.616","0.0019","18.322","0.003","90","","90","","90","","4325","1.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H70 N2 O Th -","- C46 H70 N2 O Th -","- C184 H280 N8 O4 Th4 -","4","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.0435","0.0325","","","0.0712","0.0756","","","","","","1.041","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087699","17.232","0.003","11.631","0.002","16.135","0.003","90","","90","","90","","3233.9","1","110.15","","110.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H46 F6 O4 P2 Pd Si -","- C24 H46 F6 O4 P2 Pd Si -","- C96 H184 F24 O16 P8 Pd4 Si4 -","4","1","","Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.","Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.","Organometallics","2015","34","17","4281","","10.1021/acs.organomet.5b00517","","","0.71073","MoKα","","0.0324","0.0313","","","0.0791","0.081","","","","","","1.082","","","","has coordinates","236927","2020-10-21","18:00:00",""
"4087736","14.6663","0.0004","11.2056","0.0003","18.1049","0.0007","90","","90","","90","","2975.44","0.16","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H34 Cl2 O4 Ru2 -","- C32 H34 Cl2 O4 Ru2 -","- C128 H136 Cl8 O16 Ru8 -","4","1","","Garci, Amine; Mbakidi, Jean-Pierre; Chaleix, Vincent; Sol, Vincent; Orhan, Ersin; Therrien, Bruno","Tunable Arene Ruthenium Metallaprisms to Transport, Shield, and Release Porphin in Cancer Cells","Organometallics","2015","34","16","4138","","10.1021/acs.organomet.5b00555","","","0.71073","MoKα","","0.0323","0.0271","","","0.0619","0.0632","","","","","","0.969","","","","has coordinates","236961","2020-10-21","18:00:00",""
"4087839","18.3442","0.0002","11.5732","0.0001","15.1368","0.0002","90","","90","","90","","3213.56","0.06","150","","150","","","","","","","","Research School of Chemistry","5","P n a 21","P 2c -2n","33","","","","- C34 H51 F2 N Si -","- C34 H51 F2 N Si -","- C136 H204 F8 N4 Si4 -","4","1","","Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao","Synthesis of a Stable Methylidyne Complex","Organometallics","2015","34","20","5057","","10.1021/acs.organomet.5b00635","","","1.54184","CuKα","","0.0315","0.0309","","0.0827","0.082","0.0827","","","","","","0.9988","","","","has coordinates","237040","2020-10-21","18:00:00",""
"4087893","16.838","0.004","17.521","0.004","19.098","0.004","90","","90","","90","","5634","2","98","2","98","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H71 Cl4 Mn2 N4 -","- C54 H71 Cl4 Mn2 N4 -","- C216 H284 Cl16 Mn8 N16 -","4","1","","Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands","Organometallics","2015","34","20","5088","","10.1021/acs.organomet.5b00684","","","0.71073","MoKα","","0.064","0.0541","","","0.115","0.1242","","","","","","1.012","","","","has coordinates,has disorder","237096","2020-10-21","18:00:00",""
"4088177","17.645","0.004","16.163","0.003","11.135","0.002","90","","90","","90","","3175.7","1.1","173","","173","","","","","","","","","8","P n a 21","P 2c -2n","33","","Tetraethylammonium (?2-carbonyl)-(bromo-tetracarbonyl-manganese)-nonacarbonyl-arsenic-tri-iron","","- C22 H20 As Br Fe3 Mn N O14 -","- C22 H20 As Br Fe3 Mn N O14 -","- C88 H80 As4 Br4 Fe12 Mn4 N4 O56 -","4","1","","Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.","Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials","Organometallics","2016","35","4","471","","10.1021/acs.organomet.5b00906","","","0.71073","MoKα","","0.0576","0.0367","","","0.0773","0.0918","","","","","","1.153","","","","has coordinates","237337","2020-10-21","18:00:00",""
"4088231","11.602","0.003","14.72","0.004","19.504","0.005","90","","90","","90","","3330.9","1.5","273","","273","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H26 As2 I2 Pt -","- C36 H26 As2 I2 Pt -","- C144 H104 As8 I8 Pt4 -","4","1","","Imoto, Hiroaki; Tanaka, Susumu; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Yumura, Takashi; Naka, Kensuke","Highly Efficient Solid-State Phosphorescence of Platinum Dihalide Complexes with 9-Phenyl-9-arsafluorene Ligands","Organometallics","2016","35","3","364","","10.1021/acs.organomet.5b00944","","","0.71075","MoKα","","0.0387","0.0353","","","0.0783","0.08","","","","","","1.101","","","","has coordinates","237401","2020-10-21","18:00:00",""
"4088249","17.4593","0.0011","12.4412","0.0008","15.8779","0.001","90","","90","","90","","3448.9","0.4","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H45 Cl3 N2 Ru Si -","- C33 H45 Cl3 N2 Ru Si -","- C132 H180 Cl12 N8 Ru4 Si4 -","4","1","","Mai, Van Hung; Korobkov, Ilia; Nikonov, Georgii I.","Half-Sandwich Silane σ-Complexes of Ruthenium Supported by NHC Carbene","Organometallics","2016","35","7","936","","10.1021/acs.organomet.5b00958","","","0.71073","MoKα","","0.0329","0.0296","","","0.0662","0.0678","","","","","","1.03","","","","has coordinates","237412","2020-10-21","18:00:00",""
"4088342","20.6345","0.001","8.0577","0.0004","12.4254","0.0006","90","","90","","90","","2065.93","0.17","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H29 I N O P Pd -","- C17 H29 I N O P Pd -","- C68 H116 I4 N4 O4 P4 Pd4 -","4","1","","Khake, Shrikant M.; Jagtap, Rahul A.; Dangat, Yuvraj B.; Gonnade, Rajesh G.; Vanka, Kumar; Punji, Benudhar","Mechanistic Insights into Pincer-Ligated Palladium-Catalyzed Arylation of Azoles with Aryl Iodides: Evidence of a PdII‒PdIV‒PdII Pathway","Organometallics","2016","35","6","875","","10.1021/acs.organomet.6b00003","","","0.71073","MoKα","","0.0213","0.021","","","0.0529","0.053","","","","","","1.056","","","","has coordinates","237475","2020-10-21","18:00:00",""
"4088344","20.8926","0.0008","8.161","0.0003","11.7355","0.0004","90","","90","","90","","2000.96","0.13","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H29 Cl N O P Pd -","- C17 H29 Cl N O P Pd -","- C68 H116 Cl4 N4 O4 P4 Pd4 -","4","1","","Khake, Shrikant M.; Jagtap, Rahul A.; Dangat, Yuvraj B.; Gonnade, Rajesh G.; Vanka, Kumar; Punji, Benudhar","Mechanistic Insights into Pincer-Ligated Palladium-Catalyzed Arylation of Azoles with Aryl Iodides: Evidence of a PdII‒PdIV‒PdII Pathway","Organometallics","2016","35","6","875","","10.1021/acs.organomet.6b00003","","","0.71073","MoKα","","0.0394","0.0303","","","0.06","0.0636","","","","","","1.038","","","","has coordinates","237479","2020-10-21","18:00:00",""
"4088687","28.6819","0.0019","9.0185","0.0006","21.1144","0.0014","90","","90","","90","","5461.6","0.6","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","jonlm07","(dippe)Pd(Me)(CNBEt3)","","- C22 H50 B N P2 Pd -","- C22 H50 B N P2 Pd -","- C176 H400 B8 N8 P16 Pd8 -","8","2","","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","","0.1627","0.1195","","","0.237","0.2601","","","","","","1.085","","","","has coordinates","237767","2020-10-21","18:00:00",""
"4088689","16.9464","0.0015","13.0266","0.0011","30.638","0.003","90","","90","","90","","6763.5","1.1","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","jonlm38","(dippe)Pd(Me)(CNBPh3)","","- C34 H50 B N P2 Pd -","- C34 H50 B N P2 Pd -","- C272 H400 B8 N8 P16 Pd8 -","8","2","","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","","0.0848","0.0523","","","0.094","0.1055","","","","","","1.055","","","","has coordinates","237767","2020-10-21","18:00:00",""
"4088740","15.318","0.002","10.6428","0.0016","8.5508","0.0013","90","","90","","90","","1394","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H16 Co N5 O2 -","- C11 H16 Co N5 O2 -","- C44 H64 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.029","0.0234","","","0.0562","0.0586","","","","","","1.035","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088808","20.5497","0.0007","10.693","0.0004","16.3614","0.0005","90","","90","","90","","3595.2","0.2","101","2","101","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H41 Co N2 P2 -","- C45 H41 Co N2 P2 -","- C180 H164 Co4 N8 P8 -","4","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","","0.0655","0.0552","","","0.0982","0.1012","","","","","","1.13","","","","has coordinates","237838","2020-10-21","18:00:00",""
"4088809","15.326","0.0005","18.1145","0.0006","16.2045","0.0006","90","","90","","90","","4498.7","0.3","103","2","102.78","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H59 Co N2 O2 P2 -","- C54 H59 Co N2 O2 P2 -","- C216 H236 Co4 N8 O8 P8 -","4","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","","0.0315","0.0299","","","0.0793","0.0804","","","","","","1.07","","","","has coordinates,has disorder","237838","2020-10-21","18:00:00",""
"4088854","12.502","0.0005","8.8053","0.0003","13.5439","0.0005","90","","90","","90","","1490.96","0.1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C7 H9 Cl3 Ga O4 Os P -","- C7 H9 Cl3 Ga O4 Os P -","- C28 H36 Cl12 Ga4 O16 Os4 P4 -","4","1","","Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Metal-Only Lewis Pairs Based on Zerovalent Osmium","Organometallics","2016","35","15","2567","","10.1021/acs.organomet.6b00495","","","0.71073","MoKα","","0.0211","0.0207","","","0.0556","0.0564","","","","","","1.454","","","","has coordinates","237858","2020-10-21","18:00:00",""
"4089066","22.961","0.003","8.1876","0.001","14.2393","0.0017","90","","90","","90","","2676.9","0.6","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Cl Cr N P2 -","- C23 H42 Cl Cr N P2 -","- C92 H168 Cl4 Cr4 N4 P8 -","4","1","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Chromium(II) Pincer Complexes with Dearomatized PNP and PNC Ligands: A Comparative Study of Their Catalytic Ethylene Oligomerization Activity","Organometallics","2016","35","24","4044","","10.1021/acs.organomet.6b00685","","","0.71073","MoKα","","0.1077","0.0679","","","0.1011","0.1135","","","","","","1.087","","","","has coordinates","237960","2020-10-21","18:00:00",""
"4089070","25.1423","0.0008","12.1416","0.0004","17.4552","0.0006","90","","90","","90","","5328.5","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H69 B F15 N3 Zr -","- C55 H69 B F15 N3 Zr -","- C220 H276 B4 F60 N12 Zr4 -","4","1","","Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger","Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors","Organometallics","2016","35","21","3728","","10.1021/acs.organomet.6b00688","","","0.71073","MoKα","","0.0567","0.0371","","","0.0679","0.0742","","","","","","1.031","","","","has coordinates","237962","2020-10-21","18:00:00",""
"4089160","15.9894","0.0006","11.9939","0.0004","17.7371","0.0006","90","","90","","90","","3401.5","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Ru-6b","","- C38 H44 N2 O3 Ru S -","- C38 H44 N2 O3 Ru S -","- C152 H176 N8 O12 Ru4 S4 -","4","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","","0.0197","0.0194","","","0.0498","0.05","","","","","","1.047","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089334","17.474","0.005","8.561","0.003","29.44","0.009","90","","90","","90","","4404","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H25 N O7 -","- C24 H25 N O7 -","- C192 H200 N8 O56 -","8","2","","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","","0.0364","0.0326","","","0.0846","0.0873","","","","","","1.004","","","","has coordinates,has disorder","244972","2020-10-21","18:00:00",""
"4089408","22.1068","0.0011","8.5756","0.0004","18.6294","0.0009","90","","90","","90","","3531.7","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H33 Cu F18 K O9 -","- C24 H33 Cu F18 K O9 -","- C96 H132 Cu4 F72 K4 O36 -","4","1","","Hannigan, Steven F.; Lum, June S.; Bacon, Jeffrey W.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Room Temperature Stable Organocuprate Copper(III) Complex","Organometallics","2013","32","12","3429","","10.1021/om4000538","","","0.71073","MoKα","","0.029","0.0277","","","0.0719","0.0729","","","","","","1.033","","","","has coordinates","243634","2020-10-21","18:00:00",""
"4089467","15.525","0.0005","8.2613","0.0003","22.6528","0.0007","90","","90","","90","","2905.37","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H18 S Si -","- C16 H18 S Si -","- C128 H144 S8 Si8 -","8","2","","Durka, Krzysztof; Kliś, Tomasz; Serwatowski, Janusz; Woźniak, Krzysztof","Influence of the Silyl Group on the Reactivity of Some Ortho-Lithiated Aryl Alkyl Sulfides","Organometallics","2013","32","11","3145","","10.1021/om400236x","","","0.71073","MoKα","","0.1081","0.0556","","","0.1033","0.1357","","","","","","1.037","","","","has coordinates","243652","2020-10-21","18:00:00",""
"4089598","25.895","0.0012","17.5143","0.0007","9.6975","0.0004","90","","90","","90","","4398.1","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C59 H49 B N2 -","- C59 H49 B N2 -","- C236 H196 B4 N8 -","4","1","","Braunschweig, Holger; Maier, Jonathan; Radacki, Krzysztof; Wahler, Johannes","Ring Expansion of 7-Boranorbornadienes by Coordination with an N-Heterocyclic Carbene","Organometallics","2013","32","21","6353","","10.1021/om400708y","","","0.71073","MoKα","","0.052","0.0373","","","0.0829","0.0888","","","","","","1.16","","","","has coordinates","243695","2020-10-21","18:00:00",""
"4089616","22.009","0.005","10.033","0.003","39.55","0.009","90","","90","","90","","8733","4","110","","110","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C82 H88 Cl12 N4 O4 P4 Pt4 -","- C82 H88 Cl12 N4 O4 P4 Pt4 -","- C328 H352 Cl48 N16 O16 P16 Pt16 -","4","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","","0.0816","0.044","","","0.0788","0.0902","","","","","","1.017","","","","has coordinates,has disorder","243703","2020-10-21","18:00:00",""
"4089641","10.497","0.003","21.965","0.006","15.325","0.004","90","","90","","90","","3533.4","1.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H40 Cl N3 O9 Pd -","- C33 H40 Cl N3 O9 Pd -","- C132 H160 Cl4 N12 O36 Pd4 -","4","1","","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","","0.0321","0.0286","","","0.0651","0.0668","","","","","","1.051","","","","has coordinates,has disorder","243712","2020-10-21","18:00:00",""
"4089721","34.0509","0.0009","9.3173","0.0001","22.2269","0.0006","90","","90","","90","","7051.8","0.3","173","2","173","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","[Sn(Et)(O2CCF3){C(SiMe3)2SiMe2CH2CH2SiMe2C(SiMe3)2}]","","","- C24 H57 F3 O2 Si6 Sn -","- C24 H53.88 F3 O2 Si6 Sn -","- C192 H431.04 F24 O16 Si48 Sn8 -","8","2","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.71073","MoKα","","0.0523","0.0408","","","0.0878","0.0932","","","","","","1.017","","","","has coordinates,has disorder","247258","2020-10-21","18:00:00",""
"4100001","11.0032","0.0012","9.6385","0.0011","14.3586","0.0016","90","","90","","90","","1522.8","0.3","150","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl N2 Ni -","- C14 H25 Cl N2 Ni -","- C56 H100 Cl4 N8 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100002","11.2997","0.0012","9.7379","0.0011","14.7603","0.0016","90","","90","","90","","1624.2","0.3","150","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Br N2 Ni -","- C14 H25 Br N2 Ni -","- C56 H100 Br4 N8 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0438821","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100048","12.187","0.0004","6.823","0.0002","32.524","0.001","90","","90","","90","","2704.4","0.2","273.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C128 H104 B8 F16 O16 -","8","2","","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","218965","2020-10-21","18:00:00",""
"4100131","18.461","0.0005","13.905","0.0003","12.337","0.0003","90","","90","","90","","3166.9","0.1","273.2","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H29 Cl3 O6 -","- C35 H29 Cl3 O6 -","- C140 H116 Cl12 O24 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100203","39.64","0.0003","13.649","0.001","20.009","0.0017","90","","90","","90","","10825.8","1.2","120","0.1","120","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C95 H151 B F16 Si10 -","- C95 H151 B F16 Si10 -","- C380 H604 B4 F64 Si40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja053202+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100214","10.9909","0.0009","29.777","0.002","11.2275","0.0009","90","","90","","90","","3674.5","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Me3NN]Ni-NAd(h4-C5H5CoCp)","","","- C43 H54 Co N3 Ni -","- C43 H54 Co N3 Ni -","- C172 H216 Co4 N12 Ni4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100291","20.8343","0.0012","10.083","0.0006","13.5064","0.0008","90","","90","","90","","2837.3","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H36 O19 V6 -","- C12 H36 O19 V6 -","- C48 H144 O76 V24 -","4","1","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100345","10.0483","0.0009","24.824","0.002","9.4468","0.0003","90","","90","","90","","2356.4","0.7","150.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100390","9.9338","0.0002","26.1144","0.0004","7.9396","0.0001","90","","90","","90","","2059.65","0.06","200","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Michael S. Sherburn; Alan D. Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100523","9.32","0.002","19.38","0.004","8.096","0.0018","90","","90","","90","","1462.3","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H10 B F4 Mn O3 -","- C15 H10 B F4 Mn O3 -","- C60 H40 B4 F16 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100529","17.4257","0.001","7.8816","0.0005","11.0119","0.0006","90","","90","","90","","1512.4","0.15","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H8 B F4 Mn O3 -","- C15 H8 B F4 Mn O3 -","- C60 H32 B4 F16 Mn4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0527370","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100587","12.6016","0.0005","10.6999","0.0005","12.1039","0.0006","90","","90","","90","","1632","0.1","296.2","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H14 Cl N O Se -","- C17 H14 Cl N O Se -","- C68 H56 Cl4 N4 O4 Se4 -","4","1","","Fujiwara, Shin-ichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052175k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100689","19.2252","0.0008","13.829","0.0004","33.1357","0.0015","90","","90","","90","","8809.6","0.6","200","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H68 Eu2 N19 O26.5 -","- C80 H67 Eu2 N19 O26.5 -","- C320 H268 Eu8 N76 O106 -","4","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","277856","2022-09-14","23:31:28",""
"4100703","15.9095","0.0015","9.9404","0.0009","15.1263","0.0014","90","","90","","90","","2392.2","0.4","163","2","163","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H37 Sm -","- C27 H37 Sm -","- C108 H148 Sm4 -","4","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",""
"4100799","21.4414","0.0002","14.376","0.0003","9.1017","0.0005","90","","90","","90","","2805.52","0.17","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H26 N2 O2 Si -","- C34 H26 N2 O2 Si -","- C136 H104 N8 O8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100800","21.8115","0.0004","14.0448","0.0002","9.2118","0.0001","90","","90","","90","","2821.93","0.07","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H26 N2 Si -","- C35 H26 N2 Si -","- C140 H104 N8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101176","12.41","0","15.272","0.001","10.445","0.001","90","","90","","90","","1980.3","0","273.1","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H27 Cu F3 N3 O3 S -","- C13 H27 Cu F3 N3 O3 S -","- C52 H108 Cu4 F12 N12 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056740v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101286","19.1884","0.0012","12.1771","0.0008","19.0995","0.0012","90","","90","","90","","4462.8","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[RuCp(=C(COOEt)-η^3^-CHC(COOEt)CH-IPr^i^)]PF~6~.CH~2~Cl~2~","","","- C43 H55 Cl2 F6 N2 O4 P Ru -","- C43 H55 Cl2 F6 N2 O4 P Ru -","- C172 H220 Cl8 F24 N8 O16 P4 Ru4 -","4","1","","Becker, Eva; Stingl, Verena; Dazinger, Georg; Puchberger, Michael; Mereiter, Kurt; Kirchner, Karl","Facile migratory insertion of a N-heterocyclic carbene into a ruthenium-carbon double bond: a new type of reaction of a NHC ligand.","Journal of the American Chemical Society","2006","128","20","6572","6573","10.1021/ja061454k","","","0.71073","MoKα","","0.0364","0.0333","","","0.0881","0.0903","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4101290","18.778","0.002","9.4456","0.001","13.1493","0.0013","90","","90","","90","","2332.3","0.4","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H27 B N7 P Ru -","- C20 H27 B N7 P Ru -","- C80 H108 B4 N28 P4 Ru4 -","4","1","","Feng, Yuee; Lail, Marty; Foley, Nicholas A; Gunnoe, T Brent; Barakat, Khaldoon A; Cundari, Thomas R; Petersen, Jeffrey L","Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes.","Journal of the American Chemical Society","2006","128","24","7982","7994","10.1021/ja0615775","","","0.71073","MoKα","","0.0441","0.0386","","","0.0883","0.0919","","","","","","1.04","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101356","21.3799","0.0007","24.3158","0.0014","18.4091","0.001","90","","90","","90","","9570.3","0.8","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C90 H124 N12 O26 Ru6 -","- C90 H96 N12 O26 Ru6 -","- C360 H384 N48 O104 Ru24 -","4","1","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.71073","MoKα","","0.0699","0.0416","","","0.0683","0.0744","","","","","","0.794","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101388","21.116","0.004","10.467","0.002","26.338","0.005","90","","90","","90","","5821.3","1.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H47 Co K N6 O4 -","- C19 H37 Co K N6 O3 -","- C152 H296 Co8 K8 N48 O24 -","8","2","","Lucas, Robie L; Zart, Matthew K; Mukherjee, Jhumpa; Murkerjee, Jhumpa; Sorrell, Thomas N; Powell, Douglas R; Borovik, A S","A modular approach toward regulating the secondary coordination sphere of metal ions: differential dioxygen activation assisted by intramolecular hydrogen bonds.","Journal of the American Chemical Society","2006","128","48","15476","15489","10.1021/ja063935+","","","0.71073","MoKα","","0.0655","0.0602","","","0.1486","0.153","","","","","","1.012","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101648","14.3694","0.0013","16.5282","0.0014","19.6525","0.0017","90","","90","","90","","4667.5","0.7","125","2","125","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H63 Fe N4 Si2 Y -","- C49 H63 Fe N4 Si2 Y -","- C196 H252 Fe4 N16 Si8 Y4 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.085","0.0469","","","0.0859","0.0979","","","","","","0.961","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101650","24.396","0.01","11.83","0.005","16.723","0.007","90","","90","","90","","4826","3","101","2","101","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C50 H67 Fe Lu N4 O Si2 -","- C50 H67 Fe Lu N4 O Si2 -","- C200 H268 Fe4 Lu4 N16 O4 Si8 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.086","0.0454","","","0.068","0.0789","","","","","","0.978","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101653","19.018","0.003","17.284","0.003","11.281","0.002","90","","90","","90","","3708.1","1.1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H57 Fe La N2 O Si2 -","- C35 H57 Fe La N2 O Si2 -","- C140 H228 Fe4 La4 N8 O4 Si8 -","4","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0565","0.0364","","","0.0601","0.0657","","","","","","1.006","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101803","19.715","","3.902","","17.846","","90","","90","","90","","1372.86","","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","2a","","","- C16 H4 S6 -","- C20.1333 H4.73333 S7.89333 -","- C60.4 H14.2 S23.68 -","3","0.75","","Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda","Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties","Journal of the American Chemical Society","2010","132","","1066","1074","10.1021/ja908161r","","","0.71073","MoKα","","0.0454","0.0402","","","0.1115","0.1168","","","","","","0.922","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101916","28.464","0.003","14.0417","0.0014","9.3917","0.0009","90","","90","","90","","3753.7","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris(N,N-dimethylaminodiboranato)erbium(III)","","- C12 H72 B12 Er2 N6 -","- C12 H72 B12 Er2 N6 -","- C48 H288 B48 Er8 N24 -","4","1","","Scott R. Daly; Do Young Kim; Yu Yang; John R. Abelson; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates: Highly Volatile Precursors for the Deposition of Lanthanide-Containing Thin Films","Journal of the American Chemical Society","2010","132","","2106","2107","10.1021/ja9098005","","","0.71073","MoKα","","0.1403","0.0476","","","0.0612","0.0762","","","","","","0.712","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4102397","16.0764","0.0008","20.7006","0.001","8.5956","0.0004","90","","90","","90","","2860.5","0.2","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H42 N O P Pd -","- C31 H42 N O P Pd -","- C124 H168 N4 O4 P4 Pd4 -","4","1","","Patrick S. Hanley; Dean Marković; John F. Hartwig","Intermolecular Insertion of Ethylene and Octene into a Palladium-Amide Bond. Spectroscopic Evidence for an Ethylene Amido Intermediate","Journal of the American Chemical Society","2010","132","","6302","6303","10.1021/ja102172m","","","0.71073","MoKα","","0.0606","0.038","","","0.0683","0.0759","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102479","15.1267","0.0009","20.0939","0.0013","7.4239","0.0005","90","","90","","90","","2256.5","0.2","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H34 Cl6 Cu N4 O3 -","- C12 H34 Cl6 Cu N4 O3 -","- C48 H136 Cl24 Cu4 N16 O12 -","4","1","","Wen Zhang; Heng-Yun Ye; Hong-Ling Cai; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Discovery of New Ferroelectrics: [H2dbco]2.[Cl3].[CuCl3(H2O)2].H2O (dbco = 1,4-Diaza-bicyclo[2.2.2]octane)","Journal of the American Chemical Society","2010","132","","7300","7302","10.1021/ja102573h","","","0.71073","MoKα","","0.0408","0.0363","","","0.0821","0.0962","","","","","","1.104","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102480","15.0638","0.0008","20.0568","0.0015","7.4158","0.0005","90","","90","","90","","2240.5","0.3","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H34 Cl6 Cu N4 O3 -","- C12 H34 Cl6 Cu N4 O3 -","- C48 H136 Cl24 Cu4 N16 O12 -","4","1","","Wen Zhang; Heng-Yun Ye; Hong-Ling Cai; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Discovery of New Ferroelectrics: [H2dbco]2.[Cl3].[CuCl3(H2O)2].H2O (dbco = 1,4-Diaza-bicyclo[2.2.2]octane)","Journal of the American Chemical Society","2010","132","","7300","7302","10.1021/ja102573h","","","0.71073","MoKα","","0.0322","0.0306","","","0.0836","0.0909","","","","","","1.144","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102499","8.1086","0.0008","15.061","0.0014","8.6327","0.0008","90","","90","","90","","1054.26","0.17","103","2","103","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","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","","0.0721","0.0714","","","0.1769","0.1773","","","","","","1.253","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102511","21.8574","0.0009","14.4461","0.0006","15.6143","0.0006","90","","90","","90","","4930.3","0.3","153","2","153","2","","","","","","","","8","P n a 21","P 2c -2n","33","[NBu4][ToMZn(Cl)N(SiHMe2)2]","[NBu4]chloro tris(4,4-Me-2-oxazolinyl)phenylborato tetramethyldisilazato zinc","","- C41 H79 B Cl N5 O3 Si2 Zn -","- C41 H79 B Cl N5 O3 Si2 Zn -","- C164 H316 B4 Cl4 N20 O12 Si8 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Conversion of a Zinc Disilazide to a Zinc Hydride Mediated by LiCl","Journal of the American Chemical Society","2010","132","","7582","7583","10.1021/ja102323g","","","0.71073","MoKα","","0.0461","0.033","","","0.0705","0.0754","","","","","","1.028","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102520","11.6744","0.0003","18.4324","0.0004","10.8887","0.0002","90","","90","","90","","2343.11","0.09","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H34 Cl N7 O7 -","- C15 H34 Cl N7 O7 -","- C60 H136 Cl4 N28 O28 -","4","1","","Moushumi Sarma; Apurba Kalita; Pankaj Kumar; Amardeep Singh; Biplab Mondal","Reduction of Copper(II) Complexes of Tripodal Ligands by Nitric Oxide and Trinitrosation of the Ligands","Journal of the American Chemical Society","2010","132","","7846","7847","10.1021/ja102279c","","","0.71073","MoKα","","0.0692","0.0537","","","0.1545","0.1687","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102522","15.6993","0.0004","6.8584","0.0002","28.0209","0.0008","90","","90","","90","","3017.07","0.15","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(1-Acetoxy-2-methylpropenyl)-2-dimethylcarbamoylcyclopropanecarboxylic acid methyl ester","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C112 H168 N8 O40 -","8","2","","Yu Shibata; Keiichi Noguchi; Ken Tanaka","Cationic Rhodium(I) Complex-Catalyzed [3 + 2] and [2 + 1] Cycloadditions of Propargyl Esters with Electron-Deficient Alkynes and Alkenes","Journal of the American Chemical Society","2010","132","","7896","7898","10.1021/ja102418h","","","1.54187","CuKα","","0.1776","0.1264","","","0.278","0.32","","","","","","1.006","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102581","9.153","0.006","11.934","0.008","4.372","0.003","90","","90","","90","","477.6","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B3 Be Na O6 -","- B3 Be Na O6 -","- B12 Be4 Na4 O24 -","4","1","","Shichao Wang; Ning Ye; Wei Li; Dan Zhao","Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals","Journal of the American Chemical Society","2010","132","","8779","8786","10.1021/ja102737t","","","0.71073","MoKα","","0.0438","0.0378","","","0.0741","0.0763","","","","","","1.11","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102620","17.0033","0.0011","19.284","0.0013","10.0283","0.0007","90","","90","","90","","3288.2","0.4","100","2","100","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H38 Br Cl2 Ir P2 Si -","- C32 H38 Br Cl2 Ir P2 Si -","- C128 H152 Br4 Cl8 Ir4 P8 Si4 -","4","1","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0359","0.0266","","","0.0406","0.0416","","","","","","0.814","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102715","32.546","0.003","6.9766","0.0006","11.6982","0.001","90","","90","","90","","2656.2","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H16 B10 O -","- C8 H16 B10 O -","- C64 H128 B80 O8 -","8","2","","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","","0.1238","0.087","","","0.2239","0.2611","","","","","","1.027","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102858","10.187","0.005","15.423","0.008","9.57","0.005","90","","90","","90","","1503.6","1.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.0555","0.0395","","","0.1007","0.1134","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102955","19.358","0.003","12.646","0.002","18.038","0.003","90","","90","","90","","4415.7","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H45 Cl Ir P3 -","- C54 H45 Cl Ir P3 -","- C216 H180 Cl4 Ir4 P12 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson's Catalyst?","Journal of the American Chemical Society","2010","132","","12013","12026","10.1021/ja1039693","","","0.71073","MoKα","","0.0898","0.0436","","","0.0673","0.0811","","","","","","0.961","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102956","32.705","0.009","12.187","0.003","10.985","0.003","90","","90","","90","","4378","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H45 Cl Ir P3 -","- C54 H45 Cl Ir P3 -","- C216 H180 Cl4 Ir4 P12 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson's Catalyst?","Journal of the American Chemical Society","2010","132","","12013","12026","10.1021/ja1039693","","","0.71073","MoKα","","0.043","0.0303","","","0.06","0.0635","","","","","","1.01","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102957","32.86","0.005","12.2247","0.0018","10.9774","0.0015","90","","90","","90","","4409.7","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H48 O0 P3 Rh -","- C55 H48 P3 Rh -","- C220 H192 P12 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3M(X)] (M = Rh, Ir). The Red and Orange Forms of [(Ph3P)3Ir(Cl)]. Which Phosphine Dissociates Faster from Wilkinson's Catalyst?","Journal of the American Chemical Society","2010","132","","12013","12026","10.1021/ja1039693","","","0.71073","MoKα","","0.1659","0.1166","","","0.2596","0.28","","","","","","1.404","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102978","14.981","0.003","25.995","0.005","6.9486","0.0014","90","","90","","90","","2706","0.9","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H39 Al2 Cl2 N3 -","- C22 H39 Al2 Cl2 N3 -","- C88 H156 Al8 Cl8 N12 -","4","1","","Chung-Chih Tsai; Wei-Chih Shih; Cyong-Hui Fang; Chia-Yi Li; Tiow-Gan Ong; Glenn P. A. Yap","Bimetallic Nickel Aluminun Mediated Para-Selective Alkenylation of Pyridine: Direct Observation of η2,η1-Pyridine Ni(0)-Al(III) Intermediates Prior to C-H Bond Activation","Journal of the American Chemical Society","2010","132","","11887","11889","10.1021/ja1061246","","","0.71073","MoKα","","0.2269","0.0932","","","0.1643","0.2139","","","","","","1.007","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4103106","8.1013","0.0004","19.9354","0.001","9.799","0.0005","90","","90","","90","","1582.56","0.14","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Thiourea - 1-(4-pyridyl)-2-(2,4-dichlorophenyl)ethylene (1:1 co-crystal)","","- C14 H13 Cl2 N3 S -","- C14 H13 Cl2 N3 S -","- C56 H52 Cl8 N12 S4 -","4","1","","Balakrishna R. Bhogala; Burjor Captain; Anand Parthasarathy; V. Ramamurthy","Thiourea as a Template for Photodimerization of Azastilbenes","Journal of the American Chemical Society","2010","132","","13434","13442","10.1021/ja105166d","","","0.71073","MoKα","","0.043","0.0306","","","0.0686","0.0744","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103222","19.7588","0.0009","7.783","0.0004","20.3595","0.001","90","","90","","90","","3130.9","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H37 Br O6 -","- C36 H37 Br O6 -","- C144 H148 Br4 O24 -","4","1","","Qiang Zhang; Branko Mitasev; Ji Qi; John A. Porco","Total Synthesis of Plukenetione A","Journal of the American Chemical Society","2010","132","","14212","14215","10.1021/ja105784s","","","0.71073","MoKα","","0.0677","0.0363","","","0.0699","0.0791","","","","","","1.02","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103247","20.116","0.003","9.738","0.005","18.742","0.006","90","","90","","90","","3671","2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H48 N2 Si Zr -","- C40 H48 N2 Si Zr -","- C160 H192 N8 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0812","0.075","","","0.1269","0.1295","","","","","","1.242","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103317","21.509","0.002","6.355","0.002","36.997","0.002","90","","90","","90","","5057.1","1.7","295","2","295","2","","","","","","","","7","P n a 21","P 2c -2n","33","","hexacarbonyldi-μ-chloro(μ-4,5-bis(trimethylsilyl)pyridazine-κN1:κN2) dirhenium","","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C128 H160 Cl16 N16 O48 Re16 Si16 -","8","2","","Elsa Quartapelle Procopio; Matteo Mauro; Monica Panigati; Daniela Donghi; Pierluigi Mercandelli; Angelo Sironi; Giuseppe D'Alfonso; Luisa De Cola","Highly Emitting Concomitant Polymorphic Crystals of a Dinuclear Rhenium Complex","Journal of the American Chemical Society","2010","132","","14397","14399","10.1021/ja106772v","","","0.71073","MoKα","","0.04","0.0344","","","0.0864","0.0917","","","","","","1.066","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103324","17.0379","0.0014","8.026","0.0007","18.886","0.0016","90","","90","","90","","2582.6","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd-complex","Pd-complex","","- C23 H31 N3 O11 Pd -","- C23 H31 N3 O11 Pd -","- C92 H124 N12 O44 Pd4 -","4","1","","Williamson Oloo; Peter Y. Zavalij; Jing Zhang; Eugene Khaskin; Andrei N. Vedernikov","Preparation and C-X Reductive Elimination Reactivity of Monoaryl PdIV-X Complexes in Water (X = OH, OH2, Cl, Br)","Journal of the American Chemical Society","2010","132","","14400","14402","10.1021/ja107185w","","","0.71073","MoKα","","0.0269","0.0229","","","0.0454","0.0469","","","","","","1","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103340","13.694","0.002","7.116","0.0012","26.1","0.004","90","","90","","90","","2543.4","0.7","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H16 Br N O -","- C14 H16 Br N O -","- C112 H128 Br8 N8 O8 -","8","2","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0339","0.0292","","","0.0742","0.0865","","","","","","1.026","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103487","12.516","0.005","12.003","0.005","7.566","0.003","90","","90","","90","","1136.6","0.8","223.1","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H11 I2 Ir O S -","- C7 H11 I2 Ir O S -","- C28 H44 I8 Ir4 O4 S4 -","4","1","","James D. Blakemore; Nathan D. Schley; David Balcells; Jonathan F. Hull; Gerard W. Olack; Christopher D. Incarvito; Odile Eisenstein; Gary W. Brudvig; Robert H. Crabtree","Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis","Journal of the American Chemical Society","2010","132","","16017","16029","10.1021/ja104775j","","","0.71075","MoKα","","","0.0201","","","","0.04","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103496","17.164","0.015","9.756","0.009","12.097","0.011","90","","90","","90","","2026","3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H32 B10 -","- C15 H32 B10 -","- C60 H128 B40 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.0838","0.0484","","","0.1062","0.1257","","","","","","1.082","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103539","27.3035","0.0019","12.9231","0.0009","14.0208","0.001","90","","90","","90","","4947.2","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H68 Cl2 P4 Pt2 -","- C44 H67 Cl2 P4 Pt2 -","- C176 H268 Cl8 P16 Pt8 -","4","1","","Fang Lin; Hai-Yan Peng; Jing-Xing Chen; David T. W. Chik; Zongwei Cai; Keith M. C. Wong; Vivian W. W. Yam; Henry N. C. Wong","Synthesis and Photophysical Studies of Chiral Helical Macrocyclic Scaffolds via Coordination-Driven Self-Assembly of 1,8,9,16-Tetraethynyltetraphenylene. Formation of Monometallic Platinum(II) and Dimetallic Platinum(II)-Ruthenium(II) Complexes","Journal of the American Chemical Society","2010","132","","16383","16392","10.1021/ja106599j","","","0.71073","MoKα","","0.1127","0.0723","","","0.1595","0.1738","","","","","","0.877","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103567","10.1403","0.001","7.1864","0.0007","13.9617","0.0014","90","","90","","90","","1017.42","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C36 H48 N24 O12 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0266","0.0261","","","0.0675","0.0681","","","","","","1.063","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103638","20.291","0.0005","9.54","0.0004","29.399","0.001","90","","90","","90","","5690.9","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H34 Cl0 Cr N2 O0 -","- C33.12 H38.01 Cl0.11 Cr N2 -","- C264.96 H304.08 Cl0.88 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0642","0.0472","","","0.1193","0.128","","","","","","1.038","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103639","14.176","0.0013","13.2281","0.0012","28.386","0.003","90","","90","","90","","5323","0.9","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H39 Cr N2 -","- C30 H39 Cr N2 -","- C240 H312 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0674","0.0582","","","0.1506","0.1565","","","","","","1.15","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103640","32.4301","0.0013","20.398","0.0009","10.0444","0.0004","90","","90","","90","","6644.5","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H55 Cr N2 -","- C38 H55 Cr N2 -","- C304 H440 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0453","0.0331","","","0.0776","0.0835","","","","","","1.063","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103648","13.9048","0.0003","13.1968","0.0003","28.0798","0.0006","90","","90","","90","","5152.6","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H37 Cr N2 -","- C30 H37 Cr N2 -","- C240 H296 Cr8 N16 -","8","2","","K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith","Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes","Journal of the American Chemical Society","2010","132","","17325","17334","10.1021/ja1083392","","","0.71073","MoKα","","0.0873","0.0512","","","0.1087","0.1244","","","","","","1.013","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103721","19.9341","0.0006","10.8494","0.0003","13.9902","0.0004","90","","90","","90","","3025.7","0.15","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H44 Au Cl3 N O P -","- C31 H44 Au Cl3 N O P -","- C124 H176 Au4 Cl12 N4 O4 P4 -","4","1","","Kevin D. Hesp; Mark Stradiotto","Stereo- and Regioselective Gold-Catalyzed Hydroamination of Internal Alkynes with Dialkylamines","Journal of the American Chemical Society","2010","132","","18026","18029","10.1021/ja109192w","","","0.71073","MoKα","","0.0132","0.0128","","","0.0331","0.0332","","","","","","1.043","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103848","13.777","0.003","8.0323","0.0017","16.268","0.003","90","","90","","90","","1800.2","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 F2 N2 Pd -","- C18 H26 F2 N2 Pd -","- C72 H104 F8 N8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","trans-Difluoro Complexes of Palladium(II)","Journal of the American Chemical Society","2009","131","","918","919","10.1021/ja808975a","","","0.71073","MoKα","","0.1114","0.108","","","0.0599","0.0622","","","","","","0.868","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103905","8.7902","0.0001","45.7088","0.0006","7.6051","0.0001","90","","90","","90","","3055.65","0.07","223.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H25 Cl3 N2 O -","- C38 H25 Cl3 N2 O -","- C152 H100 Cl12 N8 O4 -","4","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","1.54187","CuKα","","","0.037","","","","0.0346","","","","","","0.918","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103954","9.67","0.0002","8.9639","0.0002","16.6568","0.0003","90","","90","","90","","1443.83","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Aaron R. Thornton; Véronique I. Martin; Simon B. Blakey","π-Nucleophile Traps for Metallonitrene/Alkyne Cascade Reactions: A Versatile Process for the Synthesis of α-Aminocyclopropanes and β-Aminostyrenes","Journal of the American Chemical Society","2009","131","","2434","2435","10.1021/ja809078d","","","0.71073","MoKα","","0.0373","0.0346","","","0.0871","0.0895","","","","","","1.004","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103997","14.716","0.0002","9.741","0.0001","20.998","0.0003","90","","90","","90","","3010.03","0.07","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F3 I2 O -","- C14 H9 F3 I2 O -","- C112 H72 F24 I16 O8 -","8","2","","Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando","Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation","Journal of the American Chemical Society","2009","131","","3418","3419","10.1021/ja808113q","","","0.71069","MoKα","","0.0452","0.0395","","","0.1193","0.1343","","","","","","1.171","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4104039","17.4334","0.0009","10.6793","0.0006","14.4679","0.0008","90","","90","","90","","2693.6","0.3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H17 B F15 N O -","- C29 H17 B F15 N O -","- C116 H68 B4 F60 N4 O4 -","4","1","","Stephen J. Geier; Douglas W. Stephan","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.0524","0.0389","","","0.1063","0.1146","","","","","","1.046","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104107","19.926","0.003","12.729","0.0016","17.631","0.002","90","","90","","90","","4471.9","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H45 F3 P3 Rh -","- C55 H45 F3 P3 Rh -","- C220 H180 F12 P12 Rh4 -","4","1","","Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe","Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3","Journal of the American Chemical Society","2009","131","","4236","4238","10.1021/ja9005699","","","0.71073","MoKα","","0.0333","0.027","","","0.0569","0.0598","","","","","","1.031","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104291","22.011","0.006","11.173","0.003","15.114","0.004","90","","90","","90","","3717","1.7","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C34 H58 Si6 -","- C34 H58 Si6 -","- C136 H232 Si24 -","4","1","","Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira","Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition","Journal of the American Chemical Society","2009","131","","3156","3157","10.1021/ja8093313","","","0.71073","MoKα","","0.0555","0.0461","","","0.1122","0.1182","","","","","","1.036","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104321","15.405","0.002","8.594","0.0009","13.0859","0.0016","90","","90","","90","","1732.4","0.4","123.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H27 Br Fe N2 -","- C15 H27 Br Fe N2 -","- C60 H108 Br4 Fe4 N8 -","4","1","","Daisuke Noda; Yusuke Sunada; Takuji Hatakeyama; Masaharu Nakamura; Hideo Nagashima","Effect of TMEDA on Iron-Catalyzed Coupling Reactions of ArMgX with Alkyl Halides","Journal of the American Chemical Society","2009","131","","6078","6079","10.1021/ja901262g","","","0.7107","MoKα","","","0.0482","","","","0.1197","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104627","11.859","0.005","18.165","0.007","11.25","0.004","90","","90","","90","","2423.5","1.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","open-1a","","","- C27 H39 B N2 O -","- C27 H39 B N2 O -","- C108 H156 B4 N8 O4 -","4","1","","Oishi, Shunsuke; Yoshimoto, Junichi; Saito, Susumu","Importance of Open Structure of Nonmetal Based Catalyst in Hydrogen Bond Promoted Methanolysis of Activated Amide: Structure Dynamics between Monomer and Dimer Enabling Recombinant Covalent, Dative, and Hydrogen Bonds","Journal of the American Chemical Society","2009","131","25","8748","8749","10.1021/ja9029494","","","0.7107","MoKα","","0.1163","0.0657","","","0.1524","0.1755","","","","","","0.867","","","","has coordinates,has disorder","210885","2020-10-21","18:00:00",""
"4104922","20.936","0.004","11.511","0.002","8.5179","0.0015","90","","90","","90","","2052.8","0.6","113","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 B F4 Fe O2 -","- C26 H17 B F4 Fe O2 -","- C104 H68 B4 F16 Fe4 O8 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0463","","","","0.0924","","","","","","1.127","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104923","21.098","0.003","11.6557","0.0018","8.5243","0.0013","90","","90","","90","","2096.2","0.5","113","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 B F4 Fe O2 -","- C26 H17 B F4 Fe O2 -","- C104 H68 B4 F16 Fe4 O8 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0438","","","","0.1136","","","","","","1.096","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104924","21.3928","0.0011","11.7972","0.0008","8.7432","0.0005","90","","90","","90","","2206.6","0.2","113","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 F6 Fe O2 P -","- C26 H17 F6 Fe O2 P -","- C104 H68 F24 Fe4 O8 P4 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0387","","","","0.0854","","","","","","1.057","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4104925","21.4729","0.0011","11.9441","0.0008","8.7948","0.0005","90","","90","","90","","2255.6","0.2","273","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H17 F6 Fe O2 P -","- C26 H17 F6 Fe O2 P -","- C104 H68 F24 Fe4 O8 P4 -","4","1","","Mio Kondo; Maai Uchikawa; Kosuke Namiki; Wen-Wei Zhang; Shoko Kume; Eiji Nishibori; Hiroyuki Suwa; Shinobu Aoyagi; Makoto Sakata; Masaki Murata; Yoshio Kobayashi; Hiroshi Nishihara","Counterion-Dependent Valence Tautomerization of Ferrocenyl-Conjugated Pyrylium Salts","Journal of the American Chemical Society","2009","131","","12112","12124","10.1021/ja900393e","","","0.7107","MoKα","","","0.0414","","","","0.0994","","","","","","1.053","","","","has coordinates,has disorder","178795","2020-10-21","18:00:00",""
"4105007","13.2005","0.0006","16.7409","0.0009","5.9633","0.0003","90","","90","","90","","1317.82","0.11","100","2","100","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.71073","MoKα","","0.051","0.0432","","","0.1107","0.115","","","","","","1.07","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105118","7.328","","6.743","","10.816","","90","","90","","90","","534.448","","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H Ce O6 -","- C3 H Ce O6 -","- C12 H4 Ce4 O24 -","4","1","","Jin Chong Tan; Joshua D. Furman; Anthony K. Cheetham","Relating Mechanical Properties and Chemical Bonding in an Inorganic-Organic Framework Material: A Single-Crystal Nanoindentation Study","Journal of the American Chemical Society","2009","131","","14252","14254","10.1021/ja9060307","","","0.71073","MoKα","","0.0174","0.0171","","","0.0432","0.0444","","","","","","1.079","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105187","50.6131","0.0004","19.6787","0.0002","14.3994","0.0001","90","","90","","90","","14341.8","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H84 B3 F24 N2 P2 Rh -","- C60 H84 B3 F24 N2 P2 Rh -","- C480 H672 B24 F192 N16 P16 Rh8 -","8","2","","Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller; Xinzheng Yang; Michael B. Hall","Monomeric and Oligomeric Amine-Borane σ-Complexes of Rhodium. Intermediates in the Catalytic Dehydrogenation of Amine-Boranes","Journal of the American Chemical Society","2009","131","","15440","15456","10.1021/ja906070r","","","0.71073","MoKα","","0.0718","0.0563","","","0.1357","0.1465","","","","","","1.076","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105388","20.9957","0.0004","7.9976","0.0002","12.6211","0.0002","90","","90","","90","","2119.27","0.07","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H34 Li N3 Ti -","- C21 H34 Li N3 Ti -","- C84 H136 Li4 N12 Ti4 -","4","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","1.54184","CuKα","","0.0282","0.0272","","","0.0725","0.0731","","","","","","1.092","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105555","17.91","0.004","13.236","0.003","23.515","0.005","90","","90","","90","","5574","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 6","","","- C57 H66 N2 O9 Sn W -","- C57 H66 N2 O9 Sn W -","- C228 H264 N8 O36 Sn4 W4 -","4","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","","0.0258","0.0227","","","0.0506","0.0515","","","","","","1.118","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105664","13.0601","0.0009","19.0376","0.0013","8.2253","0.0005","90","","90","","90","","2045.1","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H25 N3 -","- C28 H25 N3 -","- C112 H100 N12 -","4","1","","Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel","Redox-Neutral Indole Annulation Cascades","Journal of the American Chemical Society","2011","133","","2100","2103","10.1021/ja110713k","","","0.71073","MoKα","","0.0461","0.0441","","","0.1072","0.1087","","","","","","1.046","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105777","21.784","0.003","10.1799","0.0013","8.4941","0.001","90","","90","","90","","1883.6","0.4","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H31 P3 S W -","- C13 H31 P3 S W -","- C52 H124 P12 S4 W4 -","4","1","","Aaron Sattler; Gerard Parkin","Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten","Journal of the American Chemical Society","2011","133","","3748","3751","10.1021/ja111034g","","","0.71073","MoKα","","0.0391","0.0264","","","0.043","0.0456","","","","","","1.001","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4106097","24.052","0.003","12.1888","0.0018","8.7468","0.0012","90","","90","","90","","2564.3","0.6","140","2","140","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H34 N4 Ni -","- C30 H34 N4 Ni -","- C120 H136 N16 Ni4 -","4","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","","0.096","0.0486","","","0.0815","0.0916","","","","","","0.906","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106245","26.2357","0.0008","10.3821","0.0003","16.5816","0.0005","90","","90","","90","","4516.5","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H32 B F20 O P Zr -","- C48 H32 B F20 O P Zr -","- C192 H128 B4 F80 O4 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Cationic Zirconocene-Phosphinoaryloxide Complexes and Their Application in Catalytic Dehydrogenation of Amine Boranes","Journal of the American Chemical Society","2011","133","","8826","8829","10.1021/ja201989c","","","0.71073","MoKα","","0.0252","0.0232","","","0.0585","0.0597","","","","","","1.042","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106266","20.195","0.006","12.59","0.004","22.879","0.006","90","","90","","90","","5817","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H88 B2 N4 O2 Si -","- C58 H88 B2 N4 O2 Si -","- C232 H352 B8 N16 O8 Si4 -","4","1","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","Cleavage of Carbene-Stabilized Disilicon","Journal of the American Chemical Society","2011","133","","8874","8876","10.1021/ja203208t","","","0.71073","MoKα","","0.0892","0.052","","","0.1162","0.1357","","","","","","1.031","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106329","13.598","0.003","9.344","0.002","13.935","0.003","90","","90","","90","","1770.6","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 N6 S3 Zn -","- C16 H12 N6 S3 Zn -","- C64 H48 N24 S12 Zn4 -","4","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","","0.0577","0.0367","","","0.0697","0.0769","","","","","","1.01","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106505","16.26","0.003","14.869","0.003","13.469","0.003","90","","90","","90","","3256.4","1.1","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H34 Cl2 Fe N6 O8 -","- C30 H34 Cl2 Fe N6 O8 -","- C120 H136 Cl8 Fe4 N24 O32 -","4","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","","0.0799","0.0414","","","0.0775","0.0839","","","","","","0.814","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106508","27.1144","0.0003","15.1513","0.0002","8.5484","0.0001","90","","90","","90","","3511.84","0.07","160","1","160","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H33 B11 Cl6 F2 Si -","- C26 H33 B11 Cl6 F2 Si -","- C104 H132 B44 Cl24 F8 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0501","0.0373","","","0.0845","0.0912","","","","","","1.029","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106564","24.0216","0.0011","17.6157","0.0008","14.6064","0.0007","90","","90","","90","","6180.8","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Ni(PPh2NBn2)2(OAc)]BF4","","","- C66 H77 B F4 N4 Ni O3 P4 -","- C66 H77 B F4 N4 Ni O3 P4 -","- C264 H308 B4 F16 N16 Ni4 O12 P16 -","4","1","","Brandon R. Galan; Julia Schöffel; John C. Linehan; Candace Seu; Aaron M. Appel; John A. S. Roberts; Monte L. Helm; Uriah J. Kilgore; Jenny Y. Yang; Daniel L. DuBois; Clifford P. Kubiak","Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes","Journal of the American Chemical Society","2011","133","","12767","12779","10.1021/ja204489e","","","0.71073","MoKα","","0.0647","0.0429","","","0.0889","0.0974","","","","","","1.022","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106566","15.913","0.003","12.505","0.003","11.285","0.002","90","","90","","90","","2245.6","0.8","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H34 B F4 N O7 -","- C19 H34 B F4 N O7 -","- C76 H136 B4 F16 N4 O28 -","4","1","","Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang","Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6","Journal of the American Chemical Society","2011","133","","12780","12786","10.1021/ja204540g","","","0.71073","MoKα","","0.0343","0.0324","","","0.0788","0.0824","","","","","","1.041","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106756","20.789","0.0006","11.761","0.0004","19.9035","0.0006","90","","90","","90","","4866.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H71 N3 O P Si6 U -","- C37 H71 N3 O P Si6 U -","- C148 H284 N12 O4 P4 Si24 U4 -","4","1","","Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex","Journal of the American Chemical Society","2011","133","","14224","14227","10.1021/ja206083p","","","0.71073","MoKα","","0.0364","0.0262","","","0.0519","0.0552","","","","","","0.977","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106896","16.324","0.004","19.559","0.005","18.516","0.005","90","","90","","90","","5912","3","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","eisbm05","","","- C28 H44 Co N S4 -","- C28 H44 Co N S4 -","- C224 H352 Co8 N8 S32 -","8","2","","William R. McNamara; Zhiji Han; Paul J. Alperin; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","A Cobalt-Dithiolene Complex for the Photocatalytic and Electrocatalytic Reduction of Protons","Journal of the American Chemical Society","2011","133","","15368","15371","10.1021/ja207842r","","","0.71073","MoKα","","0.0877","0.0519","","","0.0989","0.114","","","","","","0.993","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106962","20.405","0.012","23.455","0.014","7.762","0.004","90","","90","","90","","3715","4","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C30 H16 -","- C30 H16 -","- C240 H128 -","8","2","","Tsun-Cheng Wu; Hsin-Ju Hsin; Ming-Yu Kuo; Ching-Hsiu Li; Yao-Ting Wu","Synthesis and Structural Analysis of a Highly Curved Buckybowl Containing Corannulene and Sumanene Fragments","Journal of the American Chemical Society","2011","133","","16319","16321","10.1021/ja2067725","","","0.71073","MoKα","","0.103","0.0643","","","0.1613","0.1941","","","","","","1.034","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107084","25.1379","0.0004","19.8266","0.0003","7.9009","0.0001","90","","90","","90","","3937.8","0.1","153","2","153","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C30 H43 B Cl3 N9 O6 P S W -","- C30 H43 B Cl3 N9 O6 P S W -","- C120 H172 B4 Cl12 N36 O24 P4 S4 W4 -","4","1","","Daniel P. Harrison; Diana A. Iovan; William H. Myers; Michal Sabat; Sisi Wang; Victor E. Zottig; W. Dean Harman","[4 + 2] Cyclocondensation Reactions of Tungsten-Dihydropyridine Complexes and the Generation of Tri- and Tetrasubstituted Piperidines","Journal of the American Chemical Society","2011","133","","18378","18387","10.1021/ja2075086","","","0.71073","MoKα","","0.0299","0.024","","","0.0707","0.0792","","","","","","0.634","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107109","19.7552","0.0003","16.0962","0.0002","15.3579","0.0002","90","","90","","90","","4883.56","0.12","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C52 H42 B F20 O2 P Zr -","- C52 H42 B F20 O2 P Zr -","- C208 H168 B4 F80 O8 P4 Zr4 -","4","1","","Andy M. Chapman; Mairi F. Haddow; Duncan F. Wass","Frustrated Lewis Pairs beyond the Main Group: Synthesis, Reactivity, and Small Molecule Activation with Cationic Zirconocene-Phosphinoaryloxide Complexes","Journal of the American Chemical Society","2011","133","","18463","18478","10.1021/ja207936p","","","0.71073","MoKα","","0.027","0.0246","","","0.0596","0.0612","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107207","19.547","0.003","12.545","0.0019","14.345","0.002","90","","90","","90","","3517.6","0.9","153","","153","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H55 Br N2 Si -","- C39 H55 Br N2 Si -","- C156 H220 Br4 N8 Si4 -","4","1","","Katsunori Suzuki; Tsukasa Matsuo; Daisuke Hashizume; Kohei Tamao","Room-Temperature Dissociation of 1,2-Dibromodisilenes to Bromosilylenes","Journal of the American Chemical Society","2011","133","","19710","19713","10.1021/ja209736d","","","0.71073","MoKα","","0.0549","0.0408","","","0.0769","0.0833","","","","","","0.97","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107488","22.584","0.005","9.846","0.002","18.559","0.004","90","","90","","90","","4126.8","1.5","163","2","163","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H60 Cl2 N2 O4 Zr -","- C42 H60 Cl2 N2 O4 Zr -","- C168 H240 Cl8 N8 O16 Zr4 -","4","1","","Karen J. Blackmore; Neetu Lal; Joseph W. Ziller; Alan F. Heyduk","Catalytic Reactivity of a Zirconium(IV) Redox-Active Ligand Complex with 1,2-Diphenylhydrazine","Journal of the American Chemical Society","2008","130","","2728","2729","10.1021/ja710611v","","","0.71073","MoKα","","0.1005","0.0564","","","0.1331","0.1623","","","","","","1.039","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107875","13.697","0.002","11.7074","0.0016","14.558","0.002","90","","90","","90","","2334.5","0.6","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H18 B F3 Mo N6 O4 -","- C21 H18 B F3 Mo N6 O4 -","- C84 H72 B4 F12 Mo4 N24 O16 -","4","1","","Ethel C. Garnier; Lanny S. Liebeskind","Organometallic Enantiomeric Scaffolding: General Access to 2-Substituted Oxa- and Azabicyclo[3.2.1]octenes via a Brønsted Acid Catalyzed [5 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2008","130","","7449","7458","10.1021/ja800664v","","","0.71073","MoKα","","0.1051","0.0753","","","0.1447","0.1564","","","","","","1.033","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107931","12.3497","0.001","25.303","0.0019","5.5954","0.0005","90","","90","","90","","1748.5","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C92 H68 N4 O12 -","4","1","","Ji Min Lee; Eun Ju Park; Seung Hwan Cho; Sukbok Chang","Cu-Facilitated C-O Bond Formation Using N-Hydroxyphthalimide: Efficient and Selective Functionalization of Benzyl and Allylic C-H Bonds","Journal of the American Chemical Society","2008","130","","7824","7825","10.1021/ja8031218","","","0.71073","MoKα","","0.0354","0.0283","","","0.0767","0.1017","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107978","27.265","0.006","8.1454","0.0016","16.02","0.003","90","","90","","90","","3557.8","1.2","100","","100","","","","","","","","see paper","4","P n a 21","P 2c -2n","33","","","","- C17 H28 Fe P2 -","- C17 H28 Fe P2 -","- C136 H224 Fe8 P16 -","8","2","","Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann","Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions","Journal of the American Chemical Society","2008","130","","8773","8787","10.1021/ja801466t","","","0.71073","MoKα","","0.0612","0.0533","","","0.1521","0.1594","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108065","18.111","0.004","11.438","0.004","17.523","0.004","90","","90","","90","","3630","1.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C37 H56 N2 Rh2 -","- C37 H56 N2 Rh2 -","- C148 H224 N8 Rh8 -","4","1","","Shin Takemoto; Shohei Otsuki; Yasuhiro Hashimoto; Ken Kamikawa; Hiroyuki Matsuzaka","Divalent Dirhodium Imido Complexes: Formation, Structure, and Alkyne Cycloaddition Reactivity","Journal of the American Chemical Society","2008","130","","8904","8905","10.1021/ja8033922","","","0.71075","MoKα","","0.0326","0.0261","","","0.0574","0.0597","","","","","","1.021","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108110","19.109","0.007","7.275","0.003","11.101","0.004","90","","90","","90","","1543.2","1","233","2","233","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H24 Al B9 N -","- C7 H25 Al B9 N -","- C28 H100 Al4 B36 N4 -","4","1","","Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang","Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes","Journal of the American Chemical Society","2008","130","","9904","9917","10.1021/ja802163q","","","0.71073","MoKα","","0.1452","0.0794","","","0.1959","0.2294","","","","","","1.083","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108140","17.1972","0.0004","9.7664","0.0003","20.8704","0.0005","90","","90","","90","","3505.28","0.16","296.1","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H10 Cl14 Mo6 N2 O8 -","- C10 H10 Cl14 Mo6 N2 O8 -","- C40 H40 Cl56 Mo24 N8 O32 -","4","1","","Kei Inumaru; Takashi Kikudome; Hiroshi Fukuoka; Shoji Yamanaka","Reversible Emergence of a Self-Assembled Layered Structure From Three-Dimensional Isotropic Ionic Crystal of a Cluster Compound (4-HNC5H4OH)2Mo6Cl14 Driven By Absorption of Water and Alcohols","Journal of the American Chemical Society","2008","130","","10038","10039","10.1021/ja802752y","","","0.71069","MoKα","","","0.0407","","","","0.048","","","","","","2.704","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108176","17.8356","0.0005","22.9372","0.0007","3.8032","0.0001","90","","90","","90","","1555.88","0.08","160","1","160","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H6 Br4 -","- C20 H6 Br4 -","- C80 H24 Br16 -","4","1","","Yao-Ting Wu; Davide Bandera; Roman Maag; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Multiethynyl Corannulenes: Synthesis, Structure, and Properties","Journal of the American Chemical Society","2008","130","","10729","10739","10.1021/ja802334n","","","0.71073","MoKα","","0.0523","0.0354","","","0.0693","0.0749","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108233","15.679","0.0014","9.331","0.0008","41.624","0.004","90","","90","","90","","6089.6","1","183","2","183","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C312 H264 N24 O24 -","12","3","","Manoj Mathews; Nobuyuki Tamaoki","Planar Chiral Azobenzenophanes as Chiroptic Switches for Photon Mode Reversible Reflection Color Control in Induced Chiral Nematic Liquid Crystals","Journal of the American Chemical Society","2008","130","","11409","11416","10.1021/ja802472t","","","0.71073","MoKα","","0.0522","0.0416","","","0.1064","0.1153","","","","","","1.023","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108305","13.1286","0.0004","10.2028","0.0003","15.7311","0.0004","90","","90","","90","","2107.16","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H8 B11 Cl11 O3 -","- C H8 B11 Cl11 O3 -","- C4 H32 B44 Cl44 O12 -","4","1","","Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed","The Nature of the Hydrated Proton H(aq)+ in Organic Solvents","Journal of the American Chemical Society","2008","130","","12128","12138","10.1021/ja803535s","","","0.71073","MoKα","","0.019","0.0175","","","0.0434","0.0442","","","","","","1.054","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108333","13.7783","0.0012","19.5301","0.0017","9.3512","0.0008","90","","90","","90","","2516.3","0.4","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","jonll27","","","- C29 H29 Cl N O4 Rh -","- C29 H29 Cl N O4 Rh -","- C116 H116 Cl4 N4 O16 Rh4 -","4","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","","0.0354","0.0275","","","0.0573","0.0604","","","","","","1.026","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108538","16.101","0.0004","13.7952","0.0004","9.9077","0.0003","90","","90","","90","","2200.66","0.11","110","","110","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C17 H30 B Cl F4 Fe N4 S -","- C17 H30 B Cl F4 Fe N4 S -","- C68 H120 B4 Cl4 F16 Fe4 N16 S4 -","4","1","","Frances Namuswe; Gary D. Kasper; Amy A. Narducci Sarjeant; Takahiro Hayashi; Courtney M. Krest; Michael T. Green; Pierre Moënne-Loccoz; David P. Goldberg","Rational Tuning of the Thiolate Donor in Model Complexes of Superoxide Reductase: Direct Evidence for a trans Influence in FeIII-OOR Complexes","Journal of the American Chemical Society","2008","130","","14189","14200","10.1021/ja8031828","","","0.71073","MoKα","","0.103","0.0719","","","0.1961","0.2412","","","","","","1.071","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108539","15.7595","0.0004","14.3395","0.0003","10.0194","0.0003","90","","90","","90","","2264.22","0.1","","","110","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C18 H33 B F4 Fe N4 O S -","- C18 H33 B F4 Fe N4 O S -","- C72 H132 B4 F16 Fe4 N16 O4 S4 -","4","1","","Frances Namuswe; Gary D. Kasper; Amy A. Narducci Sarjeant; Takahiro Hayashi; Courtney M. Krest; Michael T. Green; Pierre Moënne-Loccoz; David P. Goldberg","Rational Tuning of the Thiolate Donor in Model Complexes of Superoxide Reductase: Direct Evidence for a trans Influence in FeIII-OOR Complexes","Journal of the American Chemical Society","2008","130","","14189","14200","10.1021/ja8031828","","","0.71073","MoKα","","0.1129","0.0947","","","0.229","0.2428","","","","","","1.076","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108541","16.0267","0.0003","13.6455","0.0003","10.1189","0.0002","90","","90","","90","","2212.93","0.08","","","110","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C17 H30 B F4 Fe N5 O2 S -","- C17 H30 B F4 Fe N5 O2 S -","- C68 H120 B4 F16 Fe4 N20 O8 S4 -","4","1","","Frances Namuswe; Gary D. Kasper; Amy A. Narducci Sarjeant; Takahiro Hayashi; Courtney M. Krest; Michael T. Green; Pierre Moënne-Loccoz; David P. Goldberg","Rational Tuning of the Thiolate Donor in Model Complexes of Superoxide Reductase: Direct Evidence for a trans Influence in FeIII-OOR Complexes","Journal of the American Chemical Society","2008","130","","14189","14200","10.1021/ja8031828","","","0.71073","MoKα","","0.1115","0.0831","","","0.2256","0.2648","","","","","","1.08","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108702","24.7994","0.0002","14.5822","0.0001","26.8752","0.0003","90","","90","","90","","9718.87","0.15","153.2","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C65 H129 Al2 N7 O38 Si W10 -","- C65 Al2 N7 O38 Si W10 -","- C260 Al8 N28 O152 Si4 W40 -","4","1","","Yuji Kikukawa; Syuhei Yamaguchi; Yoshinao Nakagawa; Kazuhiro Uehara; Sayaka Uchida; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis of a Dialuminum-Substituted Silicotungstate and the Diastereoselective Cyclization of Citronellal Derivatives","Journal of the American Chemical Society","2008","130","","15872","15878","10.1021/ja8014154","","","0.71069","MoKα","","","0.0695","","","","0.1963","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108764","16.276","0.0012","9.3991","0.0007","22.3078","0.0016","90","","90","","90","","3412.6","0.4","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H46 Ir P S Si -","- C37 H46 Ir P S Si -","- C148 H184 Ir4 P4 S4 Si4 -","4","1","","Kevin D. Hesp; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","New Cationic and Zwitterionic Cp*M(κ2-P,S) Complexes (M = Rh, Ir): Divergent Reactivity Pathways Arising from Alternative Modes of Ancillary Ligand Participation in Substrate Activation","Journal of the American Chemical Society","2008","130","","16394","16406","10.1021/ja8062277","","","0.71073","MoKα","","0.0315","0.0274","","","0.0639","0.0657","","","","","","1.028","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108804","9.4977","0.001","30.723","0.004","9.5901","0.0011","90","","90","","90","","2798.4","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H40 Ir N3 P2 -","- C26 H40 Ir N3 P2 -","- C104 H160 Ir4 N12 P8 -","4","1","","Matthew T. Whited; Robert H. Grubbs","A Catalytic Cycle for Oxidation of tert-Butyl Methyl Ether by a Double C-H Activation-Group Transfer Process","Journal of the American Chemical Society","2008","130","","16476","16477","10.1021/ja8071385","","","0.71073","MoKα","","0.0861","0.0383","","","0.0512","0.0575","","","","","","1.065","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108828","12.0885","0.0005","11.7834","0.0005","10.4501","0.0006","90","","90","","90","","1488.55","0.12","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H15 B N2 -","- C5 H15 B N2 -","- C40 H120 B8 N16 -","8","2","","Dominik Wechsler; Yi Cui; Darrell Dean; Boyd Davis; Philip G. Jessop","Production of H2 from Combined Endothermic and Exothermic Hydrogen Carriers","Journal of the American Chemical Society","2008","130","","17195","17203","10.1021/ja806721s","","","0.71073","MoKα","","0.0345","0.0312","","","0.0781","0.0806","","","","","","1.065","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108914","10.1637","0.0006","15.6505","0.0008","15.0116","0.0009","90","","90","","90","","2387.8","0.2","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","peptide","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","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","","0.0427","0.0354","","","0.0821","0.0863","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109022","36.164","0.004","12.5747","0.0014","13.9696","0.0015","90","","90","","90","","6352.7","1.2","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C65 H92 B Cl4 N3 P2 Pd -","- C65 H92 B Cl4 N3 P2 Pd -","- C260 H368 B4 Cl16 N12 P8 Pd4 -","4","1","","Joan Vignolle; Heinz Gornitzka; Laurent Maron; Wolfgang W. Schoeller; Didier Bourissou; Guy Bertrand","Transient Palladadiphosphanylcarbenes: Singlet Carbenes with an ""Inverse"" Electronic Configuration (pπ2 instead of σ2) and Unusual Transannular Metal-Carbene Interactions (πC\ρightarrowPd Donation and σPd\ρightarrowC Back-donation)","Journal of the American Chemical Society","2007","129","","978","985","10.1021/ja066738j","","","0.71073","MoKα","","0.0622","0.0516","","","0.1024","0.1062","","","","","","1.073","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109183","19.0626","0.0003","8.4908","0.0001","16.3786","0.0003","90","","90","","90","","2650.99","0.07","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H27 F6 N6 O3 Os P -","- C23 H27 F6 N6 O3 Os P -","- C92 H108 F24 N24 O12 Os4 P4 -","4","1","","Anna F. A. Peacock; Simon Parsons; Peter J. Sadler","Tuning the Hydrolytic Aqueous Chemistry of Osmium Arene Complexes with N,O-Chelating Ligands to Achieve Cancer Cell Cytotoxicity","Journal of the American Chemical Society","2007","129","","3348","3357","10.1021/ja068335p","","","0.71073","MoKα","","0.0433","0.0334","","0.0805","0.0779","0.0805","","","","","","0.7572","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109853","25.3","0.019","3.799","0.003","21.166","0.016","90","","90","","90","","2034","3","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","TTFIm-HCA","","","- C15 H10 Cl2 N2 O5 S4 -","- C15 H8 Cl2 N2 O5 S4 -","- C60 H32 Cl8 N8 O20 S16 -","4","1","","Tsuyoshi Murata; Yasushi Morita; Yumi Yakiyama; Kozo Fukui; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bond Interaction in Organic Conductors: Redox Activation, Molecular Recognition, Structural Regulation, and Proton Transfer in Donor-Acceptor Charge-Transfer Complexes of TTF-Imidazole","Journal of the American Chemical Society","2007","129","","10837","10846","10.1021/ja072607m","","","0.7107","MoKα","","0.1128","0.0721","","","0.1771","0.2207","","","","","","0.99","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109949","13.8869","0.0004","8.9296","0.0004","26.3746","0.0008","90","","90","","90","","3270.6","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H52 O3 Si4 W -","- C27 H52 O3 Si4 W -","- C108 H208 O12 Si16 W4 -","4","1","","Takahito Watanabe; Hisako Hashimoto; Hiromi Tobita","Reactions of Hydrido(hydrosilylene)tungsten Complexes with α,β-Unsaturated Carbonyl Compounds: Selective Formation of (η3-Siloxyallyl)tungsten Complexes","Journal of the American Chemical Society","2007","129","","11338","11339","10.1021/ja074629e","","","0.71073","MoKα","","0.0374","0.0313","","","0.0781","0.0851","","","","","","1.286","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4110002","16.743","0.009","14.723","0.008","14.352","0.008","90","","90","","90","","3538","3","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H30 Cu F6 N4 O9 S2 -","- C26 H30 Cu F6 N4 O9 S2 -","- C104 H120 Cu4 F24 N16 O36 S8 -","4","1","","Atsushi Kondo; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Hiroshi Kajiro; Tomonori Ohba; Hirofumi Kanoh; Katsumi Kaneko","Double-Step Gas Sorption of a Two-Dimensional Metal-Organic Framework","Journal of the American Chemical Society","2007","129","","12362","12363","10.1021/ja073568h","","","0.71073","MoKα","","0.0661","0.0579","","0.1727","0.1652","","","","1.058","","","","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110094","15.842","0.002","10.1071","0.0014","14.466","0.002","90","","90","","90","","2316.2","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H28 Cu P -","- C27 H28 Cu P -","- C108 H112 Cu4 P4 -","4","1","","Joel A. Tang; Bobby D. Ellis; Timothy H. Warren; John V. Hanna; Charles L. B. Macdonald; Robert W. Schurko","Solid-State 63Cu and 65Cu NMR Spectroscopy of Inorganic and Organometallic Copper(I) Complexes","Journal of the American Chemical Society","2007","129","","13049","13065","10.1021/ja073238x","","","0.71073","MoKα","","0.0827","0.0696","","","0.1257","0.1333","","","","","","1.206","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110148","11.8653","0.0011","5.8826","0.0006","8.1258","0.0008","90","","90","","90","","567.17","0.1","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F5 K Na Nb O -","- F5 K Na Nb O -","- F20 K4 Na4 Nb4 O4 -","4","1","","Michael R. Marvel; Julien Lesage; Jaewook Baek; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier","Cation-Anion Interactions and Polar Structures in the Solid State","Journal of the American Chemical Society","2007","129","","13963","13969","10.1021/ja074659h","","","0.71073","MoKα","","0.0433","0.0419","","","0.1127","0.1132","","","","","","1.257","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110161","17.9874","0.0004","25.3631","0.0005","32.8163","0.0005","90","","90","","90","","14971.3","0.5","100","2","0","","","","","","","","","6","P n a 21","P 2c -2n","33","","dodecakis(μ~3~-Oxo)-hexadecakis(μ~2~-neopentanoato)-tetra-ethanol-tetra- manganese(iv)-octa-manganese(iii) chloroform solvate","","- C123.72 H82.4 Cl13.03 F16 Mn12 O48 -","- C123.725 H82.395 Cl13.028 F16 Mn12 O48 -","- C494.9 H329.58 Cl52.112 F64 Mn48 O192 -","4","1","","Michael Burgert; Sönke Voss; Simon Herr; Mikhail Fonin; Ulrich Groth; Ulrich Rüdiger","Single-Molecule Magnets: A New Approach To Investigate the Electronic Structure of Mn12 Molecules by Scanning Tunneling Spectroscopy","Journal of the American Chemical Society","2007","129","","14362","14366","10.1021/ja074884z","","","0.71073","MoKα","","0.1187","0.058","","","0.1174","0.1354","","","","","","0.815","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110219","21.0695","0.0019","12.6553","0.0012","7.4141","0.0007","90","","90","","90","","1976.9","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C16 H20 Br N5 O3 S -","- C16 H20 Br N5 O3 S -","- C64 H80 Br4 N20 O12 S4 -","4","1","","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","","0.0341","0.0291","","","0.0727","0.0742","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110222","18.3983","0.001","22.8237","0.0012","7.7169","0.0004","90","","90","","90","","3240.5","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C24 H34 Cl2 N6 O6 S2 -","- C24 H34 Cl2 N6 O6 S2 -","- C96 H136 Cl8 N24 O24 S8 -","4","1","","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","","0.067","0.0498","","","0.0963","0.1022","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110224","32.565","0.014","7.455","0.003","12.308","0.005","90","","90","","90","","2988","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C24 H34 F2 N6 O6 S2 -","- C24 H34 F2 N6 O6 S2 -","- C96 H136 F8 N24 O24 S8 -","4","1","","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","","0.1689","0.1262","","","0.3038","0.3309","","","","","","1.085","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110229","21.335","0.0012","12.5958","0.0007","7.442","0.0004","90","","90","","90","","1999.9","0.19","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C16 H20 I N5 O3 S -","- C16 H20 I N5 O3 S -","- C64 H80 I4 N20 O12 S4 -","4","1","","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","","0.0216","0.0196","","","0.049","0.0497","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110235","18.757","0.003","23.471","0.004","7.4865","0.0012","90","","90","","90","","3295.9","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","guanidinium sulfonate clathrate","","","- C26 H40 N6 O6 S2 -","- C26 H40 N6 O6 S2 -","- C104 H160 N24 O24 S8 -","4","1","","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","","0.0936","0.0618","","","0.128","0.1389","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110242","30.7027","","15.4502","0.0009","10.8585","0.0006","90","","90","","90","","5150.9","0.4","143.2","","","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C51 H48 Cl4 I O2 P2 Re Si -","- C51 Cl4 I O2 P2 Re Si -","- C204 Cl16 I4 O8 P8 Re4 Si4 -","4","1","","Kristine A. Nolin; Jennifer R. Krumper; Michael D. Pluth; Robert G. Bergman; F. Dean Toste","Analysis of an Unprecedented Mechanism for the Catalytic Hydrosilylation of Carbonyl Compounds","Journal of the American Chemical Society","2007","129","","14684","14696","10.1021/ja074477n","","","0.7107","MoKα","","","0.0403","","","","0.0447","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110314","15.8356","0.0008","15.1379","0.0008","26.5935","0.0014","90","","90","","90","","6374.9","0.6","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","Compound 6","","","- C74 H92 O2 Sn2 -","- C74 H92 O2 Sn2 -","- C296 H368 O8 Sn8 -","4","1","","Eric Rivard; Roland C. Fischer; Robert Wolf; Yang Peng; W. Alexander Merrill; Nathan D. Schley; Zhongliang Zhu; Lihung Pu; James C. Fettinger; Simon J. Teat; Isreal Nowik; Rolfe H. Herber; Nozomi Takagi; Shigeru Nagase; Philip P. Power","Isomeric Forms of Heavier Main Group Hydrides: Experimental and Theoretical Studies of the [Sn(Ar)H]2 (Ar = Terphenyl) System","Journal of the American Chemical Society","2007","129","","16197","16208","10.1021/ja076453m","","","0.71073","MoKα","","0.0519","0.0425","","","0.1012","0.1058","","","","","","1.068","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110582","17.0427","0.0011","12.4563","0.0008","39.721","0.003","90","","90","","90","","8432.3","1","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H57 N7 Ru Si -","- C43 H57 N7 Ru Si -","- C344 H456 N56 Ru8 Si8 -","8","2","","Hyojong Yoo; Patrick J. Carroll; Donald H. Berry","Synthesis and Structure of Ruthenium-Silylene Complexes: Activation of Si-Cl Bonds in N-Heterocyclic Silanes","Journal of the American Chemical Society","2006","128","","6038","6039","10.1021/ja0580744","","","0.71069","MoKα","","0.0921","0.0605","","","0.1498","0.2182","","","","","","1.006","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110866","18.9367","0.0011","11.9364","0.0005","6.8799","0.0004","90","","90","","90","","1555.11","0.14","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H11 O5 P W -","- C14 H11 O5 P W -","- C56 H44 O20 P4 W4 -","4","1","","Rosa E. Bulo; Florian Allaart; Andreas W. Ehlers; Franciscus J. J. de Kanter; Marius Schakel; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Circumambulatory Rearrangement with Characteristics of a 2:1 Covalent Molecular Bevel Gear","Journal of the American Chemical Society","2006","128","","12169","12173","10.1021/ja0627895","","","0.71073","MoKα","","0.0221","0.0148","","","0.0252","0.0269","","","","","","1.065","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110883","21.1602","0.0003","19.9577","0.0003","10.9419","0.0002","90","","90","","90","","4620.86","0.13","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H74 Cl3 N4 P -","- C45 H74 Cl3 N4 P -","- C180 H296 Cl12 N16 P4 -","4","1","","Jonathan L. Sessler; Dustin E. Gross; Won-Seob Cho; Vincent M. Lynch; Franz P. Schmidtchen; Gareth W. Bates; Mark E. Light; Philip A. Gale","Calix[4]pyrrole as a Chloride Anion Receptor: Solvent and Countercation Effects","Journal of the American Chemical Society","2006","128","","12281","12288","10.1021/ja064012h","","","0.71073","MoKα","","0.0595","0.0453","","","0.1027","0.1104","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111205","16.2805","0.0014","11.5155","0.001","14.393","0.0013","90","","90","","90","","2698.4","0.4","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H22 B6 Fe Ir O5 P -","- C24 H22 B6 Fe Ir O5 P -","- C96 H88 B24 Fe4 Ir4 O20 P4 -","4","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","","0.0736","0.0434","","","0.0623","0.0709","","","","","","0.942","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111356","17.749","0.002","10.2043","0.0014","14.494","0.002","90","","90","","90","","2625.1","0.6","198","1","198","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 Cl8 Ga2 P2 -","- C12 H30 Cl8 Ga2 P2 -","- C48 H120 Cl32 Ga8 P8 -","4","1","","Jan J. Weigand; Susanne D. Riegel; Neil Burford; Andreas Decken","Prototypical Phosphorus Analogues of Ethane: General and Versatile Synthetic Approaches to Hexaalkylated P-P Diphosphonium Cations","Journal of the American Chemical Society","2007","129","","7969","7976","10.1021/ja071306+","","x-ray","0.71073","MoKα","","0.0658","0.0376","","","0.0762","0.0819","","","","","","0.99","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111390","10.6133","0.0008","11.0274","0.0009","29.423","0.002","90","","90","","90","","3443.6","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","2","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0568","0.0421","","","0.111","0.13","","","","","","0.712","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111391","8.0072","0.001","21.705","0.003","6.8803","0.0009","90","","90","","90","","1195.8","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0736","0.0559","","","0.1752","0.2123","","","","","","0.854","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111394","7.1219","0.0007","20.2661","0.0019","22.218","0.002","90","","90","","90","","3206.8","0.5","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H26 N4 Zn -","- C48 H26 N4 Zn -","- C192 H104 N16 Zn4 -","4","1","","Mahendra Nath; Maren Pink; Jeffrey M. Zaleski","Controlling Both Ground- and Excited-State Thermal Barriers to Bergman Cyclization with Alkyne Termini Substitution","Journal of the American Chemical Society","2005","127","","478","479","10.1021/ja045979t","","","0.71073","MoKα","","0.0502","0.0366","","","0.0827","0.0888","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111473","17.952","0.002","16.829","0.002","17.932","0.002","90","","90","","90","","5417.5","1.1","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","040038","","","- C22 H39 F3 Fe N4 O4 S2 -","- C21.9985 H39 F3 Fe N4 O4 S1.9985 -","- C175.988 H312 F24 Fe8 N32 O32 S15.988 -","8","2","","Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold","Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases","Journal of the American Chemical Society","2005","127","","1675","1689","10.1021/ja046939s","","","0.71073","MoKα","","0.0767","0.0543","","","0.1165","0.1276","","","","","","1.006","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111552","23.5289","0.0014","8.3396","0.0004","13.4889","0.0007","90","","90","","90","","2646.8","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H42 B2 Ru2 -","- C28 H41 B2 Ru2 -","- C112 H164 B8 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0604","0.0497","","","0.1123","0.1172","","","","","","1.037","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111555","38.6467","0.0005","13.3927","0.0002","12.5144","0.0001","90","","90","","90","","6477.25","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H48 B2 Ru2 -","- C36 H48 B2 Ru2 -","- C288 H384 B16 Ru16 -","8","2","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0281","0.0241","","","0.0528","0.0536","","","","","","1.048","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111652","13.085","0.001","7.901","0.0006","15.038","0.001","90","","90","","90","","1554.7","0.2","126.2","","126.2","","","","","","","","","3","P n a 21","P 2c -2n","33","Sterekunthal B","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Jeremiah P. Malerich; Thomas J. Maimone; Gregory I. Elliott; Dirk Trauner","Biomimetic Synthesis of Antimalarial Naphthoquinones","Journal of the American Chemical Society","2005","127","","6276","6283","10.1021/ja050092y","","","0.7107","MoKα","","0.0553","0.0458","","0.0573","0.0552","0.0552","","","","","","1.651","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111728","17.6272","0.001","11.2434","0.0006","13.457","0.0007","90","","90","","90","","2667","0.2","243","2","243","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 P2 Ru -","- C32 H32 P2 Ru -","- C128 H128 P8 Ru4 -","4","1","","Hairong Guan; Masanori Iimura; Matthew P. Magee; Jack R. Norton; Guang Zhu","Ruthenium-Catalyzed Ionic Hydrogenation of Iminium Cations. Scope and Mechanism","Journal of the American Chemical Society","2005","127","","7805","7814","10.1021/ja0506861","","","0.71073","MoKα","","0.0232","0.0217","","","0.0555","0.0563","","","","","","1.053","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111736","19.777","0.004","10.4","0.002","35.503","0.007","90","","90","","90","","7302","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H56 Li2 N2 O2 Si2 -","- C34 H56 Li2 N2 O2 Si2 -","- C272 H448 Li16 N16 O16 Si16 -","8","2","","Carsten Strohmann; Daniel Schildbach; Dominik Auer","Selective Si-C Bond Cleavage as Synthetic Entry to a Functionalized Lithiosilane","Journal of the American Chemical Society","2005","127","","7968","7969","10.1021/ja050360s","","","0.71073","MoKα","","0.1163","0.0801","","","0.1663","0.1829","","","","","","1.02","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111895","16.3425","0.0011","45.579","0.003","21.2946","0.0014","90","","90","","90","","15861.8","1.8","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","digermane","","","- C60 H78 Ge2 -","- C60 H78 Ge2 -","- C720 H936 Ge24 -","12","3","","Geoffrey H. Spikes; James C. Fettinger; Philip P. Power","Facile Activation of Dihydrogen by an Unsaturated Heavier Main Group Compound","Journal of the American Chemical Society","2005","127","","12232","12233","10.1021/ja053247a","","","0.71073","MoKα","","0.0714","0.0622","","","0.1462","0.1501","","","","","","1.097","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111901","13.363","0.003","24.152","0.005","8.2202","0.0016","90","","90","","90","","2653","1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H35 F3 Fe N6 O3 S2 -","- C18 H35 F3 Fe N6 O3 S2 -","- C72 H140 F12 Fe4 N24 O12 S8 -","4","1","","Chivukula V. Sastri; Mi Joo Park; Takehiro Ohta; Timothy A. Jackson; Audria Stubna; Mi Sook Seo; Jimin Lee; Jinheung Kim; Teizo Kitagawa; Eckard Münck; Lawrence Que; Wonwoo Nam","Axial Ligand Substituted Nonheme FeIVO Complexes: Observation of Near-UV LMCT Bands and FeO Raman Vibrations","Journal of the American Chemical Society","2005","127","","12494","12495","10.1021/ja0540573","","","0.71073","MoKα","","0.0788","0.0526","","","0.1395","0.1538","","","","","","1.01","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4112037","22.4394","0.0006","8.6159","0.0004","12.873","0.0003","90","","90","","90","","2488.81","0.15","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H31 F6 O4 P Ru -","- C23 H31 F6 O4 P Ru -","- C92 H124 F24 O16 P4 Ru4 -","4","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","1.54178","CuKα","","0.0402","0.039","","","0.1064","0.1082","","","","","","1.074","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112061","12.516","0.0012","27.964","0.003","25.423","0.002","90","","90","","90","","8898","1.5","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","CB8 diammonium diodide hydrate","CB8 diammonium diodide hydrate","","- C65 H96.54 I2.41 N39 O30.56 -","- C65 H69 I2.4095 N39 O30.5613 -","- C260 H276 I9.638 N156 O122.245 -","4","1","","Simin Liu; Christian Ruspic; Pritam Mukhopadhyay; Sriparna Chakrabarti; Peter Y. Zavalij; Lyle Isaacs","The Cucurbit[n]uril Family: Prime Components for Self-Sorting Systems","Journal of the American Chemical Society","2005","127","","15959","15967","10.1021/ja055013x","","","0.71073","MoKα","","0.09","0.0638","","","0.138","0.1481","","","","","","1","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112094","20.743","0.004","12.008","0.002","27.095","0.005","90","","90","","90","","6749","2","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","[Dipp*Ge(PhNNPh)GeDipp*].n-hexane","","","- C78 H98 Ge2 N2 -","- C78 H98 Ge2 N2 -","- C312 H392 Ge8 N8 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","1.54178","CuKα","","0.0384","0.0328","","","0.075","0.0779","","","","","","1.026","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112099","27.231","0.0002","6.827","0.0003","16.97","0.0006","90","","90","","90","","3154.83","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Frédéric Liéby-Muller; Thierry Constantieux; Jean Rodriguez","Multicomponent Domino Reaction from β-Ketoamides: Highly Efficient Access to Original Polyfunctionalized 2,6-Diazabicyclo[2.2.2]octane Cores","Journal of the American Chemical Society","2005","127","","17176","17177","10.1021/ja055885z","","","0.71073","MoKα","","0.0599","0.0482","","","0.1398","0.1539","","","","","","1.011","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112318","18.7829","0.0019","11.0197","0.0011","11.4504","0.0011","90","","90","","90","","2370","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(Cu(2-pymo)2)2RbNO3(H2O)]n.nMeOH","","","- C17 H20 Cu2 N9 O10 Rb -","- C17 Cu2 N9 O9 Rb -","- C68 Cu8 N36 O36 Rb4 -","4","1","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.0813","0.0625","","","0.1778","0.1935","","","","","","1.077","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112361","19.318","0.004","8.282","0.002","10.045","0.001","90","","90","","90","","1607.1","0.5","294.2","","294.2","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H26 O -","- C21 H26 O -","- C84 H104 O4 -","4","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","","","1.5418","CuKα","","0.0474","0.0414","","0.0496","","0.0494","","","3.495","","","3.676","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112376","13.4316","0.0006","25.4173","0.0008","19.5229","0.0012","90","","90","","90","","6665","0.5","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C288 H288 N32 O32 -","16","4","","Jim-Min Fang; Srinivasan Selvi; Jen-Hai Liao; Zdenek Slanina; Chao-Tsen Chen; Pi-Tai Chou","Fluorescent and Circular Dichroic Detection of Monosaccharides by Molecular Sensors: Bis[(Pyrrolyl)ethynyl]naphthyridine and Bis[(Indolyl)ethynyl]naphthyridine","Journal of the American Chemical Society","2004","126","","3559","3566","10.1021/ja039237w","","","0.71073","MoKα","","0.24","0.1005","","","0.207","0.3049","","","","","","1.045","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112402","13.33","0.002","7.2301","0.0013","11.752","0.002","90","","90","","90","","1132.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0311","0.0307","","","0.0828","0.0835","","","","","","0.969","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112405","15.611","0.0008","9.5413","0.0004","10.5184","0.0004","90","","90","","90","","1566.71","0.12","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Hye-Young Jang; Ryan R. Huddleston; Michael J. Krische","Hydrogen-Mediated C-C Bond Formation: Catalytic Regio- and Stereoselective Reductive Condensation of α-Keto Aldehydes and 1,3-Enynes","Journal of the American Chemical Society","2004","126","","4664","4668","10.1021/ja0316566","","","0.71073","MoKα","","0.1551","0.0497","","","0.0805","0.1034","","","","","","0.993","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112480","12.2489","0.0005","19.8587","0.0008","16.457","0.0006","90","","90","","90","","4003.1","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H27 O17 P Pt Ru6 -","- C30 H27 O17 P Pt Ru6 -","- C120 H108 O68 P4 Pt4 Ru24 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0417","0.0351","","","0.059","0.0614","","","","","","1.035","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112636","18.634","0.005","29.357","0.017","16.142","0.003","90","","90","","90","","8830","6","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","Cr3(dpa)4Cl2, benzene","","","- C46 H38 Cl2 Cr3 N12 -","- C46 H38 Cl2 Cr3 N12 -","- C368 H304 Cl16 Cr24 N96 -","8","2","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0707","0.054","","","0.1203","0.1333","","","","","","1.14","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112847","8.872","0.0002","16.58","0.003","15.119","0.003","90","","90","","90","","2224","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","[4-(2'-pyridyl)-1,2,3,5-DTA]Co(hfac)2","[4-(2'-pyridine)-1,2,3,5-dithiadiazolyl]Co(hexaflouroacetate)2","","- C16 H6 Co F12 N3 O4 S2 -","- C16 H6 Co F12 N3 O4 S2 -","- C64 H24 Co4 F48 N12 O16 S8 -","4","1","","Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon","Design and Synthesis of a 4-(2'-Pyridyl)-1,2,3,5-Dithiadiazolyl Cobalt Complex","Journal of the American Chemical Society","2004","126","","9942","9943","10.1021/ja046304t","","","0.71073","MoKα","","0.0916","0.0522","","","0.1078","0.1201","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112898","35.135","0.003","12.723","0.0011","13.4387","0.0012","90","","90","","90","","6007.4","0.9","373","2","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H65 B F24 Ni P2 -","- C60 H65 B F24 Ni P2 -","- C240 H260 B4 F96 Ni4 P8 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0637","0.0579","","","0.1283","0.1317","","","","","","1.064","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112973","28.9132","0.0007","7.8898","0.0002","9.5349","0.0002","90","","90","","90","","2175.1","0.09","100","","100","","","","","","","","see paper","4","P n a 21","P 2c -2n","33","","","","- C28 H31 Nd O -","- C28 H31 Nd O -","- C112 H124 Nd4 O4 -","4","1","","Evgueni Kirillov; Christian W. Lehmann; Abbas Razavi; Jean-François Carpentier","Highly Syndiospecific Polymerization of Styrene Catalyzed by Allyl Lanthanide Complexes","Journal of the American Chemical Society","2004","126","","12240","12241","10.1021/ja0455695","","","0.71073","MoKα","","0.0779","0.0503","","","0.1074","0.1362","","","","","","1.144","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113008","10.3733","0.0011","26.427","0.003","5.8341","0.0006","90","","90","","90","","1599.3","0.3","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.1056","0.0442","","","0.0732","0.0856","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113319","18.606","0.003","12.069","0.0018","5.5511","0.0008","90","","90","","90","","1246.5","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","EDOT-CNV-Th","","","- C13 H9 N O2 S2 -","- C13 H9 N O2 S2 -","- C52 H36 N4 O8 S8 -","4","1","","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","","0.0417","0.0314","","","0.0692","0.0731","","","","","","1.057","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113383","21.184","0.003","6.824","0.001","5.892","0.002","90","","90","","90","","851.7","0.3","293","2","293","2","","","","","First dipole-induced polymorph","","","3","P n a 21","P 2c -2n","33","trans (1R*,2R*)-2-hydroxy-1-cycloheptanecarboxylic acid form A","","","- C8 H14 O3 -","- C8 H14 O3 -","- C32 H56 O12 -","4","1","","Alajos Kálmán; László Fábián; Gyula Argay; Gábor Bernáth; Zsuzsanna Gyarmati","Dipole-Induced Polymorphs of trans-2-Hydroxycycloheptanecarboxylic Acid with Virtually the Same Unit Cell","Journal of the American Chemical Society","2003","125","","34","35","10.1021/ja0289447","","","1.54184","CUkα","","0.115","0.1112","","","0.2984","0.3028","","","","","","2.072","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113496","20.2487","0.001","12.4492","0.0006","22.9565","0.0012","90","","90","","90","","5786.9","0.5","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Potassium tetrakis(N,N'-diphenylformamidinate)divanadate(I,II)","","- C64 H68 K N8 O3 V2 -","- C64 H68 K N8 O3 V2 -","- C256 H272 K4 N32 O12 V8 -","4","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo","A Highly Reduced V23+ Unit with a Metal-Metal Bond Order of 3.5","Journal of the American Chemical Society","2003","125","","2026","2027","10.1021/ja029792i","","","0.71073","MoKα","","0.0809","0.0456","","","0.0814","0.0948","","","","","","1.022","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113576","27.6","0.006","17.262","0.004","14.701","0.003","90","","90","","90","","7004","3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H76 N6 P2 Si5 Ta2 -","- C52 H71 N6 P2 Si5 Ta2 -","- C208 H284 N24 P8 Si20 Ta8 -","4","1","","Michael D. Fryzuk; Bruce A. MacKay; Brian O. Patrick","Hydrosilylation of a Dinuclear Tantalum Dinitrogen Complex: Cleavage of N2 and Functionalization of Both Nitrogen Atoms","Journal of the American Chemical Society","2003","125","","3234","3235","10.1021/ja034303f","","","0.71069","MoKα","","0.0806","0.0566","","","0.1353","0.1462","","","","","","0.983","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113738","18.1392","0.0007","18.9515","0.0007","7.4377","0.0003","90","","90","","90","","2556.82","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H31 O5 Rb -","- C32 H31 O5 Rb -","- C128 H124 O20 Rb4 -","4","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","","0.0378","0.0318","","","0.0676","0.0691","","","","","","0.96","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113847","23.7028","0.0005","14.8984","0.0001","12.9654","0.0001","90","","90","","90","","4578.52","0.11","273.2","","","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C47 H47 Cl3 O P2 Ru S2 W -","- C47 H47 Cl3 O P2 Ru S2 W -","- C188 H188 Cl12 O4 P8 Ru4 S8 W4 -","4","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","","","0.0264","","","","0.0419","","","","","","2.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113975","18.029","0.0006","16.2315","0.0006","9.5547","0.0004","90","","90","","90","","2796.07","0.18","273.2","","273.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H43 P3 Ru Si2 -","- C21 P3 Ru Si2 -","- C84 P12 Ru4 Si8 -","4","1","","Vladimir K. Dioumaev; Bok R. Yoo; Leo J. Procopio; Patrick J. Carroll; Donald H. Berry","Structure and Reactivity of Bis(silyl) Dihydride Complexes (PMe3)3Ru(SiR3)2(H)2: Model Compounds and Real Intermediates in a Dehydrogenative C-Si Bond Forming Reaction","Journal of the American Chemical Society","2003","125","","8936","8948","10.1021/ja035916v","","","0.7107","MoKalpha","","","0.042","","","0.05","","","","","1.58","1.58","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113984","15.3076","0.0009","14.6049","0.0009","27.4736","0.0018","90","","90","","90","","6142.2","0.7","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H26 O2 -","- C17 O2 -","- C272 O32 -","16","4","","Huan Wang; Jie Huang; William D. Wulff; Arnold L. Rheingold","The First Examples of a Meta-Benzannulation from the Reaction of Fischer Carbene Complexes with Alkynes","Journal of the American Chemical Society","2003","125","","8980","8981","10.1021/ja035428n","","","0.71073","MoKα","","0.2128","0.1449","","","0.351","0.3742","","","","","","2.055","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113993","21.429","0.001","12.8667","0.0008","14.2909","0.0006","90","","90","","90","","3940.3","0.3","273.2","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H37 F3 O4 P2 Pd S -","- C41 H37 F3 O4 P2 Pd S -","- C164 H148 F12 O16 P8 Pd4 S4 -","4","1","","Sensuke Ogoshi; Masaki Morita; Hideo Kurosawa","Synthesis, Structure, and Reactivity of a η3-1-Hydroxyallyl Complex: Protonation of an α,β-Unsaturated Carbonyl Compound Bound to Palladium(0) and Platinum(0)","Journal of the American Chemical Society","2003","125","","9020","9021","10.1021/ja0361042","","","0.7107","MoKα","","","0.0786","","","","0.1261","","","","","","3.345","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113995","14.6533","0.0002","11.7535","0.0002","15.4973","0.0001","90","","90","","90","","2669.06","0.06","161","2","161","2","","","","","","","","4","P n a 21","P 2c -2n","33","(dppe)PtMe4","(dppe)PtMe4","","- C30 H36 P2 Pt -","- C30 H36 P2 Pt -","- C120 H144 P8 Pt4 -","4","1","","Dawn M. Crumpton-Bregel; Karen I. Goldberg","Mechanisms of C-C and C-H Alkane Reductive Eliminations from Octahedral Pt(IV): Reaction via Five-Coordinate Intermediates or Direct Elimination?","Journal of the American Chemical Society","2003","125","","9442","9456","10.1021/ja029140u","","","0.7107","MoKα","","0.0317","0.0302","","","0.0912","0.0949","","","","","","1.028","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4114005","7.7831","0.0002","19.9186","0.0003","10.9654","0.0007","90","","90","","90","","1699.95","0.12","150","1","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 B3 N3 -","- C18 H18 B3 N3 -","- C72 H72 B12 N12 -","4","1","","Cory A. Jaska; Karen Temple; Alan J. Lough; Ian Manners","Transition Metal-Catalyzed Formation of Boron-Nitrogen Bonds: Catalytic Dehydrocoupling of Amine-Borane Adducts to Form Aminoboranes and Borazines","Journal of the American Chemical Society","2003","125","","9424","9434","10.1021/ja030160l","","","0.71073","MoKα","","0.0318","0.0291","","","0.0702","0.0719","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114121","27.6648","0.0005","6.4448","0.0001","10.6563","0.0002","90","","90","","90","","1899.96","0.06","200","2","200","2","","","","","","","chemical synthesis","5","P n a 21","P 2c -2n","33","","2-(tert-Butyldimethylsilanyloxymethyl)-4-(2,2-dichlorovinyl)- 6-oxabicyclo[3.2.1]octan-7-one","","- C16 H26 Cl2 O3 Si -","- C16 H26 Cl2 O3 Si -","- C64 H104 Cl8 O12 Si4 -","4","1","","M. F. Semmelhack; Lingyun Wu; Robert A. Pascal; Douglas M. Ho","Conformational Control in Activation of an Enediyne","Journal of the American Chemical Society","2003","125","","10496","10497","10.1021/ja036763e","","","0.71073","MoKα","","0.0621","0.0439","","0.117","0.1055","","","","1.044","1.044","1.044","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114139","7.306","0.0015","16.133","0.003","7.094","0.0014","90","","90","","90","","836.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","beta-et-1","","","- C2 H4 Al Cl4 Cu -","- C2 H4 Al Cl4 Cu -","- C8 H16 Al4 Cl16 Cu4 -","4","1","","Roger M. Sullivan; Haiming Liu; D. Steve Smith; Jonathan C. Hanson; Derek Osterhout; Michael Ciraolo; Clare P. Grey; James D. Martin","Sorptive Reconstruction of the CuAlCl4 Framework upon Reversible Ethylene Binding","Journal of the American Chemical Society","2003","125","","11065","11079","10.1021/ja036172o","","","0.9376","","","0.0376","0.0375","","0.1421","0.1414","","","","1.486","1.482","1.482","","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114266","10.9417","0.0008","10.7162","0.0008","11.6477","0.0009","90","","90","","90","","1365.73","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","03081vv","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Hui Xiong; Jian Huang; Sunil K. Ghosh; Richard P. Hsung","Stereoselective Intramolecular [4 + 3] Cycloadditions of Nitrogen-Stabilized Chiral Oxyallyl Cations via Epoxidation of N-Tethered Allenamides","Journal of the American Chemical Society","2003","125","","12694","12695","10.1021/ja030416n","","","0.71073","MoKα","","0.034","0.0327","","","0.0873","0.0888","","","","","","1.041","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114278","33.341","0.006","14.642","0.003","21.305","0.004","90","","90","","90","","10401","3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","(n-Bu4N)[Fe(Tripyrrole)(Cl)].1.5Cyclohexane 0.5H2O","","","- C52 H87 Cl Fe N4 O3.5 -","- C52 H86 Cl Fe N4 O3.495 -","- C416 H688 Cl8 Fe8 N32 O27.96 -","8","2","","Sankar Prasad Rath; Marilyn M. Olmstead; Lechoslaw Latos-Grażyński; Alan L. Balch","Formation and Isolation of an Iron-Tripyrrole Complex from Heme Degradation","Journal of the American Chemical Society","2003","125","","12678","12679","10.1021/ja036656k","","","0.71073","MoKα","","0.1609","0.1105","","","0.2769","0.3049","","","","","","1.055","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114283","22.81","0.003","7.5762","0.0012","8.8993","0.0014","90","","90","","90","","1537.9","0.4","293","2","173","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C0 F8 Fe2 N6 O8 P2 -","- F8 Fe2 N6 O8 P2 -","- F32 Fe8 N24 O32 P8 -","4","1","","Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins","Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes","Journal of the American Chemical Society","2003","125","","12935","12944","10.1021/ja036887r","","","0.71069","MoKα","","0.0558","0.0487","","","0.109","0.1144","","","","","","1.127","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114352","23.584","0.004","24.664","0.004","12.91","0.002","90","","90","","90","","7509","2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(K-crypt)2[[Ph-(Ge9)-SbPh2].tol","","- C61 H95 Ge9 K2 N4 O12 Sb -","- C61 H95 Ge9 K2 N4 O12 Sb -","- C244 H380 Ge36 K8 N16 O48 Sb4 -","4","1","","Angel Ugrinov; Slavi C. Sevov","Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-","Journal of the American Chemical Society","2003","125","","14059","14064","10.1021/ja037007b","","","0.71073","MoKα","","0.0966","0.0646","","","0.1642","0.1859","","","","","","1.103","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114376","18.934","0.003","10.451","0.0016","15.711","0.002","90","","90","","90","","3108.9","0.8","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H43 F3 O3 P2 S -","- C31 H43 F3 O3 P2 S -","- C124 H172 F12 O12 P8 S4 -","4","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","","x-ray","0.71073","MoKα","","0.056","0.041","","","0.0798","0.085","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114649","7.7277","0.0006","10.2137","0.0008","7.3442","0.0006","90","","90","","90","","579.67","0.08","193","2","193","2","","","","","","","original synthesis","4","P n a 21","P 2c -2n","33","","","","- I Mo O6 Rb -","- I Mo O6 Rb -","- I4 Mo4 O24 Rb4 -","4","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","","0.0207","0.0194","","0.0421","0.0413","","","","0.946","0.947","0.947","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114650","7.8633","0.0005","10.392","0.0006","7.3869","0.0005","90","","90","","90","","603.62","0.07","193","2","193","2","","","","","","","original synthesis","4","P n a 21","P 2c -2n","33","","","","- Cs I Mo O6 -","- Cs I Mo O6 -","- Cs4 I4 Mo4 O24 -","4","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","","0.0214","0.0209","","0.0517","0.0515","","","","1.117","1.124","1.124","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114689","16.353","0.002","18.707","0.003","18.231","0.003","90","","90","","90","","5577.1","1.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","00348","","","- C40 H52 F12 Fe2 N8 O12 S4 -","- C40 H52 F12 Fe2 N8 O12 S4 -","- C160 H208 F48 Fe8 N32 O48 S16 -","4","1","","Kui Chen; Miquel Costas; Jinheung Kim; Adrianne K. Tipton; Lawrence Que","Olefin Cis-Dihydroxylation versus Epoxidation by Non-Heme Iron Catalysts: Two Faces of an FeIII-OOH Coin","Journal of the American Chemical Society","2002","124","","3026","3035","10.1021/ja0120025","","","0.71073","MoKα","","0.0755","0.0465","","","0.0857","0.0927","","","","","","0.974","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4114772","27.4425","0.0006","13.8076","0.0002","15.2781","0.0004","90","","90","","90","","5789.1","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H32 Cl2 Cr O5 -","- C30 H32 Cl2 Cr O5 -","- C240 H256 Cl16 Cr8 O40 -","8","2","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.0908","0.0598","","","0.1031","0.1131","","","","","","1.041","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114832","22.512","0.002","8.2258","0.0007","14.925","0.001","90","","90","","90","","2763.8","0.4","223.1","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H29 Cu F6 N2 P2 -","- C27 H29 Cu F6 N2 P2 -","- C108 H116 Cu4 F24 N8 P8 -","4","1","","Masayasu Taki; Shinichi Teramae; Shigenori Nagatomo; Yoshimitsu Tachi; Teizo Kitagawa; Shinobu Itoh; Shunichi Fukuzumi","Fine-Tuning of Copper(I)-Dioxygen Reactivity by 2-(2-Pyridyl)ethylamine Bidentate Ligands","Journal of the American Chemical Society","2002","124","","6367","6377","10.1021/ja026047x","","","0.7107","MoKα","","","0.043","","","","0.034","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114892","18.4873","0.001","10.9402","0.0007","20.2958","0.001","90","","90","","90","","4104.9","0.4","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","germabenzene","","","- C32 H64 Ge Si6 -","- C32 H64 Ge Si6 -","- C128 H256 Ge4 Si24 -","4","1","","Norio Nakata; Nobuhiro Takeda; Norihiro Tokitoh","Synthesis and Properties of the First Stable Germabenzene","Journal of the American Chemical Society","2002","124","","6914","6920","10.1021/ja0262941","","","0.7107","MoKα","","0.0236","0.0224","","","0.0556","0.0561","","","","","","1.092","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114938","24.1553","0.0015","17.016","0.0012","26.221","0.002","90","","90","","90","","10777.5","1.3","200","2","200","2","","","","","","","chemical synthesis","2","P n a 21","P 2c -2n","33","","1,2,3,4,5,6,7,8,13,14,15,16-Dodecaphenyltriptycene Benzene Clathrate","","- C146 H116 -","- C146 H116 -","- C584 H464 -","4","1","","Jun Lu; Jiajia Zhang; Xianfeng Shen; Douglas M. Ho; Robert A. Pascal","Octaphenylbiphenylene and Dodecaphenyltriptycene","Journal of the American Chemical Society","2002","124","","8035","8041","10.1021/ja0203723","","","0.71073","MoKα","","0.0993","0.0602","","0.139","0.1182","","","","1.058","1.114","1.114","","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114948","15.8295","0.0006","12.521","0.0004","19.466","0.001","90","","90","","90","","3858.2","0.3","198.2","","198.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H48 N2 Nb P2 Si4 -","- C32 H48 N2 Nb P2 Si4 -","- C128 H192 N8 Nb4 P8 Si16 -","4","1","","Michael D. Fryzuk; Christopher M. Kozak; Michael R. Bowdridge; Brian O. Patrick; Steven J. Rettig","Nitride Formation by Thermolysis of a Kinetically Stable Niobium Dinitrogen Complex","Journal of the American Chemical Society","2002","124","","8389","8397","10.1021/ja025997f","","","0.7107","MoKα","","0.048","0.027","","0.0702","","0.0702","","","0.826","","","0.826","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115151","20.88","0.005","3.928","0.001","8.61","0.002","90","","90","","90","","706.2","0.3","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-2-Butenoic acid 4-amino-4-oxo ethyl ester","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C24 H36 N4 O12 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.0299","0.0257","","","0.0625","0.0646","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115152","17.632","0.004","14.097","0.003","4.9199","0.001","90","","90","","90","","1222.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-benzyl fumaric hemiamide ethyl ester","(E)-2-Butenoic acid 4-oxo-4[(phenylmethyl)amino] ethyl ester","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.1144","0.0436","","","0.0729","0.0818","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115153","9.9748","0.0018","12.13","0.002","9.5533","0.0016","90","","90","","90","","1155.9","0.3","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(phenylacetyl)glycine ethyl ester","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.0487","0.0333","","","0.0688","0.0732","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115313","17.978","0.0005","12.391","0.0006","10.333","0.0008","90","","90","","90","","2301.8","0.2","90","0.2","90","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Cl4 N2 O6 -","- C18 H26 Cl4 N2 O6 -","- C72 H104 Cl16 N8 O24 -","4","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","","0.0441","0.0358","","","0.0665","0.0691","","","","","","1.025","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115396","16.906","0.0002","11.413","0.0006","17.519","0.0006","90","","90","","90","","3380.3","0.2","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris[di-tert-butyl(methyl)silyl]germyllithium","","- C27 H63 Ge Li Si3 -","- C27 H63 Ge Li Si3 -","- C108 H252 Ge4 Li4 Si12 -","4","1","","Masaaki Nakamoto; Tomohide Fukawa; Vladimir Ya. Lee; Akira Sekiguchi","Nearly Planar Nonsolvated Monomeric Silyl- and Germyllithiums as a Result of an Intramolecular CH-Li Agostic Interaction","Journal of the American Chemical Society","2002","124","","15160","15161","10.1021/ja021142r","","","0.7107","MoKα","","0.0399","0.0354","","","0.0922","0.0948","","","","","","1.06","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115412","19.7525","0.0011","9.8664","0.0006","10.9577","0.0006","90","","90","","90","","2135.5","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","[K(18-crown-6)(toluene)]","","","- C19 H32 K O6 -","- C19 H32 K O6 -","- C76 H128 K4 O24 -","4","1","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0587","0.0476","","","0.1152","0.1236","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4115515","12.6576","0.0012","42.116","0.004","11.5962","0.0011","90","","90","","90","","6181.8","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium) 1,8-octanedisulfonate","","","- C10 H28 N6 O6 S2 -","- C10 H28 N6 O6 S2 -","- C120 H336 N72 O72 S24 -","12","3","","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","","0.0947","0.0541","","","0.131","0.1455","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115663","13.479","0.0007","19.785","0.001","15.6967","0.0009","90","","90","","90","","4186","0.4","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H62 Cl2 O P2 Pd -","- C43 H62 Cl2 O P2 Pd -","- C172 H248 Cl8 O4 P8 Pd4 -","4","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.067","0.046","","0.056","","0.05","","","1.573","","","1.599","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115766","16.6842","0.0007","9.4119","0.0004","14.7948","0.0006","90","","90","","90","","2323.23","0.17","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","Cp*2Zr(o-C6H4F)H","","","- C26 H35 F Zr -","- C26 H35 F Zr -","- C104 H140 F4 Zr4 -","4","1","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.071","0.068","","","0.1978","0.2013","","","","","","0.932","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115982","23.723","0.004","7.1323","0.0009","15.452","0.002","90","","90","","90","","2614.5","0.6","296","1","296","1","","","","","","","Synthesized in the laboratory of J. P. Selegue","6","P n a 21","P 2c -2n","33","","endo-pentahapto-pentamethylcyclopentadienyl-hexahapto-7bH- indeno[1,2,3-jk]fluoreneruthenium(II) trifluoromethanesulfonate","","- C30 H27 F3 O3 Ru S -","- C30 H27 F3 O3 Ru S -","- C120 H108 F12 O12 Ru4 S4 -","4","1","","Aibing Xia; John P. Selegue; Alberto Carrillo; Carolyn P. Brock","Stereochemical Inversion of a Coordinated, Curved Hydrocarbon: Syntheses and Structures of exo- and endo-[Ru(η6-fluoradene)(η-C5Me5)][CF3SO3]","Journal of the American Chemical Society","2000","122","","3973","3974","10.1021/ja994266l","","","0.71073","MoKα","","0.056","0.0317","","0.0862","0.0772","","","","1.085","1.102","1.102","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4116306","20.488","0.004","17.89","0.004","25.116","0.005","90","","90","","90","","9206","3","293","2","293","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C81 H114 Cl2 Cr F6 Fe2 N6 O9 P S6 -","- C81 H114 Cl2 Cr F6 Fe2 N6 O9 P S6 -","- C324 H456 Cl8 Cr4 F24 Fe8 N24 O36 P4 S24 -","4","1","","Thorsten Glaser; Thomas Beissel; Eckhard Bill; Thomas Weyhermüller; Volker Schünemann; Wolfram Meyer-Klaucke; Alfred X. Trautwein; Karl Wieghardt","Electronic Structure of Linear Thiophenolate-Bridged Heterotrinuclear Complexes [LFeMFeL]n+ (M = Cr, Co, Fe; n= 1-3): Localized vs Delocalized Models","Journal of the American Chemical Society","1999","121","","2193","2208","10.1021/ja982898m","","","0.71073","MoKα","","0.1216","0.0631","","0.2147","0.1671","","","","0.987","1.065","1.065","","","","","has coordinates,has disorder","178934","2020-10-21","18:00:00",""
"4116375","10.258","0.002","6.067","0.0015","62.852","0.017","90","","90","","90","","3911.6","1.6","223","2","223","2","","","","","","","synthesis at U. of Chicago","2","P n a 21","P 2c -2n","33","Phenyltercubyl","","","- C30 H24 -","- C30 H24 -","- C240 H192 -","8","2","","Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard","Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1","Journal of the American Chemical Society","1999","121","17","4111","4123","10.1021/ja983441f","","","1.54178","CuKα","","0.1793","0.09","","0.3269","0.2133","","","","1.05","1.229","1.229","","","","","has coordinates","209506","2020-10-21","18:00:00",""
"4116661","28.1184","0.0005","9.5734","0.0002","14.8812","0.0001","90","","90","","90","","4005.85","0.11","198","2","198","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C46 H43 Cl2 Fe4 O4 P Ru -","- C46 H43 Cl2 Fe4 O4 P Ru -","- C184 H172 Cl8 Fe16 O16 P4 Ru4 -","4","1","","Mark D. Westmeyer; Mark A. Massa; Thomas B. Rauchfuss; Scott R. Wilson","Functionalization of Cp4Fe4(CO)4: Contrasts and Comparisons with Ferrocene","Journal of the American Chemical Society","1998","120","","114","123","10.1021/ja972557t","","","0.71073","MoKαlpha","","0.0704","0.046","","0.1178","0.0994","","","","1.042","0.986","0.986","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116702","7.944","0.002","16.238","0.003","25.64","0.005","90","","90","","90","","3307.4","1.2","130","2","130","2","","","","","","","","3","P n a 21","P 2c -2n","33","2,6-Trip~2~C~6~H~3~In","","","- C36 H49.18 In0.82 -","- C36 H49.186 In0.814 -","- C144 H196.744 In3.256 -","4","1","","Scott T. Haubrich; Philip P. Power","Monomeric InC6H3-2,6-Trip2 (Trip = -C6H2-2,4,6-i-Pr3) and Its Manganese Complex (η5-C5H5)(CO)2MnInC6H3-2,6-Trip2: One-Coordinate Indium in the Solid State","Journal of the American Chemical Society","1998","120","","2202","2203","10.1021/ja973479c","","","0.71073","MoKα","","0.111","0.052","","0.1483","0.0993","","","","1.039","1.114","1.114","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116726","25.718","0.002","5.733","0.001","6.557","0.001","90","","90","","90","","966.8","0.2","218","2","218","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H8 F I O2 -","- C10 H8 F I O2 -","- C40 H32 F4 I4 O8 -","4","1","","Hermann Irngartinger; Stefan Strack","Electron Density Distribution in a 1,2-Difluorinated Cubane Derivative","Journal of the American Chemical Society","1998","120","","5818","5819","10.1021/ja980514m","","","0.71073","MoKα","","0.028","0.0238","","0.0846","0.0661","","","","1.161","1.14","1.14","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116790","21.211","0.004","6.1216","0.0008","19.01","0.01","90","","90","","90","","2468.4","1.4","123.2","","123.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H32 N5 O4 -","- C26 H32 N5 O4 -","- C104 H128 N20 O16 -","4","1","","Megumi Tanaka; Kenji Matsuda; Tetsuji Itoh; Hiizu Iwamura","Syntheses and Magnetic Properties of Stable Organic Triradicals with Quartet Ground States Consisting of Different Nitroxide Radicals","Journal of the American Chemical Society","1998","120","","7168","7173","10.1021/ja980817g","","","0.7107","MoKα","","0.077","0.0657","","0.1004","0.0961","","","","1.903","1.815","1.815","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116860","22.1812","0.0003","8.6093","0.0003","18.0832","0.0003","90","","90","","90","","3453.25","0.14","180.2","","180.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H46 N2 P Si2 Ta -","- C33 H46 N2 P Si2 Ta -","- C132 H184 N8 P4 Si8 Ta4 -","4","1","","Michael D. Fryzuk; Samuel A. Johnson; Steven J. Rettig","New Mode of Coordination for the Dinitrogen Ligand: A Dinuclear Tantalum Complex with a Bridging N2 Unit That Is Both Side-On and End-On","Journal of the American Chemical Society","1998","120","","11024","11025","10.1021/ja982377z","","","0.7107","MoKα","","0.0518","0.031","","0.0503","","0.0503","","","1.71","","","1.71","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116879","16.9663","0.0003","15.3304","0.0002","7.7748","0.0001","90","","90","","90","","2022.23","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H31 Cl Hg O5 -","- C21 H31 Cl Hg O5 -","- C84 H124 Cl4 Hg4 O20 -","4","1","","Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers","Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms","Journal of the American Chemical Society","1998","120","","11603","11615","10.1021/ja981756p","","","0.71073","MoKα","","0.0422","0.0278","","0.0555","0.0524","","","","0.893","0.971","0.971","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4117039","23.8784","0.0014","29.488","0.001","14.244","0.008","90","","90","","90","","10030","6","213","2","213","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H50 B2 Cl4 Cr3 F9 N12 -","- C39.1111 H28.4444 B1.77778 Cl2.22222 Cr2.66667 F8 N10.6667 -","- C352 H256 B16 Cl20 Cr24 F72 N96 -","9","2.25","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.103","0.0792","","0.2349","0.2028","","","","1.101","1.074","1.074","","","","","has coordinates","270159","2021-10-29","11:47:50",""
"4117077","20.951","0.004","10.999","0.002","12.05","0.002","90","","90","","90","","2776.8","0.9","188","2","188","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C16 H39 F3 Mo N4 O3 S Si3 -","- C16 H39 F3 Mo N4 O3 S Si3 -","- C64 H156 F12 Mo4 N16 O12 S4 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0644","0.0486","","0.1542","0.1068","","","","0.996","1.016","1.016","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117108","16.272","0.007","21.323","0.004","13.051","0.004","90","","90","","90","","4528","3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H40 Li2 O3 -","- C22 H40 Li2 O3 -","- C176 H320 Li16 O24 -","8","2","","Klas Sorger; Paul von Ragué Schleyer; Dietmar Stalke","Dimeric [3,3-Dimethyl-2-(trimethylsilyl)cyclopropenyl]- lithium-Tetramethylethylenediamine: Distortion of the Cyclopropenyl Geometry Due to Strong Rehybridization at the Lithiated Carbon","Journal of the American Chemical Society","1996","118","","1086","1091","10.1021/ja9521280","","","0.71073","MoKα","","0.0771","0.0682","","0.1909","0.1781","","","","1.054","1.055","1.055","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117184","17.463","0.005","12.558","0.002","30.426","0.007","90","","90","","90","","6672","3","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H36 Cl2 N O5 P -","- C36 H36 Cl2 N O5 P -","- C288 H288 Cl16 N8 O40 P8 -","8","2","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKa","","0.0619","0.0461","","0.1141","0.0978","","","","1.069","1.045","1.045","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117193","15.984","0.003","9.064","0.004","18.047","0.003","90","","90","","90","","2614.6","1.3","296.2","","296.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H28 Au2 I2 P2 -","- C20 H28 Au2 I2 P2 -","- C80 H112 Au8 I8 P8 -","4","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","","","0.7107","MoKalpha","","","0.0337","","","0.0207","","","","","1.749","1.749","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117219","11.593","0.002","12.446","0.003","7.297","0.003","90","","90","","90","","1052.9","0.5","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tris(dimethylamino)methylene-phosphorane","","- C7 H20 N3 P -","- C7 H20 N3 P -","- C28 H80 N12 P4 -","4","1","","Norbert W. Mitzel; Bruce A. Smart; Karl-Heinz Dreihäupl; David W. H. Rankin; Hubert Schmidbaur","Low Symmetry in P(NR2)3 Skeletons and Related Fragments: An Inherent Phenomenon","Journal of the American Chemical Society","1996","118","","12673","12682","10.1021/ja9621861","","","0.71073","MoKα","","0.0875","0.0479","","0.1112","0.096","","","","1.019","1.076","1.076","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00",""
"4117222","23.777","0.003","12.744","0.005","9.092","0.003","90","","90","","90","","2755","1.5","296.2","","296.2","","","","","","","","Dansylamidoethyl-cyclen Zn","7","P n a 21","P 2c -2n","33","ZnL","","","- C22 H35 Cl N6 O6 S Zn -","- C22 H35 Cl N6 O6 S Zn -","- C88 H140 Cl4 N24 O24 S4 Zn4 -","4","1","","Tohru Koike; Tomohiko Watanabe; Shin Aoki; Eiichi Kimura; Motoo Shiro","A Novel Biomimetic Zinc(II)-Fluorophore, Dansylamidoethyl-Pendant Macrocyclic Tetraamine 1,4,7,10-Tetraazacyclododecane (Cyclen)","Journal of the American Chemical Society","1996","118","","12696","12703","10.1021/ja962527a","","","1.5418","CuKα","","","0.0318","","","0.0474","","","","","1.311","1.311","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117247","27.6998","0.0019","8.0335","0.0006","19.1504","0.0013","90","","90","","90","","4261.5","0.5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C50 H20 Cl10 -","- C50 H20 Cl10 -","- C200 H80 Cl40 -","4","1","","Lawrence T. Scott; Edward A. Jackson; Qianyan Zhang; Brian D. Steinberg; Mihail Bancu; Bo Li","A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis","Journal of the American Chemical Society","2012","134","","107","110","10.1021/ja209461g","","","0.71073","MoKα","","0.0547","0.0467","","","0.103","0.1073","","","","","","1.064","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117254","11.1839","0.0003","10.8709","0.0003","17.0362","0.0005","90","","90","","90","","2071.25","0.1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H30 B O2 P -","- C22 H30 B O2 P -","- C88 H120 B4 O8 P4 -","4","1","","Federica Bertini; Volodymyr Lyaskovskyy; Brian J. J. Timmer; Frans J. J. de Kanter; Martin Lutz; Andreas W. Ehlers; J. Chris Slootweg; Koop Lammertsma","Preorganized Frustrated Lewis Pairs","Journal of the American Chemical Society","2012","134","","201","204","10.1021/ja210214r","","","0.71073","MoKα","","0.0294","0.0269","","","0.0684","0.0698","","","","","","1.023","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117327","47.632","0.01","11.154","0.002","14.125","0.003","90","","90","","90","","7504","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H36 Cl2 N2 O4 Pd2 -","- C41 H36 Cl2 N2 O4 Pd2 -","- C328 H288 Cl16 N16 O32 Pd16 -","8","2","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","0.71073","MoKα","","0.0878","0.0646","","","0.1514","0.166","","","","","","1.055","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117379","48.779","0.003","3.8228","0.0002","14.2036","0.0009","90","","90","","90","","2648.6","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","ClBBO","","","- C6 Cl N2 O S4 -","- C6 Cl N2 O S4 -","- C72 Cl12 N24 O12 S48 -","12","3","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Robertson, Craig M.; Noll, Bruce C.; Campana, Charles F.; Howard, Judith A. K.; Dube, Paul A.; Oakley, Richard T.","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","4","2264","2275","10.1021/ja209841z","","","1.54178","CuKα","","0.0886","0.0788","","","0.198","0.2043","","","","","","1.059","","","","has coordinates","219253","2020-10-21","18:00:00",""
"4117380","9.4913","0.0003","23.5986","0.0008","5.3124","0.0002","90","","90","","90","","1189.88","0.07","300","2","299.53","","","","","","","","","6","P n a 21","P 2c -2n","33","ClBBO.MeCN","","","- C8 H3 Cl N3 O S4 -","- C8 H3 Cl N3 O S4 -","- C32 H12 Cl4 N12 O4 S16 -","4","1","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Robertson, Craig M.; Noll, Bruce C.; Campana, Charles F.; Howard, Judith A. K.; Dube, Paul A.; Oakley, Richard T.","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","4","2264","2275","10.1021/ja209841z","","","1.54188","CUKα","","0.0227","0.0216","","","0.0561","0.0565","","","","","","1.069","","","","has coordinates","219253","2020-10-21","18:00:00",""
"4117565","18.3527","0.0008","7.6789","0.0004","16.5549","0.0008","90","","90","","90","","2333.06","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H23 Cl N4 O5 -","- C26 H23 Cl N4 O5 -","- C104 H92 Cl4 N16 O20 -","4","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","","0.0527","0.0424","","","0.0912","0.0962","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117571","25.0228","0.0014","8.3677","0.0004","6.5763","0.0004","90","","90","","90","","1376.97","0.13","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C60 H64 N8 O4 S4 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.034","0.0303","","","0.0842","0.1","","","","","","1.174","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117575","7.6025","0.0008","15.0667","0.0017","10.5922","0.001","90","","90","","90","","1213.3","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N Se2 -","- C13 H11 N Se2 -","- C52 H44 N4 Se8 -","4","1","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0507","0.04","","","0.1018","0.1114","","","","","","0.798","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117658","16.6415","0.0008","11.6477","0.0005","18.3227","0.0009","90","","90","","90","","3551.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H52 O4 W -","- C39 H52 O4 W -","- C156 H208 O16 W4 -","4","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.0282","0.0218","","","0.0469","0.0485","","","","","","0.952","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117900","15.63155","0.00015","8.22032","0.00008","7.366","0.00007","90","","90","","90","","946.504","0.016","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- Cu F4 H14 O8 V -","- Cu F4 H14 O8 V -","- Cu4 F16 H56 O32 V4 -","4","1","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","x-ray","0.71069","MoKα","","0.0124","0.012","","","0.0329","0.0339","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118199","15.83","0.008","7.718","0.004","9.003","0.004","90","","90","","90","","1099.9","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H15 Cl3 Cu N2 O -","- C6 H15 Cl3 Cu N2 O -","- C24 H60 Cl12 Cu4 N8 O4 -","4","1","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0184","0.0181","","","0.0532","0.0533","","","","","","1.097","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118201","15.847","0.007","7.682","0.003","8.976","0.004","90","","90","","90","","1092.7","0.8","93","2","93","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H12 Cl3 Cu D3 N2 O -","- C6 H12 Cl3 Cu D3 N2 O -","- C24 H48 Cl12 Cu4 D12 N8 O4 -","4","1","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0201","0.0197","","","0.0477","0.0479","","","","","","1.053","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118348","17.9833","0.0017","5.7116","0.0006","40.992","0.004","90","","90","","90","","4210.4","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H21 F3 O2 -","- C26 H21 F3 O2 -","- C208 H168 F24 O16 -","8","2","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54178","CuKα","","0.1403","0.1049","","","0.293","0.3283","","","","","","1.062","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118355","22.808","0.007","27.255","0.008","4.9139","0.0014","90","","90","","90","","3054.6","1.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C160 H144 N16 O16 -","8","2","","Liana Wong; Chunhua Hu; Ruthanne Paradise; Zina Zhu; Alexander Shtukenberg; Bart Kahr","Relationship between Tribology and Optics in Thin Films of Mechanically Oriented Nanocrystals","Journal of the American Chemical Society","2012","134","","12245","12251","10.1021/ja304799a","","","0.71073","MoKα","","0.0924","0.0558","","","0.117","0.1325","","","","","","1.051","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118522","16.434","0.005","11.857","0.003","4.9575","0.0014","90","","90","","90","","966","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H10 N6 O S -","- C8 H10 N6 O S -","- C32 H40 N24 O4 S4 -","4","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","","0.0382","0.0304","","","0.0704","0.0738","","","","","","1.037","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118708","12.8722","0.0002","9.6885","0.0001","11.3846","0.0001","90","","90","","90","","1419.8","0.03","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N2 O -","- C15 H24 N2 O -","- C60 H96 N8 O4 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0416","0.0346","","","0.0848","0.0895","","","","","","1.023","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118737","10.0247","0.0018","14.497","0.003","28.512","0.005","90","","90","","90","","4143.6","1.3","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19.5 H18 F6 N4 S -","- C19.5 H18 F6 N4 S -","- C156 H144 F48 N32 S8 -","8","2","","Yi An Cheng; Tao Chen; Chong Kiat Tan; Jun Jie Heng; Ying-Yeung Yeung","Efficient Medium Ring Size Bromolactonization Using a Sulfur-Based Zwitterionic Organocatalyst","Journal of the American Chemical Society","2012","134","","16492","16495","10.1021/ja307210n","","","0.71073","MoKα","","0.1043","0.0794","","","0.1635","0.1748","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118847","29.7963","0.0016","8.408","0.0005","21.7444","0.0011","90","","90","","90","","5447.6","0.5","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C23.5 H24 Cl F6 N4 O2 P Pt -","- C23.5 H24 Cl F6 N4 O2 P Pt -","- C188 H192 Cl8 F48 N32 O16 P8 Pt8 -","8","2","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0844","0.0657","","","0.1243","0.1345","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119028","17.072","0.002","15.982","0.002","18.311","0.002","90","","90","","90","","4996.1","1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H27 B F24 N5 O3 Re -","- C48 H27 B F24 N5 O3 Re -","- C192 H108 B4 F96 N20 O12 Re4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1113","0.053","","","0.0955","0.1211","","","","","","0.958","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119049","6.4299","0.0002","5.6658","0.0002","20.5491","0.0008","90","","90","","90","","748.61","0.05","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","ammonium 1,3-di(nitroimide)-1,2,3-triazolate","ammonium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H6 N8 O4 -","- C2 H6 N8 O4 -","- C8 H24 N32 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0395","0.038","","","0.0978","0.0999","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119090","15.884","0.003","14.908","0.003","11.701","0.002","90","","90","","90","","2770.8","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H40 Br N P2 Pt -","- C25 H40 Br N P2 Pt -","- C100 H160 Br4 N4 P8 Pt4 -","4","1","","Strawser, David; Karton, Amir; Zenkina, Olena V.; Iron, Mark A.; Shimon, Linda J. W.; Martin, Jan M. L.; van der Boom, Milko E.","Platinum Stilbazoles: Ring-Walking Coupled with Aryl−Halide Bond Activation","Journal of the American Chemical Society","2005","127","26","9322","9323","10.1021/ja050613h","","","0.71073","MoKα","","0.0512","0.0434","","","0.111","0.1175","","","","","","1.049","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119124","17.4334","0.0009","10.6793","0.0006","14.4679","0.0008","90","","90","","90","","2693.6","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H17 B F15 N O -","- C29 H17 B F15 N O -","- C116 H68 B4 F60 N4 O4 -","4","1","","Geier, Stephen J.; Stephan, Douglas W.","Lutidine/B(C6F5)3: At the Boundary of Classical and Frustrated Lewis Pair Reactivity","Journal of the American Chemical Society","2009","131","10","3476","3477","10.1021/ja900572x","","","0.71073","MoKα","","0.0524","0.0389","","","0.1063","0.1146","","","","","","1.046","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119154","19.063","0.0005","14.8769","0.0004","7.352","0.0003","90","","90","","90","","2085.02","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 I N4 S -","- C22 H19 I N4 S -","- C88 H76 I4 N16 S4 -","4","1","","Nathaniel I. Shank; Ha H. Pham; Alan S. Waggoner; Bruce A. Armitage","Twisted Cyanines: A Non-Planar Fluorogenic Dye with Superior Photostability and its Use in a Protein-Based Fluoromodule","Journal of the American Chemical Society","2013","135","","242","251","10.1021/ja308629w","","","1.54178","CuKα","","0.0327","0.0282","","","0.0777","0.0817","","","","","","0.824","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119476","17.265","0.002","25.499","0.003","11.2048","0.0014","90","","90","","90","","4932.8","1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","ben04","","","- C53 H68 B Mn N4 O3 S -","- C53 H68 B Mn N4 O3 S -","- C212 H272 B4 Mn4 N16 O12 S4 -","4","1","","Michael K. Coggins; Vlad Martin-Diaconescu; Serena DeBeer; Julie A. Kovacs","Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes","Journal of the American Chemical Society","2013","135","","4260","4272","10.1021/ja308915x","","","0.71073","MoKα","","0.1826","0.0696","","","0.0937","0.1246","","","","","","1","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119592","22.3334","0.0016","29.1146","0.0012","18.8388","0.0013","90","","90","","90","","12249.5","1.3","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C92 H92 Al2 F72 O8 P2 -","- C92 H92 Al2 F72 O8 P2 -","- C368 H368 Al8 F288 O32 P8 -","4","1","","Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang","Stable Tetraaryldiphosphine Radical Cation and Dication","Journal of the American Chemical Society","2013","135","","5561","5564","10.1021/ja402492u","","","0.71073","MoKα","","0.0636","0.0581","","","0.1575","0.1589","","","","","","1.093","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119702","24.019","0.0012","15.0889","0.0008","9.4039","0.0005","90","","90","","90","","3408.2","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H56 Fe N2 P4 Si -","- C27 H56 Fe N2 P4 Si -","- C108 H224 Fe4 N8 P16 Si4 -","4","1","","Burgert Blom; Stephan Enthaler; Shigeyoshi Inoue; Elisabeth Irran; Matthias Driess","Electron-Rich N-Heterocyclic Silylene (NHSi)-Iron Complexes: Synthesis, Structures, and Catalytic Ability of an Isolable Hydridosilylene-Iron Complex","Journal of the American Chemical Society","2013","135","","6703","6713","10.1021/ja402480v","","","0.71073","MoKα","","0.0793","0.0731","","","0.1699","0.1737","","","","","","1.141","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4120157","16.7804","0.0002","9.29733","0.00011","13.69152","0.00018","90","","90","","90","","2136.05","0.05","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0317","0.0297","","","0.0739","0.0753","","","","","","1.053","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120195","20.561","0.003","9.232","0.003","14.145","0.006","90","","90","","90","","2685","1.5","173","2","173","2","","","101","","","","","4","P n a 21","P 2c -2n","33","bis(2,6-diisopropylphenyl)phenylphosphine oxide","oxo bis(2,6-diisopropylphenyl)phenylphosphane(V)","","- C30 H39 O P -","- C30 H39 O P -","- C120 H156 O4 P4 -","4","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","","0.0485","0.0363","","","0.0834","0.0895","","","","","","1.03","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120293","12.9176","0.0009","26.8483","0.0019","25.9955","0.0018","90","","90","","90","","9015.6","1.1","30","2","30","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C72 H81 Cl0.5 I1.5 N36 O21.5 -","- C72 H70 Cl0.5 I1.5 N36 O21.5 -","- C288 H280 Cl2 I6 N144 O86 -","4","1","","Jesús del Barrio; Peter N. Horton; Didier Lairez; Gareth O. Lloyd; Chris Toprakcioglu; Oren A. Scherman","Photocontrol over Cucurbit[8]uril Complexes: Stoichiometry and Supramolecular Polymers","Journal of the American Chemical Society","2013","135","","11760","11763","10.1021/ja406556h","","","0.6889","","","0.1527","0.103","","","0.2845","0.3268","","","","","","1.164","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120357","25.0605","0.0014","38.2428","0.0012","10.73","0.0004","90","","90","","90","","10283.5","0.8","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C105 H102 B2 F30 Ir2 N4 O5 -","- C90 H70 B2 F30 Ir2 N4 -","- C360 H280 B8 F120 Ir8 N16 -","4","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.06","0.0527","","","0.1226","0.1265","","","","","","1.024","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120419","22.499","0.004","5.9223","0.001","7.5985","0.0013","90","","90","","90","","1012.5","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H7 F5 -","- C12 H7 F5 -","- C48 H28 F20 -","4","1","","Anton Lishchynskyi; Vladimir V. Grushin","Cupration of C2F5H: Isolation, Structure, and Synthetic Applications of [K(DMF)2][(t-BuO)Cu(C2F5)]. Highly Efficient Pentafluoroethylation of Unactivated Aryl Bromides","Journal of the American Chemical Society","2013","135","","12584","12587","10.1021/ja407017j","","","0.71073","MoKα","","0.051","0.0407","","","0.0815","0.0862","","","","","","1.086","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120568","22.773","0.002","10.794","0.002","16.689","0.002","90","","90","","90","","4102.4","1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C47 H70 Co2 N2 -","- C47 H70 Co2 N2 -","- C188 H280 Co8 N8 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0273","0.0249","","","0.0551","0.056","","","","","","1.08","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120702","15.8489","0.0017","34.478","0.004","11.8844","0.0013","90","","90","","90","","6494.1","1.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C53 H102 Li N4 O8 Si6 U -","- C53 H102 Li N4 O8 Si6 U -","- C212 H408 Li4 N16 O32 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.064","0.0406","","","0.0644","0.0697","","","","","","1.027","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120707","20.7465","0.0006","11.7265","0.0004","7.8125","0.0003","90","","90","","90","","1900.65","0.11","123","1","123","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H23 Cl Ho O3 P -","- C16 H23 Cl Ho O3 P -","- C64 H92 Cl4 Ho4 O12 P4 -","4","1","","Stephan Salzinger; Benedikt S. Soller; Andriy Plikhta; Uwe B. Seemann; Eberhardt Herdtweck; Bernhard Rieger","Mechanistic Studies on Initiation and Propagation of Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates","Journal of the American Chemical Society","2013","135","","13030","13040","10.1021/ja404457f","","","0.71073","MoKα","","0.0145","0.0144","","","0.0369","0.0369","","","","","","1.197","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120708","20.7504","0.0007","11.7361","0.0004","7.8075","0.0003","90","","90","","90","","1901.35","0.12","153","1","153","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H23 Cl O3 P Yb -","- C16 H23 Cl O3 P Yb -","- C64 H92 Cl4 O12 P4 Yb4 -","4","1","","Stephan Salzinger; Benedikt S. Soller; Andriy Plikhta; Uwe B. Seemann; Eberhardt Herdtweck; Bernhard Rieger","Mechanistic Studies on Initiation and Propagation of Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates","Journal of the American Chemical Society","2013","135","","13030","13040","10.1021/ja404457f","","","0.71073","MoKα","","0.0143","0.0142","","","0.0373","0.0374","","","","","","1.088","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120715","12.3714","0.0013","19.442","0.002","13.907","0.0017","90","","90","","90","","3345","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","MABIV142","","","- C32 H33 F6 N3 O4 Pt S2 -","- C32 H33 F6 N3 O4 Pt S2 -","- C128 H132 F24 N12 O16 Pt4 S8 -","4","1","","Miriam A. Bowring; Robert G. Bergman; T. Don Tilley","Pt-Catalyzed C-C Activation Induced by C-H Activation","Journal of the American Chemical Society","2013","135","","13121","13128","10.1021/ja406260j","","","0.71073","MoKα","","0.0727","0.0424","","","0.0806","0.0873","","","","","","0.993","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120841","17.0215","0.0003","12.70711","0.00018","12.66693","0.00019","90","","90","","90","","2739.78","0.07","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C24 H25 B1.82 Cl0.18 F7.27 Fe N6 O2 -","- C24 H25 B1.816 Cl0.184 F7.264 Fe N6 O2 -","- C96 H100 B7.264 Cl0.736 F29.056 Fe4 N24 O8 -","4","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","","0.0369","0.0319","","","0.082","0.0839","","","","","","1.044","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120850","26.927","0.0014","26.7769","0.0013","8.3326","0.0004","90","","90","","90","","6008","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H30 F12 N6 Ni P2 -","- C28 H23.5 F12 N6.5 Ni P2 -","- C224 H188 F96 N52 Ni8 P16 -","8","2","","V. Sara Thoi; Nikolay Kornienko; Charles G. Margarit; Peidong Yang; Christopher J. Chang","Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene-Isoquinoline Complex","Journal of the American Chemical Society","2013","135","","14413","14424","10.1021/ja4074003","","","0.71073","MoKα","","0.0719","0.0441","","","0.0751","0.085","","","","","","0.943","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120858","7.1097","0.0011","11.5996","0.0018","12.0357","0.0018","90","","90","","90","","992.6","0.3","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Shikha Sharma; Trideep Rajale; David B. Cordes; Fernando Hung-Low; David M. Birney","Experimental and Computational Studies on the [3,3]- and [3,5]-Sigmatropic Rearrangements of Acetoxycyclohexadienones: A Non-ionic Mechanism for Acyl Migration","Journal of the American Chemical Society","2013","135","","14438","14447","10.1021/ja4077364","","","0.71073","MoKα","","0.0507","0.0445","","","0.1014","0.1064","","","","","","1.086","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4121137","13.5864","0.0004","16.0764","0.0004","12.5172","0.0004","90","","90","","90","","2734.01","0.14","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H26 Cl N3 O2 Pd S -","- C31 H26 Cl N3 O2 Pd S -","- C124 H104 Cl4 N12 O8 Pd4 S4 -","4","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0542","0.0446","","","0.112","0.1225","","","","","","1.094","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121296","17.1712","0.0004","14.6439","0.0003","8.7281","0.0001","90","","90","","90","","2194.71","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H40 N2 Si2 -","- C19 H40 N2 Si2 -","- C76 H160 N8 Si8 -","4","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","","0.0449","0.0414","","","0.1109","0.1141","","","","","","1.051","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121300","28.882","0.003","7.1096","0.0006","8.0556","0.0007","90","","90","","90","","1654.1","0.3","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H20 S2 Si -","- C17 H20 S2 Si -","- C68 H80 S8 Si4 -","4","1","","Timothy A. Su; Jonathan R. Widawsky; Haixing Li; Rebekka S. Klausen; James L. Leighton; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Silicon Ring Strain Creates High-Conductance Pathways in Single-Molecule Circuits","Journal of the American Chemical Society","2013","135","","18331","18334","10.1021/ja410656a","","","0.71073","MoKα","","0.0514","0.0408","","","0.0873","0.0913","","","","","","1.06","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121501","23.0608","0.0009","14.0118","0.0006","14.0919","0.0006","90","","90","","90","","4553.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","Complex 5","","","- C43 H60 Co N4 O4 P3 U -","- C43 H60 Co N4 O4 P3 U -","- C172 H240 Co4 N16 O16 P12 U4 -","4","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0654","0.0479","","","0.1112","0.1175","","","","","","0.955","","","","has coordinates","275247","2022-05-09","01:37:06",""
"4121584","43.9022","0.0011","6.7597","0.0002","48.8964","0.0012","90","","90","","90","","14510.8","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(12,13,14,15-tetrahydro-6,9:18,21-diepimino[1,6]diazacycloctadecino[12,13-b]- quinoxalinato]gold(III) hexafluorophosphate(V) mono(acetonitrile) solvate","","- C24 H21 Au F6 N7 P -","- C24 H21 Au F6 N7 P -","- C576 H504 Au24 F144 N168 P24 -","24","6","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","1.54178","CuKα","","0.068","0.052","","","0.1067","0.1131","","","","","","1.055","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121591","21.191","0.004","15.335","0.003","5.0155","0.001","90","","90","","90","","1629.9","0.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H12 N2 O5 S2 -","- C18 H12 N2 O5 S2 -","- C72 H48 N8 O20 S8 -","4","1","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0339","0.0287","","","0.0703","0.0729","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121708","24.967","0.004","20.773","0.003","8.083","0.0012","90","","90","","90","","4192.2","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H60 N2 Ni P2 -","- C47 H60 N2 Ni P2 -","- C188 H240 N8 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.1048","0.0593","","","0.1126","0.1231","","","","","","0.863","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121728","8.3783","0.0005","29.7661","0.0016","18.5467","0.001","90","","90","","90","","4625.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","BJL-Cy","compound-4m","","- C18 H26 O2 -","- C18 H26 O2 -","- C216 H312 O24 -","12","3","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","1.54178","CuKα","","0.0319","0.0299","","","0.0774","0.0789","","","","","","1.027","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121750","10.9621","0.0011","6.8681","0.0006","9.707","0.001","90","","90","","90","","730.83","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H6 Cl2 O2 -","- C6 H6 Cl2 O2 -","- C24 H24 Cl8 O8 -","4","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","","","0.71073","MoKα","","0.0516","0.0377","","","0.0755","0.0823","","","","","","1.031","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121751","7.4599","0.0004","15.6717","0.0008","10.2844","0.0005","90","","90","","90","","1202.34","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H9 Cl2 N O2 S -","- C11 H9 Cl2 N O2 S -","- C44 H36 Cl8 N4 O8 S4 -","4","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","","","0.71073","MoKα","","0.029","0.0259","","","0.0635","0.0656","","","","","","1.024","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121853","21.125","0.003","8.114","0.0012","10.7158","0.0016","90","","90","","90","","1836.8","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 N3 O -","- C22 H22 N3 O -","- C88 H88 N12 O4 -","4","1","","Li, Liangchun; Matsuda, Ryotaro; Tanaka, Iku; Sato, Hiroshi; Kanoo, Prakash; Jeon, Hyung Joon; Foo, Maw Lin; Wakamiya, Atsushi; Murata, Yasujiro; Kitagawa, Susumu","A crystalline porous coordination polymer decorated with nitroxyl radicals catalyzes aerobic oxidation of alcohols.","Journal of the American Chemical Society","2014","136","21","7543","7546","10.1021/ja5019095","","","0.71073","MoKα","","","0.0784","","","","0.1751","","","","","","1.149","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4122088","34.572","0.006","12.945","0.002","12.682","0.002","90","","90","","90","","5675.6","1.6","27","2","27","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0818","0.0595","","","0.1272","0.1353","","","","","","1.873","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122089","34.973","0.008","13.011","0.003","12.766","0.003","90","","90","","90","","5809","2","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0623","0.039","","","0.0823","0.0926","","","","","","1.202","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122090","34.973","0.008","13.011","0.003","12.766","0.003","90","","90","","90","","5809","2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0853","0.0441","","","0.0848","0.1007","","","","","","1.144","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122111","22.8641","0.0002","8.5709","0.0001","26.0274","0.0002","90","","90","","90","","5100.48","0.08","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H55 Al Fe N4 O8 -","- C51 H55 Al Fe N4 O8 -","- C204 H220 Al4 Fe4 N16 O32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0573","0.0539","","","0.1378","0.1415","","","","","","0.849","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122144","18.757","0.005","17.392","0.005","16.703","0.004","90","","90","","90","","5449","3","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","2","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.057","0.0485","","","0.1027","0.1076","","","","","","1.078","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122149","33.185","0.003","10.8157","0.0009","14.5739","0.0012","90","","90","","90","","5230.8","0.8","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H85 K O4 P -","- C54.996 H85 K O4 P -","- C219.984 H340 K4 O16 P4 -","4","1","","Pan, Xiaobo; Wang, Xingyong; Zhao, Yue; Sui, Yunxia; Wang, Xinping","A crystalline phosphaalkene radical anion.","Journal of the American Chemical Society","2014","136","28","9834","9837","10.1021/ja504001x","","","0.71073","MoKα","","0.0506","0.0441","","","0.1039","0.1269","","","","","","1.154","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122242","15.392","0.003","25.532","0.005","17.085","0.003","90","","90","","90","","6714","2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","trans-PtCl2(CNArDipp2)2","","","- C72 H85 Cl2 F N4 Pt -","- C72 H85 Cl2 F N4 Pt -","- C288 H340 Cl8 F4 N16 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0336","0.0248","","","0.0446","0.0465","","","","","","1.002","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122297","19.4173","0.0017","17.2079","0.0015","13.992","0.0013","90","","90","","90","","4675.2","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H42 F6 N2 O4 W -","- C58 H42 F6 N2 O4 W -","- C232 H168 F24 N8 O16 W4 -","4","1","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0165","0.0148","","","0.0357","0.0363","","","","","","1.029","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122330","31.1097","0.0002","12.833","0.00013","21.5279","0.00009","90","","90","","90","","8594.6","0.11","150","0.4","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","[{Tl{B(NArCH)2}}2{C6H10}{B(NArCH)2}].0.5(C5H12)","","- C85.25 H121 B3 N6 Tl -","- C85.25 H121 B3 N6 Tl -","- C341 H484 B12 N24 Tl4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","0.71073","MoKα","","0.0262","0.0242","","0.0292","0.026","0.0253","","","","","","1.1254","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122553","34.23","0.03","15.81","0.013","6.133","0.005","90","","90","","90","","3319","5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O4 S2 -","- C15 H18 N2 O4 S2 -","- C120 H144 N16 O32 S16 -","8","2","","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","","0.1159","0.0716","","","0.1285","0.144","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122557","18.983","0.007","8.172","0.003","19.434","0.007","90","","90","","90","","3014.8","1.9","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C136 H136 N8 O16 S8 -","8","2","","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","","0.0804","0.055","","","0.1049","0.1165","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122782","25.1101","0.0003","11.0118","0.0002","19.2265","0.0001","90","","90","","90","","5316.27","0.12","100","2","100.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H56 F18 Ir2 N7 P3 -","- C46 H56 F18 Ir2 N7 P3 -","- C184 H224 F72 Ir8 N28 P12 -","4","1","","Barrett, Seth M.; Pitman, Catherine L.; Walden, Andrew G.; Miller, Alexander J. M.","Photoswitchable hydride transfer from iridium to 1-methylnicotinamide rationalized by thermochemical cycles.","Journal of the American Chemical Society","2014","136","42","14718","14721","10.1021/ja508762g","","","1.54178","CuKα","","0.0441","0.0401","","","0.0942","0.0967","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4123050","18.3041","0.0019","17.6314","0.0018","14.4784","0.0015","90","","90","","90","","4672.6","0.8","301","2","301","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H24 S3 Si -","- C24 H24 S3 Si -","- C192 H192 S24 Si8 -","8","2","","Chan, Jacky Chi-Hung; Lam, Wai Han; Yam, Vivian Wing-Wah","A Highly Efficient Silole-Containing Dithienylethene with Excellent Thermal Stability and Fatigue Resistance: A Promising Candidate for Optical Memory Storage Materials.","Journal of the American Chemical Society","2014","","","141126091854009","","10.1021/ja5101855","","","0.71073","MoKα","","0.063","0.0496","","","0.1204","0.1296","","","","","","1.027","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123129","17.226","0.007","23.087","0.01","6.148","0.003","90","","90","","90","","2445","1.9","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H26 B F2 N3 -","- C29 H26 B F2 N3 -","- C116 H104 B4 F8 N12 -","4","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","","0.167","0.0788","","","0.1351","0.1601","","","","","","1.025","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123508","32.4082","0.001","10.2792","0.0003","12.9122","0.0004","90","","90","","90","","4301.4","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H50 Cl2 N3 P -","- C48 H50 Cl2 N3 P -","- C192 H200 Cl8 N12 P4 -","4","1","","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","","0.0793","0.0475","","","0.1021","0.1151","","","","","","1.021","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123547","17.973","0.004","32.859","0.007","18.607","0.004","90","","90","","90","","10989","4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C104 H88 Au10 Cl2 P8 S4 -","- C104 H88 Au10 Cl2 P8 S4 -","- C416 H352 Au40 Cl8 P32 S16 -","4","1","","Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Photoinduced isomerization-driven structural transformation between decanuclear and octadecanuclear gold(i) sulfido clusters.","Journal of the American Chemical Society","2015","137","10","3506","3509","10.1021/jacs.5b01676","","","0.7499","","","0.0485","0.0483","","","0.1256","0.1259","","","","","","1.024","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123566","13.4765","0.0007","7.6816","0.0005","29.8008","0.0018","90","","90","","90","","3085","0.3","100","2","99.99","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H21 N -","- C19 H21 N -","- C152 H168 N8 -","8","2","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","1.54178","CuKα","","0.043","0.0385","","","0.1005","0.1038","","","","","","1.053","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123579","14.7746","0.0008","11.4265","0.0006","8.8009","0.0004","90","","90","","90","","1485.79","0.13","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","TACN","1,4,7-triazacyclononane","","- C6 H15 N3 -","- C6 H15 N3 -","- C48 H120 N24 -","8","2","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.051","0.0508","","","0.1258","0.1261","","","","","","1.067","","","","has coordinates","138212","2020-10-21","18:00:00",""
"4123620","17.169","0.002","25.297","0.003","9.6723","0.0011","90","","90","","90","","4200.9","0.8","113","","113","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H33 Cl3 Fe Ni P2 S6 -","- C41 H33 Cl3 Fe Ni P2 S6 -","- C164 H132 Cl12 Fe4 Ni4 P8 S24 -","4","1","","Tanushi, Akira; Kusamoto, Tetsuro; Hattori, Yohei; Takada, Kenji; Nishihara, Hiroshi","Spin-reconstructed proton-coupled electron transfer in a ferrocene-nickeladithiolene hybrid.","Journal of the American Chemical Society","2015","137","20","6448","6451","10.1021/jacs.5b02118","","","0.7107","MoKα","","","0.0257","","","","0.0573","","","","","","1.078","","","","has coordinates","138221","2020-10-21","18:00:00",""
"4123676","7.3179","0.0006","23.2967","0.0017","14.4155","0.0013","90","","90","","90","","2457.6","0.3","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C36 H24 -","- C36 H24 -","- C144 H96 -","4","1","","Mohamed, Rana K.; Mondal, Sayantan; Gold, Brian; Evoniuk, Christopher J.; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Alkenes as alkyne equivalents in radical cascades terminated by fragmentations: overcoming stereoelectronic restrictions on ring expansions for the preparation of expanded polyaromatics.","Journal of the American Chemical Society","2015","137","19","6335","6349","10.1021/jacs.5b02373","","","0.71073","MoKα","","0.0721","0.0532","","","0.1372","0.1503","","","","","","1.013","","","","has coordinates","138249","2020-10-21","18:00:00",""
"4123762","33.477","0.004","36.36","0.004","20.252","0.002","90","","90","","90","","24651","5","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C148 H172 N41.3 O73.1 Pd6 -","- C148 H172 N41.296 O73.096 Pd6 -","- C592 H688 N165.184 O292.384 Pd24 -","4","1","","Takezawa, Hiroki; Akiba, Shouta; Murase, Takashi; Fujita, Makoto","Cavity-Directed Chromism of Phthalein Dyes.","Journal of the American Chemical Society","2015","137","22","7043","7046","10.1021/jacs.5b03618","","","0.71073","MoKα","","0.0906","0.074","","","0.2011","0.2217","","","","","","1.08","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123911","21.8109","0.001","16.5511","0.0008","15.7831","0.0007","90","","90","","90","","5697.6","0.5","100","","99.8","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H70 Cl3 F6 N10 P Ru2 -","- C56 H70 Cl3 F6 N10 P Ru2 -","- C224 H280 Cl12 F24 N40 P4 Ru8 -","4","1","","Filonenko, Georgy A.; Aguila, Mae Joanne B.; Schulpen, Erik N.; van Putten, Robbert; Wiecko, Jelena; Müller, Christian; Lefort, Laurent; Hensen, Emiel J. M.; Pidko, Evgeny A.","Bis-N-heterocyclic Carbene Aminopincer Ligands Enable High Activity in Ru-Catalyzed Ester Hydrogenation.","Journal of the American Chemical Society","2015","137","24","7620","7623","10.1021/jacs.5b04237","","","0.71073","MoKα","","0.0508","0.0346","","","0.0644","0.0692","","","","","","1.021","","","","has coordinates","140027","2020-10-21","18:00:00",""
"4123992","13.6","","6.81","","11.77","","90","","90","","90","","1090.09","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","((H2 N)2 (Fe (C O)3)2)","","- C6 H4 Fe2 N2 O6 -","- C6 Fe2 N2 O6 -","- C24 Fe8 N8 O24 -","4","1","","Bahl, L.F.; Costello, W.R.; King, R.B.","The molecular configuration of (H2 N Fe (C O)3)2 and its Identity with the previously reported (H N Fe (C O)3)2. The influence of bridged ligands on the basic geometry of an organometallic complex containing a strong metal-metal bond","Journal of the American Chemical Society","1968","90","","5422","5429","","","","","","","","","","","","","","","","","","","","","","has coordinates","150428","2020-10-21","18:00:00",""
"4124131","25.354","0.0006","32.8324","0.0008","12.7608","0.0003","90","","90","","90","","10622.5","0.4","100","1","100","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C110 H160 K2 N6 O2 P4 Ti2 -","- C110 H160 K2 N6 O2 P4 Ti2 -","- C440 H640 K8 N24 O8 P16 Ti8 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.05","0.0445","","","0.1153","0.1197","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124169","18.3829","0.0008","25.4115","0.001","8.7163","0.0003","90","","90","","90","","4071.7","0.3","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H68 Ce Cl N5 Si6 -","- C25 H68 Ce Cl N5 Si6 -","- C100 H272 Ce4 Cl4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0214","0.0193","","","0.0438","0.0447","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124319","10.686","","8.686","","11.351","","90","","90","","90","","1053.58","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- B12 H16 -","- B12 H16 -","- B48 H64 -","4","1","","Brewer, C.T.; Grimes, R.N.","Metal-induced oxidative fusion of boranes. Synthesis of B12 H16, the first neutral dodecaborane","Journal of the American Chemical Society","1984","106","","2722","2723","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124357","22.587","0.005","10.845","0.002","10.947","0.002","90","","90","","90","","2681.5","0.9","93","","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H35 N3 O Pd -","- C31 H35 N3 O Pd -","- C124 H140 N12 O4 Pd4 -","4","1","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0473","0.041","","","0.0858","0.0901","","","","","","1.045","","","","has coordinates","154253","2020-10-21","18:00:00",""
"4124566","9.2388","0.0004","14.9261","0.0007","7.4031","0.0003","90","","90","","90","","1020.88","0.08","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","YS4-053","hartwig85","","- C13 H15 N -","- C13 H15 N -","- C52 H60 N4 -","4","1","","Schramm, York; Takeuchi, Makoto; Semba, Kazuhiko; Nakao, Yoshiaki; Hartwig, John F.","Anti-Markovnikov Hydroheteroarylation of Unactivated Alkenes with Indoles, Pyrroles, Benzofurans, and Furans Catalyzed by a Nickel-N-Heterocyclic Carbene System.","Journal of the American Chemical Society","2015","137","38","12215","12218","10.1021/jacs.5b08039","","","1.54178","CuKα","","0.0315","0.0309","","","0.0828","0.0833","","","","","","1.04","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4124799","6.63","","11.31","","16.25","","90","","90","","90","","1218.51","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Pb (N3)2","","- N6 Pb -","- N6 Pb -","- N72 Pb12 -","12","3","","Glen, G.L.","A neutron diffraction study of alpha-lead azide","Journal of the American Chemical Society","1963","85","","3892","3894","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124836","12.3619","0.0008","14.2625","0.001","15.1193","0.001","90","","90","","90","","2665.7","0.3","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H37 F3 O4 S Si2 Ti -","- C23 H37 F3 O4 S Si2 Ti -","- C92 H148 F12 O16 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0285","0.0259","","","0.0669","0.0686","","","","","","1.072","","","","has coordinates","173469","2020-10-21","18:00:00",""
"4124837","12.7082","0.0002","13.9806","0.0002","14.9119","0.0002","90","","90","","90","","2649.37","0.07","170","2","170","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H36 F3 O3 S Si2 Ti -","- C23 H36 F3 O3 S Si2 Ti -","- C92 H144 F12 O12 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0505","0.0414","","","0.1084","0.1167","","","","","","1.039","","","","has coordinates","173470","2020-10-21","18:00:00",""
"4124881","15.285","0.005","17.908","0.005","8.083","0.002","90","","90","","90","","2212.5","1.1","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H27 F3 N O P -","- C23 H27 F3 N O P -","- C92 H108 F12 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0566","0.0507","","","0.1439","0.1565","","","","","","1.097","","","","has coordinates","175680","2020-10-21","18:00:00",""
"4124952","20.9744","0.0009","14.6729","0.0007","13.7649","0.0008","90","","90","","90","","4236.2","0.4","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C39 H60 F3 Fe N2 O3 P3 S Si -","- C39 H60 F3 Fe N2 O3 P3 S Si -","- C156 H240 F12 Fe4 N8 O12 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0367","0.0321","","","0.0766","0.0786","","","","","","1.061","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4125150","12.788","0.0012","10.8486","0.0008","9.2601","0.001","90","","90","","90","","1284.7","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H16 B10 N2 -","- C6 H16 B10 N2 -","- C24 H64 B40 N8 -","4","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","","x-ray","0.71073","MoKα","","0.0387","0.0345","","","0.0856","0.0877","","","","","","1.097","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125201","16.638","0.0007","5.481","0.0003","33.4803","0.0015","90","","90","","90","","3053.2","0.3","125","","125","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H15 F3 -","- C21 H15 F3 -","- C168 H120 F24 -","8","2","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","1.54178","CuKα","","0.0572","0.0481","","","0.1186","0.1244","","","","","","1.05","","","","has coordinates","187894","2020-10-21","18:00:00",""
"4125284","8.7705","0.0003","11.8484","0.0005","16.7993","0.0006","90","","90","","90","","1745.72","0.11","150","2","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H26 O2 Si -","- C18 H26 O2 Si -","- C72 H104 O8 Si4 -","4","1","","Xue, Weichao; Qu, Zheng-Wang; Grimme, Stefan; Oestreich, Martin","Copper-Catalyzed Cross-Coupling of Silicon Pronucleophiles with Unactivated Alkyl Electrophiles Coupled with Radical Cyclization.","Journal of the American Chemical Society","2016","138","43","14222","14225","10.1021/jacs.6b09596","","x-ray","1.54184","CuKα","","0.0387","0.0345","","","0.0816","0.0912","","","","","","1.057","","","","has coordinates","187909","2020-10-21","18:00:00",""
"4125390","17.958","0.0003","8.561","0.0006","18.156","0.0007","90","","90","","90","","2791.3","0.2","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","FePrPrAmideData3","'FePrPrAmideData3'","","- C23 H47 Fe N4 O2 S2 -","- C23 H47 Fe N4 O2 S2 -","- C92 H188 Fe4 N16 O8 S8 -","4","1","","Villar-Acevedo, Gloria; Lugo-Mas, Priscilla; Blakely, Maike N.; Rees, Julian A.; Ganas, Abbie S.; Hanada, Erin M.; Kaminsky, Werner; Kovacs, Julie A.","Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate.","Journal of the American Chemical Society","2017","139","1","119","129","10.1021/jacs.6b03512","","","0.71073","MoKα","","0.0868","0.0477","","","0.1075","0.1219","","","","","","0.94","","","","has coordinates","193471","2020-10-21","18:00:00",""
"4125431","6.7725","0.0007","13.8233","0.0013","11.1737","0.0018","90","","90","","90","","1046.1","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","0.71073","MoKα","","0.0386","0.0308","","","0.0765","0.0822","","","","","","1.0374","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"4125432","26.797","0.004","8.5062","0.0012","5.7903","0.0009","90","","90","","90","","1319.8","0.3","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H21 N -","- C16 H21 N -","- C64 H84 N4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0552","0.0485","","","0.1193","0.1258","","","","","","1.044","","","","has coordinates,has disorder","193491","2020-10-21","18:00:00",""
"4125537","17.067","0.0008","12.9148","0.0006","8.7358","0.0005","90","","90","","90","","1925.52","0.17","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","Co(14-TMC)(NO3)2","","","- C14 H32 Co N6 O6 -","- C14 H32 Co N6 O6 -","- C56 H128 Co4 N24 O24 -","4","1","","Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee","Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.","Journal of the American Chemical Society","2017","139","6","2234","2244","10.1021/jacs.6b09681","","","0.71073","MoKa","","0.0925","0.0574","","","0.1431","0.1634","","","","","","1.048","","","","has coordinates","193510","2020-10-21","18:00:00",""
"4125569","10.16777","0.00007","13.46789","0.0001","10.1804","0.0001","90","","90","","90","","1394.09","0.02","100","0.3","100","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H22 N2 Se -","- C13 H22 N2 Se -","- C52 H88 N8 Se4 -","4","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","","0.03","0.0299","","","0.0804","0.0805","","","","","","1.088","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125572","20.94407","0.00019","9.68682","0.0001","6.187","0.00006","90","","90","","90","","1255.23","0.02","99.9","0.4","99.9","0.4","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H22 N2 Se -","- C11 H22 N2 Se -","- C44 H88 N8 Se4 -","4","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","","0.04","0.0394","","","0.099","0.1001","","","","","","1.034","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125574","13.4556","0.0014","20.0405","0.0006","6.243","0.002","90","","90","","90","","1683.5","0.6","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H30 N2 Se -","- C15 H30 N2 Se -","- C60 H120 N8 Se4 -","4","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","","","0.71073","MoKα","","0.039","0.0303","","","0.0677","0.0702","","","","","","1.028","","","","has coordinates,has disorder","193512","2020-10-21","18:00:00",""
"4126085","17.7958","0.001","16.933","0.0009","6.5073","0.0003","90","","90","","90","","1960.89","0.18","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H33 N -","- C22 H33 N -","- C88 H132 N4 -","4","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","","","0.71073","MoKα","","0.0497","0.0371","","","0.0832","0.0893","","","","","","1.064","","","","has coordinates,has disorder","197166","2020-10-21","18:00:00",""
"4126229","19.0517","0.0007","13.3595","0.0004","15.4892","0.0006","90","","90","","90","","3942.3","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl N O3 Xe -","- C8 H20 Cl N O3 Xe -","- C96 H240 Cl12 N12 O36 Xe12 -","12","3","","Goettel, James T.; Haensch, Veit; Schrobilgen, Gary J.","Stable Chloro- and Bromoxenate Cage Anions; [X3(XeO3)3](3-) and [X4(XeO3)4](4-) (X = Cl or Br).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04067","","","0.71073","MoKα","","0.0706","0.0454","","","0.0885","0.0979","","","","","","1.051","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4126281","9.198","0.0002","27.5739","0.0019","14.0441","0.0003","90","","90","","90","","3561.9","0.3","85","","85","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C108 H232 B12 F12 K4 N12 O32 -","- C108 H232 B12 F12 K4 N12 O32 -","- C108 H232 B12 F12 K4 N12 O32 -","1","0.25","","Geri, Jacob B.; Szymczak, Nathaniel K.","Recyclable Trifluoromethylation Reagents from Fluoroform","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05408","","","1.54187","CuKα","","0.0341","0.0336","","","0.0834","0.0838","","","","","","1.054","","","","has coordinates","198693","2020-10-21","18:00:00",""
"4126305","14.7008","0.0016","7.6554","0.0008","58.176","0.006","90","","90","","90","","6547.2","1.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H18 F12 O4 -","- C40 H18 F12 O4 -","- C320 H144 F96 O32 -","8","2","","Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; Haas, Terry E.; Müller, Peter; Thomas Iii, Samuel W.","Substituent Effects That Control Conjugated Oligomer Conformation through Non-covalent Interactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00878","","","0.71073","MoKα","","0.0466","0.0448","","","0.122","0.1272","","","","","","1.144","","","","has coordinates","198973","2020-10-21","18:00:00",""
"4126458","17.38","0.0013","14.6516","0.0008","16.6288","0.001","90","","90","","90","","4234.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H66 Cu Li O4 Si2 -","- C40 H66 Cu Li O4 Si2 -","- C160 H264 Cu4 Li4 O16 Si8 -","4","1","","Liu, Liang; Zhu, Miaomiao; Yu, Hai-Tao; Zhang, Wen-Xiong; Xi, Zhenfeng","Organocopper(III) Spiro Complexes: Synthesis, Structural Characterization, and Redox Transformation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08803","","","0.7107","MoKα","","0.1375","0.0835","","","0.1955","0.2348","","","","","","1.025","","","","has coordinates","201258","2020-10-21","18:00:00",""
"4126505","8.5558","0.0004","22.537","0.0009","7.9861","0.0003","90","","90","","90","","1539.9","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.0486","0.0435","","","0.1044","0.1077","","","","","","1.033","","","","has coordinates","201466","2020-10-21","18:00:00",""
"4126743","25.629","0.009","18.192","0.007","14.314","0.004","90","","90","","90","","6674","4","100","2","100.01","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C65 H31 B Cl2 F34 Ir N5 O1.34 -","- C65 H31 B Cl2 F34 Ir N5 O1.333 -","- C260 H124 B4 Cl8 F136 Ir4 N20 O5.332 -","4","1","","Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10586","","x-ray","0.71073","MoKα","","0.0427","0.0321","","","0.074","0.0763","","","","","","1.033","","","","has coordinates,has disorder","203356","2020-10-21","18:00:00",""
"4126845","8.234","0.002","41.49","0.011","5.9199","0.0016","90","","90","","90","","2022.4","0.9","125","","125","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 P2 -","- C24 H28 P2 -","- C96 H112 P8 -","4","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","1.54187","CuKα","","","0.0547","","","","0.1354","","","","","","1.103","","","","has coordinates","204250","2020-10-21","18:00:00",""
"4127015","23.5545","0.0007","6.98845","0.00019","11.5542","0.0003","90","","90","","90","","1901.93","0.09","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H22 B20 S2 -","- C4 H22 B20 S2 -","- C16 H88 B80 S8 -","4","1","","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","","0.0484","0.0471","","","0.1206","0.122","","","","","","1.043","","","","has coordinates","205088","2020-10-21","18:00:00",""
"4127085","14.7162","0.0009","5.1614","0.0002","9.5143","0.0005","90","","90","","90","","722.67","0.06","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Mg Na O7 P2 Rb -","- Mg Na O7 P2 Rb -","- Mg4 Na4 O28 P8 Rb4 -","4","1","","Zhao, Sangen; Yang, Xiaoyan; Yang, Yi; Kuang, Xiaojun; Lu, Fengqi; Shan, Pai; Sun, Zhihua; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Non-Centrosymmetric RbNaMgP2O7 with Unprecedented Thermo-Induced Enhancement of Second Harmonic Generation.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12518","","","0.71073","MoKα","","0.0331","0.0288","","","0.0646","0.0671","","","","","","1.072","","","","has coordinates","205589","2020-10-21","18:00:00",""
"4127095","7.522","0.0003","28.664","0.0007","9.5331","0.0003","90","","90","","90","","2055.44","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H19 I N2 O -","- C26 H19 I N2 O -","- C104 H76 I4 N8 O4 -","4","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.038","0.0314","","","0.0673","0.07","","","","","","1.002","","","","has coordinates","205784","2020-10-21","18:00:00",""
"4127238","19.107","0.0014","12.1469","0.0008","17.3938","0.0011","90","","90","","90","","4036.9","0.5","130","2","130","2","","","","","","","","7","P n a 21","P 2c -2n","33","","2a","","- C39 H41 F6 Mo N3 O7 S2 -","- C39 H41 F6 Mo N3 O7 S2 -","- C156 H164 F24 Mo4 N12 O28 S8 -","4","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0576","0.0353","","","0.0587","0.063","","","","","","1.02","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127239","22.397","0.0012","18.0764","0.001","11.9381","0.0007","90","","90","","90","","4833.2","0.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","5","","- C44 H51 Cl2 F6 Mo N3 O6 S2 -","- C44 H51 Cl2 F6 Mo N3 O6 S2 -","- C176 H204 Cl8 F24 Mo4 N12 O24 S8 -","4","1","","Herz, Katharina; Podewitz, Maren; Stöhr, Laura; Wang, Dongren; Frey, Wolfgang; Liedl, Klaus R.; Sen, Suman; Buchmeiser, Michael R.","Mechanism of Olefin Metathesis with Neutral and Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes.","Journal of the American Chemical Society","2019","141","20","8264","8276","10.1021/jacs.9b02092","","","0.71073","MoKα","","0.0519","0.0437","","","0.1142","0.1202","","","","","","1.042","","","","has coordinates","223203","2020-10-21","18:00:00",""
"4127466","19.122","0.009","18.204","0.005","24.698","0.006","90","","90","","90","","8597","5","100","2","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C91 H99 F3 Fe4 N15 O11 S -","- C91 H99 F3 Fe4 N15 O11 S -","- C364 H396 F12 Fe16 N60 O44 S4 -","4","1","","Reed, Christopher J.; Agapie, Theodor","A Terminal Fe<sup>III</sup>-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity.","Journal of the American Chemical Society","2019","141","24","9479","9484","10.1021/jacs.9b03157","","","1.54178","CuKα","","0.0942","0.073","","","0.1346","0.144","","","","","","1.061","","","","has coordinates","220738","2020-10-21","18:00:00",""
"4127627","13.4604","0.0014","11.9775","0.0012","10.635","0.0011","90","","90","","90","","1714.6","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Chen, Ming; Dong, Guangbin","Copper-Catalyzed Desaturation of Lactones, Lactams, and Ketones under pH-Neutral Conditions.","Journal of the American Chemical Society","2019","141","37","14889","14897","10.1021/jacs.9b07932","","","0.71073","MoKα","","0.058","0.0388","","","0.0706","0.0772","","","","","","1.021","","","","has coordinates","220833","2020-10-21","18:00:00",""
"4127715","23.2194","0.001","7.852","0.0003","7.3545","0.0003","90","","90","","90","","1340.86","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0369","0.0346","","","0.0898","0.0913","","","","","","1.051","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127739","23.5865","0.0016","24.6752","0.0009","8.9356","0.0003","90","","90","","90","","5200.5","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H58 Cl2 N4 O Si3 -","- C45 H58 Cl2 N4 O Si3 -","- C180 H232 Cl8 N16 O4 Si12 -","4","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias","Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.","Journal of the American Chemical Society","2019","141","32","12916","12927","10.1021/jacs.9b06603","","","1.54184","CuKα","","0.1171","0.0637","","","0.1219","0.1476","","","","","","0.947","","","","has coordinates","220917","2020-10-21","18:00:00",""
"4127791","15.387","0.006","3.6524","0.0016","12.755","0.006","90","","90","","90","","716.8","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H5 K Li N3 O5 -","- C3 K Li N3 O5 -","- C12 K4 Li4 N12 O20 -","4","1","","Lin, Donghong; Luo, Min; Lin, Chensheng; Xu, Feng; Ye, Ning","KLi(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)·2H<sub>2</sub>O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal.","Journal of the American Chemical Society","2019","141","8","3390","3394","10.1021/jacs.8b13280","","","0.71073","MoKα","","0.0287","0.0282","","","0.0803","0.0806","","","","","","1.001","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4127817","18.2555","0.0014","10.0709","0.0006","9.1697","0.0006","90","","90","","90","","1685.8","0.2","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H23 B N2 O4 -","- C14 H23 B N2 O4 -","- C56 H92 B4 N8 O16 -","4","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","","0.0712","0.0525","","","0.1305","0.1473","","","","","","1.052","","","","has coordinates","220989","2020-10-21","18:00:00",""
"4127933","32.577","0.002","9.197","0.0006","14.4155","0.0009","90","","90","","90","","4319","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H49 N2 O9 P5 -","- C43 H49 N2 O9 P5 -","- C172 H196 N8 O36 P20 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","0.71073","MoKα","","0.0373","0.0334","","","0.0775","0.0794","","","","","","1.037","","","","has coordinates,has disorder","221091","2020-10-21","18:00:00",""
"4127974","33.78","0.03","12.772","0.011","22.14","0.03","90","","90","","90","","9552","18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H68 Al N2 O P -","- C55 H68 Al N2 O P -","- C440 H544 Al8 N16 O8 P8 -","8","2","","Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.","Phosphaaluminirenes: Synthons for Main Group Heterocycles.","Journal of the American Chemical Society","2019","141","42","16971","16982","10.1021/jacs.9b09330","","","0.71073","MoKα","","0.1543","0.0847","","","0.1939","0.2354","","","","","","1.017","","","","has coordinates,has disorder","221117","2020-10-21","18:00:00",""
"4128021","16.012","0.003","15.318","0.003","5.595","0.0011","90","","90","","90","","1372.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","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","","","0.73","synchrotron","","0.0449","0.0428","","","0.1125","0.1142","","","","","","1.094","","","","has coordinates","221160","2020-10-21","18:00:00",""
"4128070","12.6094","0.0006","9.4862","0.0005","8.0894","0.0003","90","","90","","90","","967.62","0.08","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H12 Cl N O5 -","- C7 H12 Cl N O4.9999 -","- C28 H48 Cl4 N4 O19.9996 -","4","1","","Yang, Chen-Kai; Chen, Wang-Nan; Ding, Yan-Ting; Wang, Jing; Rao, Yin; Liao, Wei-Qiang; Xie, Yongfa; Zou, Wennan; Xiong, Ren-Gen","Directional Intermolecular Interactions for Precise Molecular Design of a High- T<sub>c</sub> Multiaxial Molecular Ferroelectric.","Journal of the American Chemical Society","2019","141","4","1781","1787","10.1021/jacs.8b13223","","","0.71073","MoKα","","0.1099","0.1074","","","0.2924","0.2953","","","","","","1.083","","","","has coordinates","221201","2020-10-21","18:00:00",""
"4128105","13.4569","0.0004","12.842","0.0005","9.2876","0.0004","90","","90","","90","","1605.02","0.1","120","","120","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H27 N5 -","- C15 H27 N5 -","- C60 H108 N20 -","4","1","","Dale, Harvey J. A.; Hodges, George R.; Lloyd-Jones, Guy C","Taming Ambident Triazole Anions: Regioselective Ion Pairing Catalyzes Direct N-Alkylation with Atypical Regioselectivity.","Journal of the American Chemical Society","2019","141","17","7181","7193","10.1021/jacs.9b02786","","x-ray","0.71073","MoKα","","0.0414","0.039","","","0.0941","0.0955","","","","","","1.07","","","","has coordinates","221235","2020-10-21","18:00:00",""
"4128235","18.4306","0.0002","21.7192","0.0002","26.7317","0.0003","90","","90","","90","","10700.6","0.19","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C63 H15 Mo9 N6 O31 P -","- C63 H15 Mo9 N6 O31 P -","- C252 H60 Mo36 N24 O124 P4 -","4","1","","Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands.","Journal of the American Chemical Society","2019","141","19","7687","7692","10.1021/jacs.9b02541","","","0.71069","MoKα","","0.0603","0.0538","","","0.1612","0.1689","","","","","","1.068","","","","has coordinates","221363","2020-10-21","18:00:00",""
"4128360","15.689","0.003","3.7585","0.0008","12.759","0.002","90","","90","","90","","752.4","0.2","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C3 H4 Cs0 Li N3 O5 Rb -","- C3 H4 Li N3 O5 Rb -","- C12 H16 Li4 N12 O20 Rb4 -","4","1","","Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming","How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.","Journal of the American Chemical Society","2019","141","40","16151","16159","10.1021/jacs.9b08851","","","0.71073","MoKα","","0.0619","0.0459","","","0.1029","0.1095","","","","","","1.082","","","","has coordinates","221483","2020-10-21","18:00:00",""
"4128500","15.1003","0.001","8.7723","0.0006","8.7236","0.0005","90","","90","","90","","1155.57","0.13","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Wu, Ju; Dou, Yingchao; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Electrochemical Dearomative 2,3-Difunctionalization of Indoles.","Journal of the American Chemical Society","2019","141","7","2832","2837","10.1021/jacs.8b13371","","","0.71073","MoKα","","0.0742","0.0515","","","0.1279","0.1369","","","","","","1.051","","","","has coordinates","221585","2020-10-21","18:00:00",""
"4128550","9.6272","0.0004","9.1437","0.0004","11.9261","0.0006","90","","90","","90","","1049.83","0.08","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ba2 P6 Si3 -","- Ba2 P6 Si3 -","- Ba8 P24 Si12 -","4","1","","Mark, Justin; Wang, Jian; Wu, Kui; Lo, Jeane Gladys; Lee, Shannon; Kovnir, Kirill","Ba<sub>2</sub>Si<sub>3</sub>P<sub>6</sub>: 1D Nonlinear Optical Material with Thermal Barrier Chains.","Journal of the American Chemical Society","2019","141","30","11976","11983","10.1021/jacs.9b04653","","","0.71073","MoKα","","0.0185","0.0151","","","0.0315","0.0319","","","","","","1.109","","","","has coordinates","221630","2020-10-21","18:00:00",""
"4128567","17.5452","0.0005","11.4903","0.0004","24.4692","0.0008","90","","90","","90","","4933","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H38 O6 -","- C27 H38 O6 -","- C216 H304 O48 -","8","2","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.71073","MoKα","","0.05","0.0395","","","0.0961","0.1018","","","","","","1.045","","","","has coordinates,has disorder","221647","2020-10-21","18:00:00",""
"4128659","27.4401","0.0011","7.2038","0.0003","15.7216","0.0006","90","","90","","90","","3107.7","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H20 B N O2 -","- C17 H20 B N O2 -","- C136 H160 B8 N8 O16 -","8","2","","Rochette, Étienne; Desrosiers, Vincent; Soltani, Yashar; Fontaine, Frédéric-Georges","Isodesmic C-H Borylation: Perspectives and Proof of Concept of Transfer Borylation Catalysis.","Journal of the American Chemical Society","2019","141","31","12305","12311","10.1021/jacs.9b04305","","x-ray","1.34139","GaKα","","0.0969","0.0964","","","0.245","0.2458","","","","","","1.087","","","","has coordinates","221740","2020-10-21","18:00:00",""
"4128877","21.47","0.011","12.655","0.007","7.559","0.004","90","","90","","90","","2053.8","1.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H38 N3 Sc -","- C19 H38 N3 Sc -","- C76 H152 N12 Sc4 -","4","1","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.0967","0.0832","","","0.2017","0.2159","","","","","","1.055","","","","has coordinates","221912","2020-10-21","18:00:00",""
"4129017","12.858","0.002","10.2977","0.0015","29","0.004","90","","90","","90","","3839.8","1","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H23 Br N O7.5 -","- C17 H23 Br N O7.5 -","- C136 H184 Br8 N8 O60 -","8","2","","Hu, Xiaoran; Zeng, Tian; Husic, Corey C.; Robb, Maxwell J.","Mechanically Triggered Small Molecule Release from a Masked Furfuryl Carbonate.","Journal of the American Chemical Society","2019","141","38","15018","15023","10.1021/jacs.9b08663","","","1.54178","CuKα","","0.087","0.0667","","","0.1871","0.2044","","","","","","1.076","","","","has coordinates,has disorder","222024","2020-10-21","18:00:00",""
"4129098","13.6619","0.0005","37.946","0.0014","13.6696","0.0006","90","","90","","90","","7086.5","0.5","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C75 H48 Cu F6 O15 P5 -","- C75 H48 Cu F6 O15 P5 -","- C300 H192 Cu4 F24 O60 P20 -","4","1","","Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.","Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08179","","x-ray","1.34139","GaKα","","0.0835","0.0708","","","0.1874","0.197","","","","","","1.048","","","","has coordinates,has disorder","227719","2020-10-21","18:00:00",""
"4129359","22.9578","0.0005","10.1978","0.0002","24.618","0.0006","90","","90","","90","","5763.5","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H36 Cl2 N2 O Ru -","- C31 H36 Cl2 N2 O Ru -","- C248 H288 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0587","0.0461","","","0.0991","0.1043","","","","","","1.072","","","","has coordinates","240088","2020-10-21","18:00:00",""
"4129398","13.3991","0.0015","13.9186","0.0015","8.42","0.0009","90","","90","","90","","1570.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H22 Br P -","- C15 H22 Br P -","- C60 H88 Br4 P4 -","4","1","","Reichl, Kyle D.; Dunn, Nicole L.; Fastuca, Nicholas J.; Radosevich, Alexander T.","Biphilic Organophosphorus Catalysis: Regioselective Reductive Transposition of Allylic Bromides via P(III)/P(V) Redox Cycling.","Journal of the American Chemical Society","2015","137","16","5292","5295","10.1021/jacs.5b01899","","","0.71073","MoKα","","0.0411","0.0335","","","0.0843","0.0872","","","","","","0.998","","","","has coordinates","240112","2020-10-21","18:00:00",""
"4129451","10.0579","0.0015","25.425","0.004","22.169","0.004","90","","90","","90","","5669.1","1.6","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C35 H38 O3 -","- C35 H38 O3 -","- C280 H304 O24 -","8","2","","Koo, Bon Jun; Huynh, Michael; Halbach, Robert L.; Stubbe, JoAnne; Nocera, Daniel G.","Modulation of Phenol Oxidation in Cofacial Dyads.","Journal of the American Chemical Society","2015","137","37","11860","11863","10.1021/jacs.5b05955","","","0.71073","MoKα","","0.1323","0.0607","","","0.1235","0.15","","","","","","0.971","","","","has coordinates","240166","2020-10-21","18:00:00",""
"4129452","20.447","0.003","14.393","0.0019","10.9118","0.0014","90","","90","","90","","3211.3","0.8","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","holma05","","","- C36 H53 Co N2 O -","- C36 H53 Co N2 O -","- C144 H212 Co4 N8 O4 -","4","1","","Al-Afyouni, Malik H; Suturina, Elizaveta; Pathak, Shubhrodeep; Atanasov, Mihail; Bill, Eckhard; DeRosha, Daniel E.; Brennessel, William W.; Neese, Frank; Holland, Patrick L.","Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex.","Journal of the American Chemical Society","2015","137","33","10689","10699","10.1021/jacs.5b06078","","","0.71073","MoKα","","0.0524","0.0383","","","0.0897","0.096","","","","","","1.014","","","","has coordinates","240167","2020-10-21","18:00:00",""
"4129467","31.239","0.007","14.82","0.004","15.184","0.004","90","","90","","90","","7030","3","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","neijk42","","","- C72 H103 Br Fe O P2 -","- C72 H103 Br Fe O P2 -","- C288 H412 Br4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Kneebone, Jared L.; Snyder, Benjamin E. R.; Neidig, Michael L.","Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides.","Journal of the American Chemical Society","2015","137","35","11432","11444","10.1021/jacs.5b06648","","","0.71073","MoKα","","0.1208","0.0624","","","0.1059","0.1258","","","","","","1.007","","","","has coordinates,has disorder","240182","2020-10-21","18:00:00",""
"4129582","13.2747","0.0002","10.5692","0.0002","26.994","0.0019","90","","90","","90","","3787.3","0.3","85","2","85","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","2","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0357","0.0344","","","0.0838","0.0846","","","","","","1.065","","","","has coordinates","240279","2020-10-21","18:00:00",""
"4129705","15.8192","0.0002","12.8096","0.0002","8.826","0.0001","90","","90","","90","","1788.48","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.024","0.0237","","","0.0632","0.0634","","","","","","1.07","","","","has coordinates","240375","2020-10-21","18:00:00",""
"4129756","24.313","0.0012","9.277","0.0005","19.2048","0.0011","90","","90","","90","","4331.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H58 N Ni O4 P -","- C51 H58 N Ni O4 P -","- C204 H232 N4 Ni4 O16 P4 -","4","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0215","0.0211","","","0.0576","0.0577","","","","","","1.028","","","","has coordinates","240417","2020-10-21","18:00:00",""
"4129788","31.962","0.003","9.9135","0.0006","12.5334","0.0011","90","","90","","90","","3971.3","0.6","163","2","163","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H42 Cl N2 O P2 Rh -","- C47 H42 Cl N2 O P2 Rh -","- C188 H168 Cl4 N8 O4 P8 Rh4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0442","0.0411","","","0.0897","0.0919","","","","","","1.08","","","","has coordinates,has disorder","240442","2020-10-21","18:00:00",""
"4129880","24.461","0.0008","10.7746","0.0003","20.9554","0.0007","90","","90","","90","","5523","0.3","180","0.1","180","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H72 Cu2 Li2 O2 Si4 -","- C52 H72 Cu2 Li2 O2 Si4 -","- C208 H288 Cu8 Li8 O8 Si16 -","4","1","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0886","0.0561","","","0.1252","0.1432","","","","","","1.016","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129983","25.893","0.005","12.995","0.003","6.5547","0.0014","90","","90","","90","","2205.5","0.8","130","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Liu, Yuesheng; Wang, Lijun; Deng, Liang","Selective Double Carbomagnesiation of Internal Alkynes Catalyzed by Iron-N-Heterocyclic Carbene Complexes: A Convenient Method to Highly Substituted 1,3-Dienyl Magnesium Reagents.","Journal of the American Chemical Society","2016","138","1","112","115","10.1021/jacs.5b12522","","","0.71073","MoKα","","0.0816","0.0557","","","0.111","0.1218","","","","","","1.037","","","","has coordinates","240590","2020-10-21","18:00:00",""
"4130052","10.473","0.009","22.252","0.019","7.486","0.006","90","","90","","90","","1745","3","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H18 Cl2 Fe N2 -","- C17 H18 Cl2 Fe N2 -","- C68 H72 Cl8 Fe4 N8 -","4","1","","Thacker, Nathan C.; Lin, Zekai; Zhang, Teng; Gilhula, James C.; Abney, Carter W.; Lin, Wenbin","Robust and Porous β-Diketiminate-Functionalized Metal-Organic Frameworks for Earth-Abundant-Metal-Catalyzed C-H Amination and Hydrogenation.","Journal of the American Chemical Society","2016","138","10","3501","3509","10.1021/jacs.5b13394","","","0.41328","synchrotronradiation","","0.1104","0.0551","","","0.1016","0.1159","","","","","","1.016","","","","has coordinates,has disorder","240644","2020-10-21","18:00:00",""
"4130053","10.305","0.002","22.491","0.004","7.4571","0.0015","90","","90","","90","","1728.3","0.6","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H18 Cl2 Co N2 -","- C17 H18 Cl2 Co N2 -","- C68 H72 Cl8 Co4 N8 -","4","1","","Thacker, Nathan C.; Lin, Zekai; Zhang, Teng; Gilhula, James C.; Abney, Carter W.; Lin, Wenbin","Robust and Porous β-Diketiminate-Functionalized Metal-Organic Frameworks for Earth-Abundant-Metal-Catalyzed C-H Amination and Hydrogenation.","Journal of the American Chemical Society","2016","138","10","3501","3509","10.1021/jacs.5b13394","","","0.41328","synchrotronradiation","","0.0806","0.0516","","","0.1033","0.1135","","","","","","1.028","","","","has coordinates","240645","2020-10-21","18:00:00",""
"4130205","22.537","0.003","9.9686","0.0011","12.6468","0.0014","90","","90","","90","","2841.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H40 B10 Ir P S2 -","- C18 H40 B10 Ir P S2 -","- C72 H160 B40 Ir4 P4 S8 -","4","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","","0.0295","0.0262","","","0.0601","0.0611","","","","","","1.013","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130325","26.7566","0.001","10.14","0.0003","20.7717","0.0008","90","","90","","90","","5635.6","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C60 H90 B2 Li2 O5 -","- C60 H90 B2 Li2 O5 -","- C240 H360 B8 Li8 O20 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0733","0.058","","","0.1413","0.1494","","","","","","1.021","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130614","23.0081","0.001","20.1658","0.0008","12.8557","0.0006","90","","90","","90","","5964.7","0.4","90","","90","","","","","","","","","9","P n a 21","P 2c -2n","33","","pentamethylcyclopentadienylrhodium(III)phosphoramidatebarf","","- C55 H48 B Cl2 F24 N O3 P Rh -","- C55 H48 B Cl2 F24 N O3 P Rh -","- C220 H192 B4 Cl8 F96 N4 O12 P4 Rh4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","x-ray","0.71073","MoKα","","0.0522","0.0411","","","0.0984","0.1085","","","","","","0.98","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130635","9.9178","0.0012","23.191","0.003","8.899","0.0011","90","","90","","90","","2046.8","0.4","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H27 B2 N O4 -","- C19 H27 B2 N O4 -","- C76 H108 B8 N4 O16 -","4","1","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","","0.71073","MoKα","","0.0659","0.0564","","","0.1325","0.1398","","","","","","1.006","","","","has coordinates,has disorder","241028","2020-10-21","18:00:00",""
"4130768","17.152","0.008","5.834","0.003","13.48","0.006","90","","90","","90","","1348.9","1.1","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0889","0.0595","","","0.1343","0.1489","","","","","","1.016","","","","has coordinates","241136","2020-10-21","18:00:00",""
"4130883","21.1376","0.0003","16.4885","0.0002","7.53055","0.00008","90","","90","","90","","2624.6","0.06","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H15 Au F11 N O3 -","- C24 H9 Au F11 N -","- C96 H36 Au4 F44 N4 -","4","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","","0.0307","0.0252","","","0.0561","0.0581","","","","","","1.065","","","","has coordinates","241241","2020-10-21","18:00:00",""
"4130886","15.4933","0.0003","26.3923","0.0005","4.40199","0.0001","90","","90","","90","","1799.99","0.06","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H12 Au F8 N -","- C20 H12 Au F8 N -","- C80 H48 Au4 F32 N4 -","4","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","","0.0388","0.0339","","","0.0735","0.0756","","","","","","1.11","","","","has coordinates","241244","2020-10-21","18:00:00",""
"4130941","14.2729","0.0005","7.7016","0.0002","12.3179","0.0004","90","","90","","90","","1354.03","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H18 Cl4 Cu N2 -","- C7 H18 Cl4 Cu N2 -","- C28 H72 Cl16 Cu4 N8 -","4","1","","Su, Lebin; Dong, Jianyu; Liu, Long; Sun, Mengli; Qiu, Renhua; Zhou, Yongbo; Yin, Shuang-Feng","Copper Catalysis for Selective Heterocoupling of Terminal Alkynes.","Journal of the American Chemical Society","2016","138","38","12348","12351","10.1021/jacs.6b07984","","","0.71073","MoKα","","0.0244","0.0225","","","0.0538","0.055","","","","","","1.064","","","","has coordinates","241273","2020-10-21","18:00:00",""
"4131053","12.0485","0.0003","19.1202","0.0005","5.4934","0.0001","90","","90","","90","","1265.51","0.05","147","2","147","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","1.54178","CuKα","","0.0216","0.0213","","","0.0553","0.0555","","","","","","1.098","","","","has coordinates","241361","2020-10-21","18:00:00",""
"4131158","17.0516","0.0012","7.5368","0.0001","13.2536","0.0002","90","","90","","90","","1703.28","0.12","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H13 B F6 N7 Ni -","- C13 H13 B F6 N7 Ni -","- C52 H52 B4 F24 N28 Ni4 -","4","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","","","1.54178","CuKα","","0.0266","0.0263","","","0.0636","0.0638","","","","","","1.183","","","","has coordinates","241438","2020-10-21","18:00:00",""
"4131255","24.2958","0.00009","12.25554","0.00004","27.26129","0.0001","90","","90","","90","","8117.27","0.05","80","","80","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C76 H66 B2 F40 Fe N2 P4 -","- C75.9999 H65.9995 B2 F40 Fe N2 P4 -","- C304 H263.998 B8 F160 Fe4 N8 P16 -","4","1","","Geri, Jacob B.; Shanahan, James P.; Szymczak, Nathaniel K.","Testing the Push-Pull Hypothesis: Lewis Acid Augmented N<sub>2</sub> Activation at Iron.","Journal of the American Chemical Society","2017","139","16","5952","5956","10.1021/jacs.7b01982","","x-ray","1.54184","CuKα","","0.0754","0.0753","","","0.1947","0.1949","","","","","","1.079","","","","has coordinates,has disorder","241503","2020-10-21","18:00:00",""
"4131303","34.9141","0.0003","10.9153","0.0001","18.6607","0.0001","90","","90","","90","","7111.55","0.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H88 Cl2 Fe P2 Si8 -","- C54 H88 Cl2 Fe P2 Si8 -","- C216 H352 Cl8 Fe4 P8 Si32 -","4","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7","Synchrotron","","0.0507","0.0447","","","0.1023","0.1082","","","","","","1.072","","","","has coordinates,has disorder","241536","2020-10-21","18:00:00",""
"4131455","11.905","0.003","9.727","0.002","26.288","0.006","90","","90","","90","","3044.1","1.2","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C41 H42 B -","- C41 H42 B -","- C164 H168 B4 -","4","1","","Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro","Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties.","Journal of the American Chemical Society","2017","139","41","14336","14339","10.1021/jacs.7b05471","","","0.71075","MoKa","","0.1056","0.0589","","","0.1137","0.1362","","","","","","1.049","","","","has coordinates","241653","2020-10-21","18:00:00",""
"4131517","14.764","0.003","23.997","0.005","4.0296","0.0008","90","","90","","90","","1427.7","0.5","173.15","","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Gong, Yanjun; Zhang, Yifan; Xiong, Wei; Zhang, Ke; Che, Yanke; Zhao, Jincai","Molecular Interactions Control Quantum Chain Reactions toward Distinct Photoresponsive Properties of Molecular Crystals.","Journal of the American Chemical Society","2017","139","31","10649","10652","10.1021/jacs.7b06261","","","0.71073","MoKα","","0.0525","0.0471","","","0.1049","0.1079","","","","","","1.126","","","","has coordinates","241707","2020-10-21","18:00:00",""
"4131826","17.9397","0.0019","10.0271","0.001","13.5393","0.0014","90","","90","","90","","2435.5","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H26 F6 Fe N4 O7 S2 -","- C17 H26 F6 Fe N4 O7 S2 -","- C68 H104 F24 Fe4 N16 O28 S8 -","4","1","","Fan, Ruixi; Serrano-Plana, Joan; Oloo, Williamson N.; Draksharapu, Apparao; Delgado-Pinar, Estefanía; Company, Anna; Martin-Diaconescu, Vlad; Borrell, Margarida; Lloret-Fillol, Julio; García-España, Enrique; Guo, Yisong; Bominaar, Emile L.; Que, Jr, Lawrence; Costas, Miquel; Münck, Eckard","Spectroscopic and DFT Characterization of a Highly Reactive Nonheme Fe<sup>V</sup>-Oxo Intermediate.","Journal of the American Chemical Society","2018","140","11","3916","3928","10.1021/jacs.7b11400","","","0.71073","MoKα","","0.0264","0.0252","","","0.0614","0.062","","","","","","1.053","","","","has coordinates","241961","2020-10-21","18:00:00",""
"4131886","6.4976","0.0003","14.353","0.0007","24.8911","0.0012","90","","90","","90","","2321.35","0.19","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H23 Au F3 N O2 -","- C26 H23 Au F3 N O2 -","- C104 H92 Au4 F12 N4 O8 -","4","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0533","0.0369","","","0.0767","0.0812","","","","","","1.022","","","","has coordinates,has disorder","241980","2020-10-21","18:00:00",""
"4131887","6.5333","0.0002","14.3788","0.0004","24.7773","0.0012","90","","90","","90","","2327.6","0.15","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H23 Au F3 N O2 -","- C26 H23 Au F3 N O2 -","- C104 H92 Au4 F12 N4 O8 -","4","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0445","0.0331","","","0.0714","0.0754","","","","","","1.055","","","","has coordinates,has disorder","241980","2020-10-21","18:00:00",""
"4131913","19.866","0.003","7.7093","0.0011","22.122","0.003","90","","90","","90","","3388","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H54 Ca2 I2 O6 -","- C26 H54 Ca2 I2 O6 -","- C104 H216 Ca8 I8 O24 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0802","0.0689","","","0.1414","0.1461","","","","","","1.085","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4132112","44.7259","0.0013","26.8344","0.0009","13.927","0.0004","90","","90","","90","","16715.1","0.9","170","2","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H32 Cl2 N6 O2 -","- C34 H32 Cl2 N6 O2 -","- C544 H512 Cl32 N96 O32 -","16","4","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.1465","0.0923","","","0.2626","0.3074","","","","","","0.989","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132137","16.6705","0.0005","8.1102","0.0002","27.7803","0.0007","90","","90","","90","","3755.93","0.17","173","0.1","173","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H27 Cl2 Co N2 P -","- C15 H27 Cl2 Co N2 P -","- C120 H216 Cl16 Co8 N16 P8 -","8","2","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0793","0.0754","","","0.1912","0.1954","","","","","","1.065","","","","has coordinates","242179","2020-10-21","18:00:00",""
"4132148","30.8426","0.0013","15.9684","0.0006","7.0861","0.0004","90","","90","","90","","3490","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H14 Cu F15 N6 -","- C41 H14 Cu F15 N6 -","- C164 H56 Cu4 F60 N24 -","4","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.1046","0.0734","","","0.1605","0.1759","","","","","","1.071","","","","has coordinates","242191","2020-10-21","18:00:00",""
"4132235","23.631","0.002","13.8788","0.0013","18.5349","0.0018","90","","90","","90","","6078.9","1","230","2","230","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C59 H91 Cu3 K N6 O3.5 Se -","- C59 H91 Cu3 K N6 O3.5 Se -","- C236 H364 Cu12 K4 N24 O14 Se4 -","4","1","","Cook, Brian J.; Di Francesco, Gianna N.; Abboud, Khalil A.; Murray, Leslie J.","Countercations and Solvent Influence CO<sub>2</sub> Reduction to Oxalate by Chalcogen-Bridged Tricopper Cyclophanates.","Journal of the American Chemical Society","2018","140","17","5696","5700","10.1021/jacs.8b02508","","","0.71073","MoKα","","0.1421","0.0618","","","0.1324","0.1652","","","","","","0.995","","","","has coordinates,has disorder","242236","2020-10-21","18:00:00",""
"4132236","23.4096","0.0015","13.726","0.0009","18.4332","0.0012","90","","90","","90","","5923","0.7","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C61 H95 Cu3 K N6 O4 S -","- C61 H95 Cu3 K N6 O4 S -","- C244 H380 Cu12 K4 N24 O16 S4 -","4","1","","Cook, Brian J.; Di Francesco, Gianna N.; Abboud, Khalil A.; Murray, Leslie J.","Countercations and Solvent Influence CO<sub>2</sub> Reduction to Oxalate by Chalcogen-Bridged Tricopper Cyclophanates.","Journal of the American Chemical Society","2018","140","17","5696","5700","10.1021/jacs.8b02508","","","0.71073","MoKα","","0.0328","0.0248","","","0.0506","0.0522","","","","","","0.947","","","","has coordinates","242237","2020-10-21","18:00:00",""
"4132437","18.8753","0.0007","10.9829","0.0004","8.5634","0.0003","90","","90","","90","","1775.24","0.11","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 B2 F8 Fe N -","- C14 H20 B2 F8 Fe N -","- C56 H80 B8 F32 Fe4 N4 -","4","1","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","1.54184","CuKα","","0.0548","0.0427","","","0.0987","0.1043","","","","","","1.014","","","","has coordinates","242421","2020-10-21","18:00:00",""
"4132469","21.626","0.003","15.426","0.002","22.964","0.003","90","","90","","90","","7660.9","1.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H99 Au Cl13 N5 O4 -","- C67 H99 Au Cl13 N5 O4 -","- C268 H396 Au4 Cl52 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.047","0.0274","","","0.0526","0.0578","","","","","","1.015","","","","has coordinates","242442","2020-10-21","18:00:00",""
"4132471","21.768","0.003","15.419","0.002","23.157","0.003","90","","90","","90","","7772.4","1.8","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C67 H99 Au Br4 Cl9 N5 O4 -","- C67 H99 Au Br4 Cl9 N5 O4 -","- C268 H396 Au4 Br16 Cl36 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0687","0.0462","","","0.1053","0.1163","","","","","","1.034","","","","has coordinates","242444","2020-10-21","18:00:00",""
"4132581","19.27","0.002","9.9659","0.0012","11.8072","0.0014","90","","90","","90","","2267.5","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H29 Cl2 N3 Ru -","- C22 H29 Cl2 N3 Ru -","- C88 H116 Cl8 N12 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0589","0.044","","","0.0893","0.0952","","","","","","1.09","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132661","19.2348","0.0013","11.0028","0.0007","29.4015","0.0015","90","","90","","90","","6222.4","0.7","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C63 H76 B Cu F3 Fe N5 O7 S -","- C63 H76 B Cu F3 Fe N5 O7 S -","- C252 H304 B4 Cu4 F12 Fe4 N20 O28 S4 -","4","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","","0.0661","0.0504","","","0.1068","0.1115","","","","","","1.061","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132704","37.029","0.0006","11.0822","0.0003","12.0393","0.0002","90","","90","","90","","4940.48","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C212 H256 O48 S8 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0707","0.0517","","","0.1207","0.1324","","","","","","1.018","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132892","8.3744","0.0009","25.699","0.003","9.3187","0.0009","90","","90","","90","","2005.5","0.4","130","","130","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0808","0.0478","","","0.0926","0.1057","","","","","","1.012","","","","has coordinates","242765","2020-10-21","18:00:00",""
"4132989","23.5774","0.0017","14.5959","0.0008","41.157","0.003","90","","90","","90","","14163.5","1.6","173","","173","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C144 H128 B4 Co2 F12 N20 O14 P4 S4 -","- C144 H128 B4 Co2 F12 N20 O14 P4 S4 -","- C576 H512 B16 Co8 F48 N80 O56 P16 S16 -","4","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.1209","0.0872","","","0.2276","0.2676","","","","","","0.979","","","","has coordinates,has disorder","242841","2020-10-21","18:00:00",""
"4133067","10.14479","0.00018","15.77","0.0003","18.0637","0.0003","90","","90","","90","","2889.89","0.09","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H38 F6 Fe N4 O3 S2 -","- C23 H38 F6 Fe N4 O3 S2 -","- C92 H152 F24 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0235","0.0225","","","0.0536","0.0543","","","","","","1.057","","","","has coordinates","242913","2020-10-21","18:00:00",""
"4133091","37.1367","0.0009","11.2491","0.0003","17.4213","0.0004","90","","90","","90","","7277.8","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C81 H57 B F24 Mo N3 P2 -","- C81 H57 B F24 Mo N3 P2 -","- C324 H228 B4 F96 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0334","0.0333","","","0.0861","0.0862","","","","","","1.076","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133139","16.4964","0.0002","20.5023","0.0003","5.05085","0.00007","90","","90","","90","","1708.27","0.04","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N5 O2 -","- C20 H17 N5 O2 -","- C80 H68 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0312","0.0287","","","0.0717","0.0733","","","","","","1.056","","","","has coordinates","242973","2020-10-21","18:00:00",""
"4133206","11.8908","0.0004","14.2458","0.0005","9.8084","0.0003","90","","90","","90","","1661.48","0.1","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H17 F3 O5 S Si -","- C12 H17 F3 O5 S Si -","- C48 H68 F12 O20 S4 Si4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0506","0.0401","","","0.0998","0.1091","","","","","","1.072","","","","has coordinates,has disorder","243043","2020-10-21","18:00:00",""
"4133325","21.5299","0.0019","23.117","0.002","11.3996","0.001","90","","90","","90","","5673.7","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H40 F36 Mo2 O11 -","- C44 H40 F36 Mo2 O11 -","- C176 H160 F144 Mo8 O44 -","4","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0533","0.0478","","","0.1105","0.1134","","","","","","1.13","","","","has coordinates,has disorder","243146","2020-10-21","18:00:00",""
"4133383","30.418","0.018","12.37","0.008","21.063","0.013","90","","90","","90","","7925","8","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H5.5 Br6 Mo6 S20 -","- C9 H5 Br6 Mo6 S20 -","- C36 H20 Br24 Mo24 S80 -","4","1","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.7749","synchrotron","","0.1253","0.0517","","","0.0894","0.1099","","","","","","0.823","","","","has coordinates","243186","2020-10-21","18:00:00",""
"4133430","11.1451","0.0004","16.3538","0.0006","10.6857","0.0004","90","","90","","90","","1947.63","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","ef-89","","","- C22 H17 N O4 S2 -","- C22 H17 N O4 S2 -","- C88 H68 N4 O16 S8 -","4","1","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0461","0.0404","","","0.0986","0.1047","","","","","","1.077","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133479","11.9901","0.0009","13.1211","0.0011","9.2461","0.0006","90","","90","","90","","1454.63","0.19","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C36 H72 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","1.54178","CuKα","","0.13","0.0639","","","0.1465","0.1823","","","","","","1.014","","","","has coordinates","243248","2020-10-21","18:00:00",""
"4133528","8.3118","0.0005","22.2656","0.0012","6.2032","0.0003","90","","90","","90","","1148.01","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 P S -","- C14 H11 P S -","- C56 H44 P4 S4 -","4","1","","Transue, Wesley J.; Nava, Matthew; Terban, Maxwell W.; Yang, Jing; Greenberg, Matthew W.; Wu, Gang; Foreman, Elizabeth S.; Mustoe, Chantal L.; Kennepohl, Pierre; Owen, Jonathan S.; Billinge, Simon J. L.; Kulik, Heather J.; Cummins, Christopher C.","Anthracene as a Launchpad for a Phosphinidene Sulfide and for Generation of a Phosphorus-Sulfur Material Having the Composition P<sub>2</sub>S, a Vulcanized Red Phosphorus That Is Yellow.","Journal of the American Chemical Society","2019","141","1","431","440","10.1021/jacs.8b10775","","","0.71073","MoKα","","0.0288","0.0274","","","0.0666","0.0673","","","","","","1.045","","","","has coordinates","243293","2020-10-21","18:00:00",""
"4133590","22.96","0.005","11.149","0.002","10.666","0.002","90","","90","","90","","2730.3","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H16 Cl N O -","- C15 H16 Cl N O -","- C120 H128 Cl8 N8 O8 -","8","2","","Zhu, Xiaotao; Deng, Weili; Chiou, Mong-Feng; Ye, Changqing; Jian, Wujun; Zeng, Yuehua; Jiao, Yihang; Ge, Liang; Li, Yajun; Zhang, Xinhao; Bao, Hongli","Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide.","Journal of the American Chemical Society","2019","141","1","548","559","10.1021/jacs.8b11499","","","0.71073","MoKα","","0.0947","0.0693","","","0.1588","0.1798","","","","","","1.096","","","","has coordinates","243345","2020-10-21","18:00:00",""
"4133600","8.1411","0.00015","25.1404","0.0005","14.1594","0.0003","90","","90","","90","","2898.01","0.1","123","","123","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","1","","Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto","Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene.","Journal of the American Chemical Society","2019","141","1","560","571","10.1021/jacs.8b11530","","","1.54187","CuKα","","0.112","0.0654","","","0.1515","0.2054","","","","","","1.122","","","","has coordinates","243356","2020-10-21","18:00:00",""
"4133622","16.9668","0.0011","16.6522","0.0012","25.8421","0.0019","90","","90","","90","","7301.3","0.9","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H47 Cl4 N O -","- C38 H47 Cl4 N O -","- C304 H376 Cl32 N8 O8 -","8","2","","Regnier, Vianney; Romero, Erik A.; Molton, Florian; Jazzar, Rodolphe; Bertrand, Guy; Martin, David","What Are the Radical Intermediates in Oxidative N-Heterocyclic Carbene Organocatalysis?","Journal of the American Chemical Society","2019","141","2","1109","1117","10.1021/jacs.8b11824","","x-ray","0.71073","MoKα","","0.0469","0.0361","","","0.0699","0.0749","","","","","","1.026","","","","has coordinates,has disorder","243368","2020-10-21","18:00:00",""
"4133686","17.0644","0.0009","10.4534","0.0006","18.0274","0.0009","90","","90","","90","","3215.7","0.3","100","","100","","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C26 H56 N2 O2 Si3 -","- C26 H56 N2 O2 Si3 -","- C104 H224 N8 O8 Si12 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0376","0.0352","","","0.086","0.0877","","","","","","1.085","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133709","24.586","0.003","10.5567","0.001","20.865","0.002","90","","90","","90","","5415.4","1","123","","123","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H20 Al Br3 N2 O3 Si -","- C29 H20 Al Br3 N2 O3 Si -","- C232 H160 Al8 Br24 N16 O24 Si8 -","8","2","","Tanaka, Daiki; Kadonaga, Yuichiro; Manabe, Yoshiyuki; Fukase, Koichi; Sasaya, Shota; Maruyama, Hikaru; Nishimura, Sota; Yanagihara, Mayu; Konishi, Akihito; Yasuda, Makoto","Synthesis of Cage-Shaped Aluminum Aryloxides: Efficient Lewis Acid Catalyst for Stereoselective Glycosylation Driven by Flexible Shift of Four- to Five-Coordination.","Journal of the American Chemical Society","2019","141","44","17466","17471","10.1021/jacs.9b08875","","","0.71075","MoKα","","0.1262","0.0699","","","0.1371","0.1594","","","","","","0.999","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4133932","10.008","0.0003","19.8705","0.0008","9.1491","0.0002","90","","90","","90","","1819.43","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H26 B N O4 -","- C17 H26 B N O4 -","- C68 H104 B4 N4 O16 -","4","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","","0.0361","0.0347","","","0.0785","0.0792","","","","","","1.09","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133963","16.0633","0.0014","13.4867","0.0011","18.5991","0.0014","90","","90","","90","","4029.3","0.6","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","[mCH]Cu(O2N)(ClO4)2","","","- C35 H49 Cl2 Cu N7 O13 -","- C35 H49 Cl2 Cu N7 O13 -","- C140 H196 Cl8 Cu4 N28 O52 -","4","1","","Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata","Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.","Journal of the American Chemical Society","2020","142","4","1726","1730","10.1021/jacs.9b11597","","","0.71073","MoKα","","0.0734","0.0441","","","0.0785","0.0884","","","","","","1.018","","","","has coordinates","247532","2020-10-21","18:00:00",""
"4133992","28.704","0.009","38.089","0.013","18.042","0.006","90","","90","","90","","19725","11","180","2","179.99","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","- C597 H884 B16 Cl30 F64 N82 O66 Pt24 S24 -","1","0.25","","Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng","Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12309","","","0.71073","MoKα","","0.0537","0.0399","","","0.0957","0.1018","","","","","","1.049","","","","has coordinates","247128","2020-10-21","18:00:00",""
"4134019","18.958","0.002","13.0693","0.0016","43.638","0.005","90","","90","","90","","10812","2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(tBudmx)Cu2(3,5-CF2C6H3)","","- C59 H62 Cu2 F6 N6 O -","- C59 H62 Cu2 F6 N6 O -","- C472 H496 Cu16 F48 N48 O8 -","8","2","","Carsch, Kurtis M.; Lukens, James T.; DiMucci, Ida M.; Iovan, Diana A.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b09616","","","0.71073","MoKα","","0.0865","0.0538","","","0.1135","0.1329","","","","","","1.038","","","","has coordinates,has disorder","247152","2020-10-21","18:00:00",""
"4134180","12.0859","0.0008","14.622","0.0008","11.3077","0.0007","90","","90","","90","","1998.3","0.2","150.1","0.2","150.1","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C104 H96 N16 -","8","2","","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","","0.0753","0.0525","","","0.0929","0.1027","","","","","","1.031","","","","has coordinates","248706","2020-10-21","18:00:00",""
"4134321","7.5394","0.0002","14.4953","0.0005","26.6114","0.0008","90","","90","","90","","2908.25","0.15","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H37 N5 O5 -","- C31 H37 N5 O5 -","- C124 H148 N20 O20 -","4","1","","Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping","Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00553","","","1.54178","CuKα","","0.0598","0.0473","","","0.1142","0.1224","","","","","","1.028","","","","has coordinates","248666","2020-10-21","18:00:00",""
"4134368","27.9293","0.0013","10.4396","0.0005","18.2519","0.0008","90","","90","","90","","5321.7","0.4","113","1","113","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","1,8-di(N-methylpyrid-4-ylium)naphthalene hexafluorophosphate","","- C24 H23 F12 N3 P2 -","- C24 H23 F12 N3 P2 -","- C192 H184 F96 N24 P16 -","8","2","","Gosset, Alexis; Wilbraham, Liam; Lachmanova, Stepanka Novakova; Sokolova, Romana; Dupeyre, Grégory; Tuyèras, Fabien; Ochsenbein, Philippe; Perruchot, Christian; Jacquot de Rouville, Henri-Pierre; Randriamahazaka, Hyacinthe; Pospisil, Lubomir; Ciofini, Ilaria; Hromadová, Magdaléna; Lainé, Philippe P","Electron Storage System Based on a Two-Way Inversion of Redox Potentials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12762","","x-ray","0.71073","MoKα","","0.0545","0.0471","","","0.1452","0.1538","","","","","","1.672","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4134464","28.8906","0.001","7.1178","0.0002","10.2641","0.0003","90","","90","","90","","2110.68","0.11","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H22 Cl8 N2 Zn2 -","- C8 H22 Cl8 N2 Zn2 -","- C32 H88 Cl32 N8 Zn8 -","4","1","","Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan","Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> Ferroelectrics.","Journal of the American Chemical Society","2020","142","13","6236","6243","10.1021/jacs.0c00315","","","0.71073","MoKα","","0.0207","0.0198","","","0.0522","0.0525","","","","","","1","","","","has coordinates","250051","2020-10-21","18:00:00",""
"4134470","7.9411","0.0003","11.3394","0.0005","6.033","0.0003","90","","90","","90","","543.26","0.04","307","2","307","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0507","0.0428","","","0.095","0.0999","","","","","","1.21","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134471","7.9344","0.0003","11.3381","0.0004","6.0281","0.0002","90","","90","","90","","542.29","0.03","280","2","280","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0525","0.0418","","","0.0896","0.095","","","","","","1.14","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4134472","7.9296","0.0003","11.3383","0.0004","6.0243","0.0003","90","","90","","90","","541.63","0.04","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0459","0.0351","","","0.0839","0.0904","","","","","","1.002","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134473","7.9292","0.0002","11.3401","0.0004","6.0235","0.0002","90","","90","","90","","541.62","0.03","252","2","252","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0409","0.0321","","","0.0713","0.076","","","","","","1.089","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134477","7.9345","0.0009","11.0298","0.0013","5.9653","0.0008","90","","90","","90","","522.06","0.11","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.45 K0.39 N1.61 O3 P -","- F H6.268 K0.433 N1.567 O3 P -","- F4 H25.072 K1.732 N6.268 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0518","0.0463","","","0.0979","0.1002","","","","","","1.139","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134478","7.9362","0.0009","11.2076","0.0011","6.0017","0.0007","90","","90","","90","","533.83","0.1","303","2","303","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.13 N1.47 O2.4 P0.8 -","- F0.8 H6.4 K0.128 N1.472 O2.4 P0.8 -","- F4 H32 K0.64 N7.36 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0425","0.0345","","","0.1044","0.1142","","","","","","0.903","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134479","7.9368","0.0004","11.2965","0.0006","6.0229","0.0003","90","","90","","90","","540","0.05","306","2","306","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.04 N1.96 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0442","0.0405","","","0.0941","0.0957","","","","","","1.157","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134480","7.9319","0.0003","11.295","0.0004","6.019","0.0002","90","","90","","90","","539.25","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N2 O3 P -","- F H8 K0.032 N1.968 O3 P -","- F4 H32 K0.128 N7.872 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0445","0.0414","","","0.0925","0.0938","","","","","","1.162","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134481","7.9299","0.0003","11.2968","0.0004","6.0169","0.0002","90","","90","","90","","539.01","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F0.8 H6.4 K0.03 N1.57 O2.4 P0.8 -","- F0.8 H6.4 K0.0304 N1.5696 O2.4 P0.8 -","- F4 H32 K0.152 N7.848 O12 P4 -","5","1.25","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0462","0.0416","","","0.1119","0.1172","","","","","","0.975","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134482","7.9285","0.0003","11.3009","0.0004","6.0152","0.0002","90","","90","","90","","538.96","0.03","240","2","240","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.02 N1.98 O3 P -","- F H8 K0.034 N1.966 O3 P -","- F4 H32 K0.136 N7.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0443","0.0396","","","0.1074","0.1123","","","","","","0.938","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134488","7.9297","0.0011","11.1111","0.0019","5.982","0.001","90","","90","","90","","527.06","0.15","304","2","304","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.29 N1.71 O3 P -","- F H8 K0.284 N1.716 O3 P -","- F4 H32 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0707","0.0601","","","0.1225","0.1267","","","","","","1.155","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134489","7.9247","0.0003","11.1134","0.0004","5.9812","0.0003","90","","90","","90","","526.77","0.04","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.263 N1.737 O3 P -","- F4 H32 K1.052 N6.948 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0661","0.0572","","","0.1063","0.1091","","","","","","1.115","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134490","7.9171","0.0003","11.109","0.0005","5.9766","0.0003","90","","90","","90","","525.65","0.04","220","2","220","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.3 N1.71 O3 P -","- F H8 K0.291 N1.709 O3 P -","- F4 H32 K1.164 N6.836 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0686","0.0551","","","0.1164","0.122","","","","","","1.113","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134491","7.9076","0.0003","11.0973","0.0005","5.9692","0.0003","90","","90","","90","","523.82","0.04","190","2","190","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.28 N1.72 O3 P -","- F H8 K0.28 N1.72 O3 P -","- F4 H32 K1.12 N6.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0725","0.0622","","","0.1256","0.1298","","","","","","1.146","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134492","7.9057","0.0003","11.0964","0.0004","5.9676","0.0002","90","","90","","90","","523.51","0.03","170","2","170","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.89 K0.28 N1.72 O3 P -","- F H6.892 K0.277 N1.723 O3 P -","- F4 H27.568 K1.108 N6.892 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0733","0.0612","","","0.1123","0.1166","","","","","","1.151","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134493","7.9048","0.0003","11.0997","0.0005","5.9682","0.0002","90","","90","","90","","523.66","0.04","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H6.86 K0.28 N1.72 O3 P -","- F H6.864 K0.284 N1.716 O3 P -","- F4 H27.456 K1.136 N6.864 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0724","0.0604","","","0.1106","0.1148","","","","","","1.119","","","","has coordinates,has disorder","250063","2020-10-21","18:00:00",""
"4134497","7.9303","0.0004","10.8767","0.0007","5.933","0.0003","90","","90","","90","","511.75","0.05","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H5.27 K0.68 N1.32 O3 P -","- F H5.272 K0.682 N1.318 O3 P -","- F4 H21.088 K2.728 N5.272 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0843","0.0768","","","0.1381","0.141","","","","","","1.26","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134498","7.9395","0.0013","11.3139","0.0019","6.0289","0.0009","90","","90","","90","","541.56","0.15","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.03 N1.97 O3 P -","- F4 H32 K0.12 N7.88 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0555","0.05","","","0.1312","0.1351","","","","","","0.99","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134499","7.9325","0.0002","11.313","0.0003","6.0242","0.0002","90","","90","","90","","540.61","0.03","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.01 N1.99 O3 P -","- F H8 K0.02 N1.98 O3 P -","- F4 H32 K0.08 N7.92 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0391","0.0349","","","0.0825","0.0843","","","","","","1.124","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134500","7.9299","0.0002","11.3151","0.0003","6.0217","0.0002","90","","90","","90","","540.31","0.03","260","2","260","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F H8 K0.03 N1.97 O3 P -","- F H8 K0.026 N1.974 O3 P -","- F4 H32 K0.104 N7.896 O12 P4 -","4","1","","Pan, Chun-Ya; Yang, Xin-Rui; Xiong, Lin; Lu, Zhong-Wei; Zhen, Bo-Yu; Sui, Xin; Deng, Xue-Bin; Chen, Ling; Wu, Li-Ming","Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable <i>T</i><sub>c</sub>.","Journal of the American Chemical Society","2020","142","13","6423","6431","10.1021/jacs.0c01741","","","0.71073","MoKα","","0.0453","0.0416","","","0.1049","0.1067","","","","","","1.149","","","","has coordinates","250063","2020-10-21","18:00:00",""
"4134516","32.117","0.015","12.282","0.006","8.293","0.004","90","","90","","90","","3271","3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H20 Au2 Cl6 N2 O2 -","- C26 H20 Au2 Cl6 N2 O2 -","- C104 H80 Au8 Cl24 N8 O8 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Øien-Ødegaard, Sigurd; Vanderkooy, Alan; Gupta, Arvind Kumar; Carlsson, Anna-Carin C; Orthaber, Andreas; Fiksdahl, Anne; Pápai, Imre; Erdélyi, Máté","Catalytic Activity of <i>trans</i>-Bis(pyridine)gold Complexes.","Journal of the American Chemical Society","2020","142","13","6439","6446","10.1021/jacs.0c01941","","","0.71073","MoKα","","0.0947","0.0686","","","0.1449","0.1566","","","","","","1.03","","","","has coordinates","250062","2020-10-21","18:00:00",""
"4134568","29.597","0.003","14.1253","0.0012","29.688","0.003","90","","90","","90","","12412","2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C104 H142 B4 F16 Fe4 N26 O10 -","- C104 H142 B4 F16 Fe4 N26 O10 -","- C416 H568 B16 F64 Fe16 N104 O40 -","4","1","","Jana, Manish; White, Corey J.; Pal, Nabhendu; Demeshko, Serhiy; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit","Functional Models for the Mono- and Di-nitrosyl Intermediates of FNORs: Semireduction versus Superreduction of NO.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13795","","x-ray","0.71073","MoKα","","0.085","0.0596","","","0.1446","0.1645","","","","","","1.023","","","","has coordinates,has disorder","249791","2020-10-21","18:00:00",""
"4134622","8.4672","0.0004","11.1265","0.0006","7.9409","0.0004","90","","90","","90","","748.11","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H8 N8 O2 -","- C3 H8 N8 O2 -","- C12 H32 N32 O8 -","4","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","","","0.71073","MoKα","","0.0402","0.0333","","","0.0831","0.087","","","","","","1.062","","","","has coordinates","250413","2020-10-21","18:00:00",""
"4134676","20.539","0.0019","14.8908","0.0014","15.0531","0.0015","90","","90","","90","","4603.9","0.8","100","2","99.93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Zr -","- C20 H18 Cu F6 N4 O2.5 Zr -","- C160 H144 Cu8 F48 N32 O20 Zr8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0341","0.0317","","","0.0785","0.08","","","","","","1.044","","","","has coordinates,has disorder","251456","2020-10-21","18:00:00",""
"4134677","20.555","0.0007","14.8898","0.0005","15.0487","0.0005","90","","90","","90","","4605.8","0.3","100","2","100.04","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 Hf N4 O2.5 -","- C20 H18 Cu F6 Hf N4 O2.5 -","- C160 H144 Cu8 F48 Hf8 N32 O20 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0304","0.0248","","","0.0503","0.052","","","","","","1.042","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134680","20.3754","0.0006","14.6737","0.0005","14.8668","0.0005","90","","90","","90","","4444.9","0.2","100","","100.07","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H18 Cu F6 N4 O2.5 Ti -","- C20 H18 Cu F6 N4 O2.5 Ti -","- C160 H144 Cu8 F48 N32 O20 Ti8 -","8","2","","Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","Machine-Learning-Assisted Synthesis of Polar Racemates.","Journal of the American Chemical Society","2020","142","16","7555","7566","10.1021/jacs.0c01239","","","0.71073","MoKα","","0.0688","0.0424","","","0.0902","0.1021","","","","","","1.028","","","","has coordinates","251456","2020-10-21","18:00:00",""
"4134768","17.4021","0.0016","22.787","0.002","11.8185","0.001","90","","90","","90","","4686.5","0.7","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43.5 H36 Au2 Cl3 N3 P2 S -","- C43.5 H36 Au2 Cl3 N3 P2 S -","- C174 H144 Au8 Cl12 N12 P8 S4 -","4","1","","Zeman, Charles J.; Shen, Yu-Hsuan; Heller, Jessica; Abboud, Khalil A.; Schanze, Kirk S.; Veige, Adam S.","Excited State Turn-On of Aurophilicity and Tunability of Relativistic Effects in a Series of Digold Triazolates Synthesized via iClick.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01624","","","0.71073","MoKα","","0.0488","0.0377","","","0.0933","0.0989","","","","","","1.067","","","","has coordinates,has disorder","251036","2020-10-21","18:00:00",""
"4134787","30.437","0.002","16.9734","0.0011","15.1227","0.0011","90","","90","","90","","7812.7","0.9","99.96","","99.96","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C79 H124 Br0.19 Co2 N10.3 -","- C79 H124 Br0.195 Co2 N10.29 -","- C316 H496 Br0.78 Co8 N41.16 -","4","1","","Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye","Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00291","","","0.71073","MoKα","","0.0643","0.0479","","","0.1138","0.1222","","","","","","1.037","","","","has coordinates,has disorder","251093","2020-10-21","18:00:00",""
"4134791","20.0407","0.001","12.4313","0.0007","5.1226","0.0002","90","","90","","90","","1276.2","0.11","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","20006z","","","- C12 H14 Cl F3 O -","- C12 H14 Cl F3 O -","- C48 H56 Cl4 F12 O4 -","4","1","","Xu, Shiyan; Holst, Hannah Marie; McGuire, Shelby Barbara; Race, Nicholas James","Reagent control enables selective and regiodivergent opening of unsymmetrical phenonium ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02095","","","0.71073","MoKα","","0.0416","0.0355","","","0.0868","0.0918","","","","","","1.021","","","","has coordinates","251142","2020-10-21","18:00:00",""
"4134857","23.615","0.011","10.033","0.003","14.816","0.003","90","","90","","90","","3510","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H46 Cu N O3 -","- C41 H46 Cu N O3 -","- C164 H184 Cu4 N4 O12 -","4","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","","0.0455","0.0372","","","0.0843","0.088","","","","","","1.049","","","","has coordinates","251367","2020-10-21","18:00:00",""
"4134866","16.063","0.003","9.074","0.0018","24.195","0.005","90","","90","","90","","3526.6","1.2","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O -","- C11 H11 N O -","- C176 H176 N16 O16 -","16","4","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.8","synchrotron","","0.1087","0.0598","","","0.1241","0.1464","","","","","","0.988","","","","has coordinates,has disorder","251376","2020-10-21","18:00:00",""
"4134978","23.7593","0.0003","13.3807","0.0002","21.4965","0.0003","90","","90","","90","","6834.08","0.16","123.15","","123.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H108 Cu2 N4 O6 P2 -","- C62 H108 Cu2 N4 O6 P2 -","- C248 H432 Cu8 N16 O24 P8 -","4","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","","0.0905","0.0805","","","0.2384","0.2845","","","","","","1.2656","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4135125","28.6889","0.0003","21.166","0.0002","14.4751","0.0002","90","","90","","90","","8789.7","0.17","100","","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H23 Cu2 N O10 -","- C39 H20 Cu2 N O12 -","- C312 H160 Cu16 N8 O96 -","8","2","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0715","0.0564","","","0.1555","0.168","","","","","","1.041","","","","has coordinates,has disorder","254684","2020-10-21","18:00:00",""
"4135236","16.0766","0.0006","8.861","0.0003","10.0045","0.0004","90","","90","","90","","1425.19","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","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","","0.0203","0.0187","","","0.0459","0.0463","","","","","","0.98","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135354","20.8973","0.0011","11.6751","0.0006","19.2927","0.0011","90","","90","","90","","4707","0.4","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H70 O5 Si3 Ti3 -","- C41 H70 O5 Si3 Ti3 -","- C164 H280 O20 Si12 Ti12 -","4","1","","Hu, Shaowei; Shima, Takanori; Hou, Zhaomin","Hydrodeoxygenative Cyclotetramerization of Carbon Monoxide by a Trinuclear Titanium Polyhydride Complex.","Journal of the American Chemical Society","2020","142","47","19889","19894","10.1021/jacs.0c10403","","","0.71073","MoKα","","0.0613","0.0587","","","0.1585","0.1611","","","","","","1.036","","","","has coordinates,has disorder","259519","2020-12-04","02:20:46",""
"4135380","21.279","0.002","12.954","0.0012","12.0149","0.0011","90","","90","","90","","3311.9","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H43 Au N2 O3 -","- C38 H43 Au N2 O3 -","- C152 H172 Au4 N8 O12 -","4","1","","Sen, Sajal; Hufnagel, Stephanie; Maier, Esther Y.; Aguilar, Isaiah; Selvakumar, Jayaraman; DeVore, Jennie E.; Lynch, Vincent M.; Arumugam, Kuppuswamy; Cui, Zhengrong; Sessler, Jonathan L.; Arambula, Jonathan F.","Rationally Designed Redox-Active Au(I) N-Heterocyclic Carbene: An Immunogenic Cell Death Inducer.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09753","","","0.71073","MoKα","","0.0491","0.0326","","","0.0643","0.0687","","","","","","1.004","","","","has coordinates","259265","2020-11-26","23:50:55",""
"4135613","9.835","0.003","16.634","0.005","23.5","0.008","90","","90","","90","","3844","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 O20 P3 Y -","- C24 H18 O11.5 P3 Y -","- C96 H72 O46 P12 Y4 -","4","1","","Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida","Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework.","Journal of the American Chemical Society","2021","143","3","1365","1376","10.1021/jacs.0c10421","","","0.6889","synchrotron","","0.2143","0.1168","","","0.2742","0.3244","","","","","","0.985","","","","has coordinates","261478","2021-02-04","00:56:30",""
"4300089","18.634","0.005","29.357","0.017","16.142","0.003","90","","90","","90","","8830","6","213","2","213","2","","","","","","","synthesis","5","P n a 21","P 2c -2n","33","","","","- C46 H38 Cl2 Cr3 N12 -","- C46 H38 Cl2 Cr3 N12 -","- C368 H304 Cl16 Cr24 N96 -","8","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual","Linear Trichromium Complexes with Direct Cr to Cr Contacts. 1. Compounds with Cr3(dipyridylamide)42+ Cores","Inorganic Chemistry","2000","39","","748","751","10.1021/ic990793u","","","0.71073","MoKα","","0.0702","0.0536","","0.1366","0.1195","","","","1.137","1.096","1.096","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300095","21.51","0.004","13.485","0.002","10.0512","0.0016","90","","90","","90","","2915.5","0.8","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","(Me4N)[Co(PyPePRS)2].CH3CN","","","- C26 H39 Co N6 O2 S2 -","- C26 H39 Co N6 O2 S2 -","- C104 H156 Co4 N24 O8 S8 -","4","1","","Laurie A. Tyler; Juan C. Noveron; Marilyn M. Olmstead; Pradip K. Mascharak","Co(III) Complexes with Coordinated Carboxamido Nitrogens and Thiolato Sulfurs as Models for Co-Containing Nitrile Hydratase and Their Conversion to the Corresponding Sulfinato Species","Inorganic Chemistry","2000","39","","357","362","10.1021/ic990794m","","","0.71073","MoKα","","0.0441","0.0343","","","0.0719","0.0766","","","","","","1.012","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4300166","23.493","0.001","11.4994","0.0006","18.265","0.001","90","","90","","90","","4934.4","0.4","213","2","213","2","","","","","","","","9","P n a 21","P 2c -2n","33","[(Cl4cat)(CH3CN)MoFe3S4(PPri)3]","","","- C35 H66 Cl4 Fe3 Mo N O2 P3 S4 -","- C35 H66 Cl4 Fe3 Mo N O2 P3 S4 -","- C140 H264 Cl16 Fe12 Mo4 N4 O8 P12 S16 -","4","1","","Frank Osterloh; Brent M. Segal; Catalina Achim; R. H. Holm","Reduced Mono-, Di-, and Tetracubane-Type Clusters Containing the [MoFe3S4]2+ Core Stabilized by Tertiary Phosphine Ligation","Inorganic Chemistry","2000","39","","980","989","10.1021/ic991016x","","","0.71073","MoKα","","0.2038","0.0714","","","0.1348","0.1711","","","","","","1.024","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4300177","23.878","0.002","29.488","0.001","14.245","0.008","90","","90","","90","","10030","6","213","2","213","2","","","","","","","synthesis","7","P n a 21","P 2c -2n","33","","","","- C42 H36 B2 Cl4 Cr3 F9 N12 -","- C42 H36 B2 Cl4 Cr3 F9 N12 -","- C336 H288 B16 Cl32 Cr24 F72 N96 -","8","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual","Linear Trichromium Complexes with Direct Cr to Cr Contacts. 2. Compounds with Cr3(dipyridylamide)43+ Cores","Inorganic Chemistry","2000","39","","752","756","10.1021/ic991022t","","","0.71073","MoKα","","0.0917","0.0676","","0.1733","0.1506","","","","1.077","1.048","1.048","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4300193","21.4717","0.001","6.8615","0.0003","18.8797","0.0009","90","","90","","90","","2781.5","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H36 N15 Nd O15 -","- C9 H30 N15 Nd O15 -","- C36 H120 N60 Nd4 O60 -","4","1","","Wolfgang Runde; Mary P. Neu; Craig Van Pelt; Brian L. Scott","Single Crystal and Solution Complex Structure of Nd(CO3)45-. The First Characterization of a Mononuclear Lanthanide(III) Carbonato Complex","Inorganic Chemistry","2000","39","","1050","1051","10.1021/ic991087w","","","0.71073","MoKα","","0.0215","0.0192","","","0.0498","0.0508","","","","","","1.112","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4300362","16.0405","0.0004","7.65135","0.00018","25.1087","0.0005","90","","90","","90","","3081.64","0.14","","","","","","","","","","","","4","P n a 21","","","","","","- C29 N4 O8 Zn2 -","- C29 N4 O8 Zn2 -","- C116 N16 O32 Zn8 -","4","1","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300367","16.205","0.004","7.6783","0.0016","25.247","0.005","90","","90","","90","","3141.2","1.2","273","2","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C116 H144 N16 O56 Zn8 -","- C116 H96 N16 O56 Zn8 -","- C116 H96 N16 O56 Zn8 -","1","0.25","","Kjell Ove Kongshaug; Fjellvag, Helmer","Design of novel bilayer compounds of CPO-8 type containing 1D channels","Inorganic Chemistry","2006","","","","","10.1021/ic050662v","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4300372","15.2554","0.0013","8.8516","0.0008","14.98","0.0012","90","","90","","90","","2022.8","0.3","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H25 Fe N3 O2 S -","- C19 H25 Fe N3 O2 S -","- C76 H100 Fe4 N12 O8 S4 -","4","1","","Karambelkar, Vivek; Xiao, Chuanyun; Zhang, Yingkai; Narducci Sarjeant, Amy A.; Goldberg, David P.","","Inorganic Chemistry","2006","","","","","10.1021/ic050995s","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300448","31.884","0.006","9.0048","0.0016","15.318","0.003","90","","90","","90","","4398","1.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H70 Fe2 I2 O2 S2 Si2 -","- C32 H70 Fe2 I2 O2 S2 Si2 -","- C128 H280 Fe8 I8 O8 S8 Si8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051289u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300580","18.843","0.005","13.206","0.004","20.044","0.006","90","","90","","90","","4987","2","173","2","173","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C43 H63 Cl3 Li N2 O3 P2 Si2 Yb -","- C43 H55 Cl3 Li N2 O3 P2 Si2 Yb -","- C172 H220 Cl12 Li4 N8 O12 P8 Si8 Yb4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300596","17.956","0.0001","6.895","0.0002","5.71","0.0005","90","","90","","90","","706.94","0.07","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 Cl2 Cu N2 -","- C3 H10 Cl2 Cu N2 -","- C12 H40 Cl8 Cu4 N8 -","4","1","","Zeleňák, Vladimír; Orendáčová, Alžbeta; Císařová, Ivana; Černák, Juraj; Kravchyna, Oxana. V.; Park, Ju-Hyun; Orendáč, Martin; Anders, Alexander. G.; Feher, Alexander; Meisel, Mark. W.","Magneto-Structural Correlations in Cu(tn)Cl2 (tn = 1,3-diaminopropane): Two-dime Spatially Anisotropic Triangular Magnet Formed by Hydrogen Bonds","Inorganic Chemistry","2006","","","","","10.1021/ic0516109","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4300665","14.933","0.004","18.888","0.004","11.86","0.003","90","","90","","90","","3345.2","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H35 N5 O4 P2 Pt -","- C33 H35 N5 O4 P2 Pt -","- C132 H140 N20 O16 P8 Pt4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051755f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300733","13.927","0.0004","14.4549","0.0004","14.5183","0.0003","90","","90","","90","","2922.72","0.13","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","[Au(PhTm)(PEt3)]","","","- C24 H35 Au B N6 P S3 -","- C24 H35 Au B N6 P S3 -","- C96 H140 Au4 B4 N24 P4 S12 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic052032z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300752","39.789","0.002","19.7049","0.0008","12.9402","0.0004","90","","90","","90","","10145.6","0.7","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- H54 K10 O104 Si2 W20 Zr4 -","- K10 O104 Si2 W20 Zr4 -","- K40 O416 Si8 W80 Zr16 -","4","1","","Bassil, Bassem S.; Dickman, Michael H.; Kortz, Ulrich","Synthesis and Structure of Asymmetric Zirconium-Substituted Silicotungstates, [Zr~6~O~2~(OH)~4~(H~2~O)~3~(β-SiW~10~O~37~)~3~]^14-^ and [Zr~4~O~2~(OH)~2~(H~2~O)~4~(β-SiW~10~O~37~)~2~]^10-^","Inorganic Chemistry","2006","45","6","2394","2396","10.1021/ic052131c","","","","","","","","","","","","","","","","","","","","","has coordinates","210952","2020-10-21","18:00:00",""
"4300913","25.772","0.005","15.892","0.003","11.214","0.002","90","","90","","90","","4592.9","1.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H78 Ga2 N6 Si4 -","- C33 H78 Ga2 N6 Si4 -","- C132 H312 Ga8 N24 Si16 -","4","1","","Karen L. Antcliff; Robert J. Baker; Cameron Jones; Damien M. Murphy; Richard P. Rose","Reactions of a Gallium(II)-Diazabutadiene Dimer, [{{[(H)C(But)N]2}GaI}2], with [ME(SiMe3)2] (M = Li or Na; E = N, P, or As): Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes","Inorganic Chemistry","2005","44","","2098","2105","10.1021/ic0486825","","","0.71073","MoKα","","0.0706","0.0543","","","0.1186","0.1274","","","","","","1.024","","","","has coordinates","179047","2020-10-21","18:00:00",""
"4301059","16.1331","0.0002","6.5142","0.0002","32.3906","0.0005","90","","90","","90","","3404.07","0.12","150","","150","","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","Ti(N-2-C6H4CF3)Cl2(NHMe2)2","","- C11 H18 Cl2 F3 N3 Ti -","- C11 H18 Cl2 F3 N3 Ti -","- C88 H144 Cl16 F24 N24 Ti8 -","8","2","","Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip","New Titanium Imido Synthons: Syntheses and Supramolecular Structures","Inorganic Chemistry","2005","44","8","2882","2894","10.1021/ic050011z","","","0.71073","MoKα","","0.0686","0.0364","","0.0641","0.0343","0.0343","","","","","","1.0674","","","","has coordinates","210209","2020-10-21","18:00:00",""
"4301677","19.5771","0.0015","11.0445","0.0009","18.5937","0.0014","90","","90","","90","","4020.3","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","[SiPiPr3]Ir(H)(Cl)","","","- C42 H61 Cl Ir P3 Si -","- C42 H60 Cl Ir P3 Si -","- C168 H240 Cl4 Ir4 P12 Si4 -","4","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","","0.0538","0.0394","","","0.0802","0.0857","","","","","","1.077","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301760","29.858","0.002","7.6601","0.0006","17.4096","0.0013","90","","90","","90","","3981.8","0.5","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H36 Cl2 I3 P Pd3 -","- C39 H36 Cl2 I3 P Pd3 -","- C156 H144 Cl8 I12 P4 Pd12 -","4","1","","Frank L. Mulligan; Dominic C. Babbini; Isaac R. Davis; Stephanie K. Hurst; Gary S. Nichol","Monomers and Polymers of Tripalladium(0) Ditropylium Halides","Inorganic Chemistry","2009","48","","2708","2710","10.1021/ic8014578","","","0.7749","synchrotron","","0.0308","0.0273","","","0.0574","0.0588","","","","","","1.032","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301773","16.57","0.003","18.708","0.004","15.787","0.003","90","","90","","90","","4893.8","1.7","301","2","301","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C57 H66 -","- C57 H66 -","- C228 H264 -","4","1","","Carmen Ka Man Chan; Chi-Hang Tao; Hoi-Lam Tam; Nianyong Zhu; Vivian Wing-Wah Yam; Kok-Wai Cheah","Synthesis, Characterization, Luminescence, and Non-linear Optical Properties of Oxadiazole- and Truxene-Containing Platinum(II) Alkynyl Complexes with Donor-Acceptor Functionalities","Inorganic Chemistry","2009","48","","2855","2864","10.1021/ic8017979","","","0.71073","MoKα","","0.1401","0.0597","","","0.1396","0.161","","","","","","0.81","","","","has coordinates,has disorder","179055","2020-10-21","18:00:00",""
"4301836","23.768","0.004","17.122","0.003","10.0927","0.0018","90","","90","","90","","4107.3","1.2","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Mg(O-2,6-Ph2C6H3)2(H-TMG)2] (6)","","","- C46 H52 Mg N6 O2 -","- C46 H52 Mg N6 O2 -","- C184 H208 Mg4 N24 O8 -","4","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","","0.0394","0.0322","","","0.096","0.1052","","","","","","0.818","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301843","15.0594","0.0019","10.9722","0.0014","16.739","0.002","90","","90","","90","","2765.9","0.6","168","2","168","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H52 Co N2 P2 Si -","- C22 H52 Co N2 P2 Si -","- C88 H208 Co4 N8 P8 Si4 -","4","1","","Wayne A. Chomitz; John Arnold","Substitution and Reaction Chemistry of Cobalt Complexes Supported by [N2P2] Ligands","Inorganic Chemistry","2009","48","","3274","3286","10.1021/ic802337t","","","0.71073","MoKα","","0.0358","0.0284","","","0.0723","0.0762","","","","","","0.942","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4302079","11.8259","0.0003","23.5185","0.0006","11.688","0.0003","90","","90","","90","","3250.75","0.14","150","1","150","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H34 Cl3 N3 O S6 Ti -","- C17.296 H29.166 N3 O4 S6 Ti -","- C69.184 H116.664 N12 O16 S24 Ti4 -","4","1","","Alberto Donzelli; Pierre G. Potvin","Dithiocarbamate Complexes of Ti(IV) Alkoxides: Synthesis, Characterization, and Electrochemistry","Inorganic Chemistry","2009","48","","4171","4178","10.1021/ic802394a","","","0.71073","MoKα","","0.0557","0.0383","","","0.082","0.0944","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4302138","18.4379","0.0015","18.0101","0.0014","17.182","0.0014","90","","90","","90","","5705.6","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H37 Cu N6 O2 -","- C27 H37 Cu N6 O2 -","- C216 H296 Cu8 N48 O16 -","8","2","","Sungjun Hong; Lyndal M. R. Hill; Aalo K. Gupta; Benjamin D. Naab; Joe B. Gilroy; Robin G. Hicks; Christopher J. Cramer; William B. Tolman","Effects of Electron-Deficient β-Diketiminate and Formazan Supporting Ligands on Copper(I)-Mediated Dioxygen Activation","Inorganic Chemistry","2009","48","","4514","4523","10.1021/ic9002466","","","0.71073","MoKα","","0.1109","0.0674","","","0.1539","0.1881","","","","","","1.063","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302142","20.052","0.0004","19.9954","0.0006","11.5863","0.0003","90","","90","","90","","4645.5","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H40 Ce K N22 O29 Re2 -","- C30 H40 Ce K N22 O29 Re2 -","- C120 H160 Ce4 K4 N88 O116 Re8 -","4","1","","Pierre Thuéry","Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions","Inorganic Chemistry","2009","48","","4497","4513","10.1021/ic900328z","","","0.71073","MoKα","","0.0325","0.0295","","","0.073","0.0743","","","","","","1.057","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302143","20.0767","0.0008","14.1783","0.0003","17.7384","0.0007","90","","90","","90","","5049.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H44 K N21 O32 Re3 Sm -","- C30 H44 K N21 O32 Re3 Sm -","- C120 H176 K4 N84 O128 Re12 Sm4 -","4","1","","Pierre Thuéry","Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions","Inorganic Chemistry","2009","48","","4497","4513","10.1021/ic900328z","","","0.71073","MoKα","","0.0443","0.0405","","","0.0989","0.1011","","","","","","1.034","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302145","20.0457","0.0003","14.1521","0.0004","17.7711","0.0005","90","","90","","90","","5041.5","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H46 Gd K N21 O33 Re3 -","- C30 H38 Gd K N21 O33 Re3 -","- C120 H152 Gd4 K4 N84 O132 Re12 -","4","1","","Pierre Thuéry","Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions","Inorganic Chemistry","2009","48","","4497","4513","10.1021/ic900328z","","","0.71073","MoKα","","0.0393","0.0366","","","0.0911","0.0925","","","","","","1.02","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302147","12.0805","0.0003","21.5528","0.0007","23.6878","0.0008","90","","90","","90","","6167.6","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H50 Ce2 N27 O40 Re3 -","- C36 H48 Ce2 N27 O40 Re3 -","- C144 H192 Ce8 N108 O160 Re12 -","4","1","","Pierre Thuéry","Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions","Inorganic Chemistry","2009","48","","4497","4513","10.1021/ic900328z","","","0.71073","MoKα","","0.0437","0.0385","","","0.0927","0.0954","","","","","","1.044","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302148","12.0575","0.0003","21.5172","0.0008","23.7178","0.0009","90","","90","","90","","6153.4","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H50 N27 O40 Pr2 Re3 -","- C36 H48 N27 O40 Pr2 Re3 -","- C144 H192 N108 O160 Pr8 Re12 -","4","1","","Pierre Thuéry","Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions","Inorganic Chemistry","2009","48","","4497","4513","10.1021/ic900328z","","","0.71073","MoKα","","0.0381","0.0344","","","0.0884","0.0904","","","","","","1.004","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302160","8.9658","0.0004","9.7748","0.0005","8.8042","0.0004","90","","90","","90","","771.59","0.06","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H2 O8 P2 Th -","- C H2 O8 P2 Th -","- C4 H8 O32 P8 Th4 -","4","1","","Anna-Gay D. Nelson; Travis H. Bray; Forrest A. Stanley; Thomas E. Albrecht-Schmitt","Periodic Trends in Actinide Phosphonates: Divergence and Convergence between Thorium, Uranium, Neptunium, and Plutonium Systems","Inorganic Chemistry","2009","48","","4530","4535","10.1021/ic900484w","","","0.71073","MoKα","","0.0204","0.0193","","","0.0527","0.0748","","","","","","1.214","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4302179","24.941","0.007","19.361","0.006","14.669","0.005","90","","90","","90","","7083","4","106","2","106","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H69 B F24 Ga3 Rh -","- C70 H69 B F24 Ga3 Rh -","- C280 H276 B4 F96 Ga12 Rh4 -","4","1","","Thomas Cadenbach; Christian Gemel; Timo Bollermann; Roland A. Fischer","Syntheses and Crystal Structures of Ruthenium and Rhodium Olefin Complexes Containing GaCp*","Inorganic Chemistry","2009","48","","5021","5026","10.1021/ic802283r","","","0.71073","MoKα","","0.0712","0.0425","","","0.0633","0.0693","","","","","","0.783","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302180","25.022","0.006","19.373","0.005","14.526","0.005","90","","90","","90","","7041","3","105","2","105","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H69 Al3 B F24 Rh -","- C70 H69 Al3 B F24 Rh -","- C280 H276 Al12 B4 F96 Rh4 -","4","1","","Thomas Cadenbach; Christian Gemel; Timo Bollermann; Roland A. Fischer","Syntheses and Crystal Structures of Ruthenium and Rhodium Olefin Complexes Containing GaCp*","Inorganic Chemistry","2009","48","","5021","5026","10.1021/ic802283r","","","0.71073","MoKα","","0.0718","0.0435","","","0.0699","0.0758","","","","","","0.819","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302824","8.148","0.0013","15.031","0.001","18.115","0.0011","90","","90","","90","","2218.6","0.4","122.4","0.5","122.4","0.5","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H33 Br3 Co N5 O3 S -","- C12 H33 Br3 Co N5 O3 S -","- C48 H132 Br12 Co4 N20 O12 S4 -","4","1","","Erik Larsen; Anders Østergaard Madsen; Pauli Kofod; Yong Sheng Song","Making a Robust Carbon-Cobalt(III) Bond","Inorganic Chemistry","2009","48","","7159","7164","10.1021/ic900397r","","","0.71073","MoKα","","0.0637","0.0539","","","0.1308","0.1399","","","","","","1.255","","","","has coordinates,has disorder","179066","2020-10-21","18:00:00",""
"4302826","22.9306","0.0014","16.7543","0.001","12.3428","0.0007","90","","90","","90","","4741.9","0.5","373","2","373","2","","","","","","","","6","P n a 21","P 2c -2n","33","[PhC(H)NNMo(N[t-Bu]Ar)3][AlCl4]","","","- C43 H60 Al Cl4 Mo N5 -","- C43 H60 Al Cl4 Mo N5 -","- C172 H240 Al4 Cl16 Mo4 N20 -","4","1","","John J. Curley; Tetsuro Murahashi; Christopher C. Cummins","Synthesis and Reversible Reductive Coupling of Cationic, Dinitrogen-Derived Diazoalkane Complexes","Inorganic Chemistry","2009","48","","7181","7193","10.1021/ic900495s","","","0.71073","MoKα","","0.0387","0.033","","","0.0756","0.079","","","","","","1.046","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4302848","9.954","0.003","21.542","0.008","9.09","0.003","90","","90","","90","","1949.2","1.1","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H29 Cl N4 Ni O S -","- C14 H29 Cl N4 Ni O S -","- C56 H116 Cl4 N16 Ni4 O4 S4 -","4","1","","Roxanne M. Jenkins; Michael L. Singleton; Elky Almaraz; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Imidazole-Containing (N3S)-NiII Complexes Relating to Nickel Containing Biomolecules","Inorganic Chemistry","2009","48","","7280","7293","10.1021/ic900778k","","","0.71073","MoKα","","0.1162","0.0634","","","0.1046","0.1205","","","","","","1.02","","","","has coordinates,has disorder","179066","2020-10-21","18:00:00",""
"4302921","26.2091","0.0017","11.9446","0.0007","20.3932","0.0013","90","","90","","90","","6384.2","0.7","150","2","150","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C36 H72 B2 Cl4 F8 Fe4 N2 O8 P4 S4 -","- C36 H72 B2 Cl4 F8 Fe4 N2 O8 P4 S4 -","- C144 H288 B8 Cl16 F32 Fe16 N8 O32 P16 S16 -","4","1","","Ming-Hsi Chiang; Yu-Chiao Liu; Shu-Ting Yang; Gene-Hsiang Lee","Biomimetic Model Featuring the NH Proton and Bridging Hydride Related to a Proposed Intermediate in Enzymatic H2 Production by Fe-Only Hydrogenase","Inorganic Chemistry","2009","48","","7604","7612","10.1021/ic900564q","","","0.71073","MoKα","","0.0511","0.0467","","","0.1116","0.1159","","","","","","1.154","","","","has coordinates,has disorder","179067","2020-10-21","18:00:00",""
"4302926","24.245","0.003","9.8519","0.0011","32.28","0.004","90","","90","","90","","7710.4","1.6","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H59 B N3 O4 Si2 Y -","- C33 H59 B N3 O4 Si2 Y -","- C264 H472 B8 N24 O32 Si16 Y8 -","8","2","","Andrew V. Pawlikowski; Arkady Ellern; Aaron D. Sadow","Ligand Exchange Reactions and Hydroamination with Tris(oxazolinyl)borato Yttrium Compounds","Inorganic Chemistry","2009","48","","8020","8029","10.1021/ic900689k","","","0.71073","MoKα","","0.0779","0.044","","","0.0967","0.111","","","","","","1.019","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4302927","11.967","0.002","6.532","0.0013","11.126","0.002","90","","90","","90","","869.7","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B5 H5 Na2 O11 -","- B5 H5 Na2 O11 -","- B20 H20 Na8 O44 -","4","1","","Yongjiang Wang; Shilie Pan; Xuelin Tian; Zhongxiang Zhou; Gang Liu; Jide Wang; Dianzeng Jia","Synthesis, Structure, and Properties of the Noncentrosymmetric Hydrated Borate Na2B5O8(OH).2H2O","Inorganic Chemistry","2009","48","","7800","7804","10.1021/ic900700u","","","0.71073","MoKα","","0.0185","0.0183","","","0.0483","0.0485","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303208","17.0617","0.0012","6.6134","0.0006","6.7435","0.0005","90","","90","","90","","760.91","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- K P Pb S1.84 Se2.16 -","- K P Pb S1.83 Se2.17 -","- K4 P4 Pb4 S7.32 Se8.68 -","4","1","","Alexander Rothenberger; Collin Morris; Hsien-Hau Wang; Duck Young Chung; Mercouri G. Kanatzidis","Soft-Hard Acid-Base Interactions: Probing Coordination Preferences of Sulfur and Selenium in Mixed Chalcophosphates in the Family APbPS4-xSex (A = K, Rb, Cs; x= 0-4)","Inorganic Chemistry","2009","48","","9036","9040","10.1021/ic901283k","","","0.71073","MoKα","","0.0372","0.0338","","","0.0674","0.0683","","","","","","1.155","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303213","19.069","0.0011","20.4124","0.0012","15.6455","0.0009","90","","90","","90","","6089.9","0.6","173","2","173","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C50 H62 Cu Hg I4 K N2 O11 S2 -","- C50 H62 Cu Hg I4 K N2 O11 S2 -","- C200 H248 Cu4 Hg4 I16 K4 N8 O44 S8 -","4","1","","Jai Young Lee; So Young Lee; Sunhong Park; Jongchul Kwon; Wonbo Sim; Shim Sung Lee","Unsymmetrical Calixcrowns Incorporating Hard and Soft Loops as a New Scaffold for Multinuclear Endo/Exocyclic Complexation and Networking","Inorganic Chemistry","2009","48","","8934","8939","10.1021/ic901314b","","","0.71073","MoKα","","0.0943","0.0563","","","0.1296","0.1485","","","","","","1.035","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303327","10.6876","0.0004","17.0748","0.0008","10.8625","0.0005","90","","90","","90","","1982.28","0.15","150","2","150","2","","","","","","","T. Bugarcic, TB39","7","P n a 21","P 2c -2n","33","","","","- C16 H22 Cl F6 N2 P Ru -","- C16 H22 Cl F6 N2 P Ru -","- C64 H88 Cl4 F24 N8 P4 Ru4 -","4","1","","Tijana Bugarcic; Abraha Habtemariam; Robert J. Deeth; Francesca P. A. Fabbiani; Simon Parsons; Peter J. Sadler","Ruthenium(II) Arene Anticancer Complexes with Redox-Active Diamine Ligands","Inorganic Chemistry","2009","48","","9444","9453","10.1021/ic9013366","","","0.71073","MoKα","","0.0418","0.034","","","0.0811","0.0838","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4303336","20.0737","0.0011","10.6655","0.0006","12.5882","0.0007","90","","90","","90","","2695.1","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H36 Ag Br N2 -","- C27 H36 Ag Br N2 -","- C108 H144 Ag4 Br4 N8 -","4","1","","David V. Partyka; Nihal Deligonul","Phosphine- and Carbene-Ligated Silver Acetate: Easily-Accessed Synthons for Reactions with Silylated Nucleophiles","Inorganic Chemistry","2009","48","","9463","9475","10.1021/ic901371g","","","0.71073","MoKα","","0.03","0.0257","","","0.055","0.0569","","","","","","1.024","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303338","20.608","0.004","10.826","0.002","12.542","0.003","90","","90","","90","","2798.1","1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H36 Ag I N2 -","- C27 H36 Ag I N2 -","- C108 H144 Ag4 I4 N8 -","4","1","","David V. Partyka; Nihal Deligonul","Phosphine- and Carbene-Ligated Silver Acetate: Easily-Accessed Synthons for Reactions with Silylated Nucleophiles","Inorganic Chemistry","2009","48","","9463","9475","10.1021/ic901371g","","","0.71073","MoKα","","0.0272","0.0263","","","0.0791","0.08","","","","","","1.101","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303425","31.5983","0.0009","6.9132","0.0002","11.64","0.0003","90","","90","","90","","2542.7","0.12","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","{R2Cu2}n +4H2O","","","- C4 H32 Cu2 N28 O4 -","- C4 H32 Cu2 N28 O4 -","- C16 H128 Cu8 N112 O16 -","4","1","","Guo-Hong Tao; Brendan Twamley; Jean'ne M. Shreeve","Energetic Nitrogen-Rich Cu(II) and Cd(II) 5,5'-Azobis(tetrazolate) Complexes","Inorganic Chemistry","2009","48","","9918","9923","10.1021/ic901492r","","","0.71073","MoKα","","0.031","0.0271","","","0.0643","0.0667","","","","","","1.054","","","","has coordinates","179072","2020-10-21","18:00:00",""
"4303497","27.843","0.005","15.306","0.003","13.221","0.002","90","","90","","90","","5634.3","1.7","218","2","218","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C61 H81 O7 Sb Si -","- C61 H77 O7 Sb Si -","- C244 H308 O28 Sb4 Si4 -","4","1","","Daniel Mendoza-Espinosa; Tracy A. Hanna","Facile Synthesis of Bismuth(III) and Antimony(III) Complexes Supported by Silylated Calix[5]arenes.","Inorganic Chemistry","2009","48","","10312","10325","10.1021/ic9014477","","","0.71073","MoKα","","0.1047","0.0574","","","0.1198","0.1427","","","","","","0.91","","","","has coordinates,has disorder","179072","2020-10-21","18:00:00",""
"4303831","13.496","0.002","10.718","0.002","16.288","0.003","90","","90","","90","","2356.1","0.7","95","2","95","2","","","","","","","synthetical product","6","P n a 21","P 2c -2n","33","","Chlorooxo-bis[4-(2-methyl-phenylimino)-2-pentanonato-N,O]rhenium(V)","","- C24 H28 Cl N2 O3 Re -","- C24 H28 Cl N2 O3 Re -","- C96 H112 Cl4 N8 O12 Re4 -","4","1","","Albert Schröckeneder; Pedro Traar; Georg Raber; Judith Baumgartner; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Oxorhenium(V) Complexes with Ketiminato Ligands: Coordination Chemistry and Epoxidation of Cyclooctene","Inorganic Chemistry","2009","48","","11608","11614","10.1021/ic901455g","","","0.71069","MoKα","","0.058","0.0476","","","0.1218","0.1292","","","","","","1.075","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303872","7.1702","0.0009","16.166","0.002","20.461","0.003","90","","90","","90","","2371.7","0.5","156","2","156","2","","","","","","","","6","P n a 21","P 2c -2n","33","3,4-thiophene-bis-Me-3,2-HOPO uranyl complex","","","- C21 H21 N5 O9 S U -","- C21 H21 N5 O9 S U -","- C84 H84 N20 O36 S4 U4 -","4","1","","Géza Szigethy; Kenneth N. Raymond","Designing the Ideal Uranyl Ligand: a Sterically Induced Speciation Change in Complexes with Thiophene-Bridged Bis(3-hydroxy-N-methylpyridin-2-one)(1)","Inorganic Chemistry","2009","48","","11489","11491","10.1021/ic901815b","","","0.71073","MoKα","","0.073","0.0419","","","0.092","0.1035","","","","","","0.976","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303903","19.73","0.004","17.919","0.004","9.0249","0.0018","90","","90","","90","","3190.7","1.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H37 Li N2 P2 Se2 -","- C31 H37 Li N2 P2 Se2 -","- C124 H148 Li4 N8 P8 Se8 -","4","1","","Jari Konu; Heikki M. Tuononen; Tristram Chivers","Structural and Spectroscopic Studies of the PCP-Bridged Heavy Chalcogen-Centered Monoanions [HC(PPh2E)(PPh2)]- (E = Se, Te) and [HC(PR2E)2]- (E = Se, Te, R = Ph; E = Se, R =iPr): Homoleptic Group 12 Complexes and One-Electron Oxidation of [HC(PR2Se)2]-","Inorganic Chemistry","2009","48","","11788","11798","10.1021/ic901878h","","","0.71073","MoKα","","0.0755","0.046","","","0.0805","0.0911","","","","","","1.065","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4304006","15.8728","0.0016","48.079","0.005","12.0564","0.0012","90","","90","","90","","9200.8","1.6","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","complex 16 (RX-14 vv)","","","- C56 H64 Cu4 F24 N24 P4 -","- C56 H64 Cu4 F24 N24 P4 -","- C224 H256 Cu16 F96 N96 P16 -","4","1","","Blanca R. Manzano; Félix A. Jalón; Isabel M. Ortiz; M. Laura Soriano; Felipe Gómez de la Torre; José Elguero; Miguel A. Maestro; Kurt Mereiter; Tim D. W. Claridge","Self-assembly of Ligands Designed for the Building of a New Type of [2 x 2] Metallic Grid. Anion Encapsulation and Diffusion NMR Spectroscopy","Inorganic Chemistry","2008","47","","413","428","10.1021/ic701117a","","","0.71073","MoKα","","0.1435","0.0675","","","0.1402","0.1599","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304012","19.413","0.0002","12.335","0.0004","19.052","0.0005","90","","90","","90","","4562.2","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H76 Li2 N2 O4 Si2 -","- C40 H76 Li2 N2 O4 Si2 -","- C160 H304 Li8 N8 O16 Si8 -","4","1","","Farzad Haftbaradaran; Angela M. Kuchison; Michael J. Katz; Gabriele Schatte; Daniel B. Leznoff","Synthesis, Structures, and Kinetics of Mixed-Donor Amido-Amino-Siloxo Ligands from Symmetrical Diamidosilyl Ether Ligands via a Retro-Brook Rearrangement","Inorganic Chemistry","2008","47","","812","822","10.1021/ic701267a","","","0.71073","MoKα","","0.0877","0.0745","","","0.2067","0.2186","","","","","","1.051","","","","has coordinates,has disorder","179078","2020-10-21","18:00:00",""
"4304016","30.595","0.0002","11.765","0.0002","13.382","0.0005","90","","90","","90","","4816.9","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H68 Li4 N4 O2 Si4 -","- C44 H68 Li4 N4 O2 Si4 -","- C176 H272 Li16 N16 O8 Si16 -","4","1","","Farzad Haftbaradaran; Angela M. Kuchison; Michael J. Katz; Gabriele Schatte; Daniel B. Leznoff","Synthesis, Structures, and Kinetics of Mixed-Donor Amido-Amino-Siloxo Ligands from Symmetrical Diamidosilyl Ether Ligands via a Retro-Brook Rearrangement","Inorganic Chemistry","2008","47","","812","822","10.1021/ic701267a","","","0.71073","MoKα","","0.064","0.0477","","","0.096","0.1053","","","","","","1.039","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304030","11.727","0.002","22.889","0.005","7.1966","0.0014","90","","90","","90","","1931.7","0.7","291","2","291","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Wei Huang; Gou Masuda; Seisuke Maeda; Hirofumi Tanaka; Takami Hino; Takuji Ogawa","Syntheses, Crystal Structures, and Spectral Properties of a Series of 3,8-Bisphenyl-1,10-phenanthroline Derivatives: Precursors of 3,8-Bis(4-mercaptophenyl)-1,10-phenanthroline and Its Ruthenium(II) Complex for Preparing Nanocomposite Junctions with Gold Nanoparticles between 1 μm Gap Gold Electrodes","Inorganic Chemistry","2008","47","","468","480","10.1021/ic701295q","","","0.71073","MoKα","","0.0883","0.0813","","","0.1448","0.148","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304341","14.113","0.004","14.59","0.004","10.469","0.003","90","","90","","90","","2155.7","1.1","294","2","294","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H48 Co1.8 N4 O24 P8 Zn4.2 -","- C16 H48 Co1.8 N4 O24 P8 Zn4.2 -","- C32 H96 Co3.6 N8 O48 P16 Zn8.4 -","2","0.5","","Yang Yang; Yongnan Zhao; Jianguo Yu; Shizhen Wu; Ruji Wang","Doping-Induced Structure Variation of 1,3-Cyclohexane- Bis(methylamine)-Templated Zinc-Phosphorus Open Structures","Inorganic Chemistry","2008","47","","769","771","10.1021/ic701825m","","","0.71073","MoKα","","0.0448","0.0372","","","0.0813","0.0856","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304459","11.7199","0.0008","18.0162","0.0013","16.3131","0.0011","90","","90","","90","","3444.5","0.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H26 Cl6 Co N5 O2 -","- C34 H26 Cl6 Co N5 O2 -","- C136 H104 Cl24 Co4 N20 O8 -","4","1","","Domingo Salazar-Mendoza; Stéphane A. Baudron; Mir Wais Hosseini","Many Faces of Dipyrrins: from Hydrogen-Bonded Networks to Homo- and Heteronuclear Metallamacrocycles","Inorganic Chemistry","2008","47","","766","768","10.1021/ic701949k","","","0.71073","MoKα","","0.0927","0.0603","","","0.1548","0.1802","","","","","","1.029","","","","has coordinates,has disorder","179082","2020-10-21","18:00:00",""
"4304723","16.112","0.003","14.717","0.003","11.515","0.002","90","","90","","90","","2730.4","0.9","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H40 Br N Ni P2 -","- C25 H40 Br N Ni P2 -","- C100 H160 Br4 N4 Ni4 P8 -","4","1","","Olena V. Zenkina; Amir Karton; Dalia Freeman; Linda J. W. Shimon; Jan M. L. Martin; Milko E. van der Boom","Directing Aryl-I versus Aryl-Br Bond Activation by Nickel via a Ring Walking Process","Inorganic Chemistry","2008","47","","5114","5121","10.1021/ic702289n","","","0.71073","MoKα","","0.0607","0.0457","","","0.0913","0.0979","","","","","","1.068","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4304843","13.275","0.005","18.47","0.005","15.227","0.005","90","0.005","90","0.005","90","0.005","3733","2","100","2","100","2","","","","","","","Sodium Molybdate","7","P n a 21","P 2c -2n","33","[Et4N][Mo(PPh3)(Br)(mnt)2]","Tetraethylammonium bis(1,2-dicyanoethylenedithiolato) bromo triphenylphosphinato molybdate (IV)","","- C34 H35 Br Mo N5 P S4 -","- C34 H35 Br Mo N5 P S4 -","- C136 H140 Br4 Mo4 N20 P4 S16 -","4","1","","Amit Majumdar; Kuntal Pal; Sabyasachi Sarkar","Selectivity of Thiolate Ligand and Preference of Substrate in Model Reactions of Dissimilatory Nitrate Reductase","Inorganic Chemistry","2008","47","","3393","3401","10.1021/ic7024268","","","0.71069","MoKα","","0.0792","0.0639","","","0.1121","0.1169","","","","","","1.116","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4305056","8.8418","0.0015","9.6381","0.0016","8.6627","0.0015","90","","90","","90","","738.2","0.2","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H2 Np O8 P2 -","- C H2 Np O8 P2 -","- C4 H8 Np4 O32 P8 -","4","1","","Anna-Gay D. Nelson; Travis H. Bray; Wei Zhan; Richard G. Haire; Todd S. Sayler; Thomas E. Albrecht-Schmitt","Further Examples of the Failure of Surrogates to Properly Model the Structural and Hydrothermal Chemistry of Transuranium Elements: Insights Provided by Uranium and Neptunium Diphosphonates","Inorganic Chemistry","2008","47","","4945","4951","10.1021/ic800255h","","","0.71073","MoKα","","0.0154","0.0149","","","0.0379","0.0381","","","","","","1.099","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305059","18.7589","0.0012","7.9134","0.0005","5.4368","0.0004","90","","90","","90","","807.07","0.09","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H2 O9 P2 U -","- C H2 O9 P2 U -","- C4 H8 O36 P8 U4 -","4","1","","Anna-Gay D. Nelson; Travis H. Bray; Wei Zhan; Richard G. Haire; Todd S. Sayler; Thomas E. Albrecht-Schmitt","Further Examples of the Failure of Surrogates to Properly Model the Structural and Hydrothermal Chemistry of Transuranium Elements: Insights Provided by Uranium and Neptunium Diphosphonates","Inorganic Chemistry","2008","47","","4945","4951","10.1021/ic800255h","","","0.71073","MoKα","","0.0226","0.0219","","","0.0565","0.0569","","","","","","1.046","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305062","24.48","0.004","14.79","0.002","10.2661","0.0016","90","","90","","90","","3716.9","1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H55 Cl2 N4 O4 Y -","- C33 H55 Cl2 N4 O4 Y -","- C132 H220 Cl8 N16 O16 Y4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Agustín Lara-Sánchez; Antonio Antiñolo; Juan Tejeda; Emilia Martínez-Caballero; Isabel Márquez-Segovia; Isabel López-Solera; Luis F. Sánchez-Barba; Carlos Alonso-Moreno","Versatile Scorpionates and New Developments in the Denticity Changes of NNCp Hybrid Scorpionate/Cyclopentadienyl Ligands in Sc and Y Compounds: From κ1-Nη5-Cp to κ2-NNη5-Cp","Inorganic Chemistry","2008","47","","4996","5005","10.1021/ic800267v","","","0.71073","MoKα","","0.0748","0.0591","","","0.1523","0.1657","","","","","","1.093","","","","has coordinates,has disorder","179088","2020-10-21","18:00:00",""
"4305148","8.614","0.002","39.907","0.005","9.56","0.002","90","","90","","90","","3286.3","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H42 Cu2 N10 O17 -","- C21 H35 Cu2 N10 O17 -","- C84 H140 Cu8 N40 O68 -","4","1","","Kazi Sabnam Banu; Tanmay Chattopadhyay; Arpita Banerjee; Santanu Bhattacharya; Eringathodi Suresh; Munirathinam Nethaji; Ennio Zangrando; Debasis Das","Catechol Oxidase Activity of a Series of New Dinuclear Copper(II) Complexes with 3,5-DTBC and TCC as Substrates: Syntheses, X-ray Crystal Structures, Spectroscopic Characterization of the Adducts and Kinetic Studies","Inorganic Chemistry","2008","47","","7083","7093","10.1021/ic701332w","","","0.71073","MoKα","","0.1018","0.0879","","","0.1679","0.1756","","","","","","1.19","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305186","26.423","0.004","7.3275","0.0012","26.855","0.004","90","","90","","90","","5199.5","1.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H20 Cl9 Fe2 N3 -","- C14 H20 Cl9 Fe2 N3 -","- C112 H160 Cl72 Fe16 N24 -","8","2","","Christopher W. Belock; Anil Çetin; Natalie V. Barone; Christopher J. Ziegler","Transition Metal Coordination Chemistry of N,N-Bis(2-{pyrid-2-ylethyl})hydroxylamine","Inorganic Chemistry","2008","47","","7114","7120","10.1021/ic702406n","","","0.71073","MoKα","","0.0877","0.0692","","","0.1478","0.157","","","","","","1.058","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305814","8.7938","0.0009","16.3657","0.001","15.598","0.0016","90","","90","","90","","2244.8","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H6 F12 N3 Ni O4 S2 -","- C16 H6 F12 N3 Ni O4 S2 -","- C64 H24 F48 N12 Ni4 O16 S8 -","4","1","","Nigel G. R. Hearns; Elisabeth M. Fatila; Rodolphe Clérac; Michael Jennings; Kathryn E. Preuss","Ni(II) and hs-Fe(II) Complexes of a Paramagnetic Thiazyl Ligand, and Decomposition Products of the Iron Complex, Including an Fe(III) Tetramer","Inorganic Chemistry","2008","47","","10330","10341","10.1021/ic800749b","","","0.71073","MoKα","","0.1292","0.0719","","","0.1795","0.2114","","","","","","0.993","","","","has coordinates,has disorder","179096","2020-10-21","18:00:00",""
"4305815","8.8809","0.0006","16.6466","0.0009","15.3774","0.0012","90","","90","","90","","2273.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H6 F12 Fe N3 O4 S2 -","- C16 H6 F12 Fe N3 O4 S2 -","- C64 H24 F48 Fe4 N12 O16 S8 -","4","1","","Nigel G. R. Hearns; Elisabeth M. Fatila; Rodolphe Clérac; Michael Jennings; Kathryn E. Preuss","Ni(II) and hs-Fe(II) Complexes of a Paramagnetic Thiazyl Ligand, and Decomposition Products of the Iron Complex, Including an Fe(III) Tetramer","Inorganic Chemistry","2008","47","","10330","10341","10.1021/ic800749b","","","0.71073","MoKα","","0.0821","0.0715","","","0.1923","0.2028","","","","","","1.075","","","","has coordinates,has disorder","179096","2020-10-21","18:00:00",""
"4306484","9.542","0.003","9.823","0.003","7.009","0.002","90","","90","","90","","657","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B3 Cs Ge O7 -","- B3 Cs Ge O7 -","- B12 Cs4 Ge4 O28 -","4","1","","Fang Kong; Hai-Long Jiang; Ting Hu; Jiang-Gao Mao","CsB3GeO7 and K2B2Ge3O10: Explorations of New Second-Order Nonlinear Optical Materials in the Borogermanate Systems","Inorganic Chemistry","2008","47","","10611","10617","10.1021/ic801292p","","","0.71073","MoKα","","0.0157","0.0151","","","0.0342","0.0344","","","","","","1.085","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306488","31.941","0.006","10.668","0.002","13.181","0.003","90","","90","","90","","4491.4","1.6","173","2","171","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H68 Cl2 Ga I3 P2 Pt -","- C37 H68 Cl2 Ga I3 P2 Pt -","- C148 H272 Cl8 Ga4 I12 P8 Pt4 -","4","1","","Holger Braunschweig; Katrin Gruss; Krzysztof Radacki","Reactivity of Pt0 Complexes toward Gallium(III) Halides: Synthesis of a Platinum Gallane Complex and Oxidative Addition of Gallium Halides to Pt0","Inorganic Chemistry","2008","47","","8595","8597","10.1021/ic801293e","","","0.71073","MoKα","","0.0236","0.0229","","","0.0538","0.0541","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306502","14.9818","0.0005","22.0746","0.0007","8.6006","0.0003","90","","90","","90","","2844.37","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[Bis(acetylpyrazine ^4^N-phenylthiosemicarbazonato)-N,N,S-gallium(III)] nitrate monohydrate","","- C26 H26 Ga N11 O4 S2 -","- C26 H26 Ga N11 O4 S2 -","- C104 H104 Ga4 N44 O16 S8 -","4","1","","Christian R. Kowol; Erwin Reisner; Ion Chiorescu; Vladimir B. Arion; Markus Galanski; Dirk V. Deubel; Bernhard K. Keppler","An Electrochemical Study of Antineoplastic Gallium, Iron and Ruthenium Complexes with Redox Noninnocent α-N-Heterocyclic Chalcogensemicarbazones","Inorganic Chemistry","2008","47","","11032","11047","10.1021/ic8013249","","","0.71073","MoKα","","0.0358","0.0267","","","0.0611","0.0721","","","","","","1.095","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306545","20.1736","0.0014","13.6047","0.001","11.2873","0.0008","90","","90","","90","","3097.9","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H32 Cu N5 O15 Tb -","- C24 H32 Cu N5 O15 Tb -","- C96 H128 Cu4 N20 O60 Tb4 -","4","1","","Takashi Kajiwara; Motohiro Nakano; Shinya Takaishi; Masahiro Yamashita","Coordination-Tuned Single-Molecule-Magnet Behavior of TbIII-CuII Dinuclear Systems","Inorganic Chemistry","2008","47","","8604","8606","10.1021/ic8013656","","","0.71073","MoKα","","0.0318","0.0268","","","0.0442","0.0453","","","","","","0.902","","","","has coordinates,has disorder","179103","2020-10-21","18:00:00",""
"4306559","24.5509","0.0006","8.6486","0.0002","17.3592","0.0005","90","","90","","90","","3685.89","0.16","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H56 N2 P4 S2 Te2 -","- C24 H56 N2 P4 S2 Te2 -","- C96 H224 N8 P16 S8 Te8 -","4","1","","Stuart D. Robertson; Tristram Chivers; Heikki M. Tuononen","Experimental and Theoretical Investigations of the Redox Behavior of the Heterodichalcogenido Ligands [(EPiPr2)(TePiPr2)N]-(E = S, Se): Cyclic Cations and Acyclic Dichalcogenide Dimers","Inorganic Chemistry","2008","47","","10634","10643","10.1021/ic801384c","","","0.71073","MoKα","","0.0437","0.0336","","","0.0699","0.0741","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4306681","23.591","0.005","11.032","0.002","16.922","0.003","90","","90","","90","","4404.1","1.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H47 Cl9 Ga2 N2 P2 Si7 -","- C16 H47 Cl9 Ga2 N2 P2 Si7 -","- C64 H188 Cl36 Ga8 N8 P8 Si28 -","4","1","","Alexander Villinger; Andrea Westenkirchner; Ronald Wustrack; Axel Schulz","GaCl3-Assisted Cyclization Reactions in Hypersilyl(trimethylsilyl)aminodichlorophosphine","Inorganic Chemistry","2008","47","","9140","9142","10.1021/ic801501c","","","0.71073","MoKα","","0.0652","0.0412","","","0.0653","0.0727","","","","","","0.937","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306692","18.116","0.016","10.359","0.008","12.148","0.01","90","","90","","90","","2280","3","293","2","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","Di-μ-Carbonyl-bis(pyridino-tricarbonyltechnetium)","","- C18 H10 N2 O8 Tc2 -","- C18 H10 N2 O8 Tc2 -","- C72 H40 N8 O32 Tc8 -","4","1","","Maaz Zuhayra; Ulf Lützen; Arne Lützen; Laszlo Papp; Eberhard Henze; Gernot Friedrichs; Franz Oberdorfer","C-H Bond Activation of Coordinated Pyridine: Ortho-Pyridyl-Ditechnetiumhydridocarbonyl Metal Cyclus. Crystal Structure and Dynamic Behavior in Solution","Inorganic Chemistry","2008","47","","10177","10182","10.1021/ic8015063","","","0.71073","MoKα","","0.0598","0.0516","","0.1457","0.1377","","","","1.103","1.128","1.128","","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306700","16.558","0.005","12.802","0.005","12.896","0.005","90","0.005","90","0.005","90","0.005","2733.6","1.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H27 Cl2 Mn N5 O9 -","- C21 H27 Cl2 Mn N5 O9 -","- C84 H108 Cl8 Mn4 N20 O36 -","4","1","","Sihem Groni; Christelle Hureau; Régis Guillot; Geneviève Blondin; Guillaume Blain; Elodie Anxolabéhère-Mallart","Characterizations of Chloro and Aqua Mn(II) Mononuclear Complexes with Amino-Pyridine Ligands. Comparison of Their Electrochemical Properties With Those of Fe(II) Counterparts","Inorganic Chemistry","2008","47","","11783","11797","10.1021/ic8015172","","x-ray","0.71069","MoKα","","0.0822","0.0721","","","0.206","0.221","","","","","","1.055","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306730","19.629","0.005","11.016","0.003","32.186","0.009","90","","90","","90","","6960","3","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H35 Fe2 N2 O2 P3 S2 -","- C33 H35 Fe2 N2 O2 P3 S2 -","- C264 H280 Fe16 N16 O16 P24 S16 -","8","2","","Matthew T. Olsen; Aaron K. Justice; Frédéric Gloaguen; Thomas B. Rauchfuss; Scott R. Wilson","New Nitrosyl Derivatives of Diiron Dithiolates Related to the Active Site of the [FeFe]-Hydrogenases","Inorganic Chemistry","2008","47","","11816","11824","10.1021/ic801542w","","","0.71073","MoKα","","0.2461","0.0886","","","0.1186","0.1555","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306758","30.4","0.002","10.9345","0.0008","14.7054","0.0011","90","","90","","90","","4888.2","0.6","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C55 H83 Co -","- C55 H83 Co -","- C220 H332 Co4 -","4","1","","Hao Lei; Bobby D. Ellis; Chengbao Ni; Fernande Grandjean; Gary J. Long; Philip P. Power","An Arene-Stabilized Cobalt(I) Aryl: Reactions with CO and NO","Inorganic Chemistry","2008","47","","10205","10207","10.1021/ic8015782","","","0.71073","MoKα","","0.0704","0.0438","","","0.1062","0.1244","","","","","","1.095","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306783","13.737","0.003","10.231","0.003","23.435","0.004","90","","90","","90","","3293.6","1.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H16 B11 Cs -","- C9 H16 B11 Cs -","- C72 H128 B88 Cs8 -","8","2","","Maik Finze","Carba-closo-dodecaborates with One or Two Alkynyl Substituents Bonded to Boron","Inorganic Chemistry","2008","47","","11857","11867","10.1021/ic801610b","","","0.71073","MoKα","","0.0608","0.0503","","","0.1266","0.1343","","","","","","1.065","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306909","11.9728","0.0005","35.8262","0.0014","11.1766","0.0004","90","","90","","90","","4794.1","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C47.5 H56 Pd S4 -","- C47.5 H52 Pd S4 -","- C190 H208 Pd4 S16 -","4","1","","Swarnalatha Kokatam; Kallol Ray; Joseph Pap; Eckhard Bill; William E. Geiger; Robert J. LeSuer; Philip H. Rieger; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Molecular and Electronic Structure of Square-Planar Gold Complexes Containing Two 1,2-Di(4-tert-butylphenyl)ethylene-1,2-dithiolato Ligands: [Au(2L)2]1+/0/1-/2-. A Combined Experimental and Computational Study","Inorganic Chemistry","2007","46","","1100","1111","10.1021/ic061181u","","","0.71073","MoKα","","0.0531","0.0395","","","0.0804","0.0849","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307016","16.0646","0.0009","24.026","0.002","11.9054","0.0007","90","","90","","90","","4595.1","0.5","200.2","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H38 Cu F6 N4.8 O5 S2 -","- C43 H38 Cu F6 N4.8 O5 S2 -","- C172 H152 Cu4 F24 N19.2 O20 S8 -","4","1","","Jing Han; Masahiko Maekawa; Yusaku Suenaga; Hideaki Ebisu; Atsuhiro Nabei; Takayoshi Kuroda-Sowa; Megumu Munakata","Photochromism of Novel Metal Coordination Polymers with 1,2-Bis(2'-methyl-5'-(carboxylic acid)-3'-thienyl)perfluorocyclopentene in the Crystalline Phase","Inorganic Chemistry","2007","46","","3313","3321","10.1021/ic0615168","","","0.7107","MoKα","","","0.0639","","","","0.1265","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4307065","9.8643","0.0014","14.627","0.002","17.117","0.002","90","","90","","90","","2469.7","0.6","150","","150","","","","","","","","synthesis as discussed","5","P n a 21","P 2c -2n","33","","diacetyl-2-(4-N-methyl-3-thiosemicarbazonato)- 3-(4-N-amino-3-thiosemicarbazonato) zinc(II)","","- C7 H13 N7 S2 Zn -","- C7 H13 N7 S2 Zn -","- C56 H104 N56 S16 Zn8 -","8","2","","Jason P. Holland; Franklin I. Aigbirhio; Helen M. Betts; Paul D. Bonnitcha; Paul Burke; Martin Christlieb; Grant C. Churchill; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly; Jennifer C. Green; Josephine M. Peach; Sridhar R. Vasudevan; John E. Warren","Functionalized Bis(thiosemicarbazonato) Complexes of Zinc and Copper: Synthetic Platforms Toward Site-Specific Radiopharmaceuticals","Inorganic Chemistry","2007","46","","465","485","10.1021/ic0615628","","","0.8457","synchrotron","","0.0628","0.038","","0.0607","0.0433","0.0433","","","","","","1.1044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307279","16.9091","0.0015","15.8687","0.0014","8.1595","0.0007","90","","90","","90","","2189.4","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-methoxybenzyl)triphenyltin","","- C26 H24 O Sn -","- C26 H24 O Sn -","- C104 H96 O4 Sn4 -","4","1","","Teresita Munguia; Marcela López-Cardoso; Francisco Cervantes-Lee; Keith H. Pannell","Intramolecular Chalcogen-Tin Interactions in (o-MeE-C6H4)CH2SnPh3-nCln (E = S, O; n= 0, 1, 2), Characterized by X-ray Diffraction and 119Sn Solution and Solid-State NMR","Inorganic Chemistry","2007","46","","1305","1314","10.1021/ic061811s","","","0.71073","MoKα","","0.0226","0.0221","","","0.0584","0.0587","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4307678","28.31","0.006","23.938","0.005","13.435","0.003","90","","90","","90","","9105","3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C102 H144 As2 N6 -","- C102 H144 As2 N6 -","- C408 H576 As8 N24 -","4","1","","Shaun P. Green; Cameron Jones; Guoxia Jin; Andreas Stasch","Base-Stabilized Amidodiarsenes: Synthesis, Structure, and Theoretical Studies","Inorganic Chemistry","2007","46","","8","10","10.1021/ic062163f","","","0.71073","MoKα","","0.0552","0.0412","","","0.0896","0.0958","","","","","","1.041","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307715","14.2385","0.0007","26.3312","0.0013","10.2825","0.0005","90","","90","","90","","3855.1","0.3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H23 Cr Cu2 Mo6 N4 O28 -","- C22 H23 Cr Cu2 Mo6 N4 O28 -","- C88 H92 Cr4 Cu8 Mo24 N16 O112 -","4","1","","Ruige Cao; Shuxia Liu; Linhua Xie; Yibing Pan; Jianfang Cao; Yuanhang Ren; Lin Xu","Organic-Inorganic Hybrids Constructed of Anderson-Type Polyoxoanions and Oxalato-Bridged Dinuclear Copper Complexes","Inorganic Chemistry","2007","46","","3541","3547","10.1021/ic062208c","","","0.71073","MoKα","","0.0559","0.0416","","","0.0782","0.0831","","","","","","1.025","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307716","14.2454","0.0008","26.2933","0.0014","10.2411","0.0005","90","","90","","90","","3835.9","0.4","273","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H23 Al Cu2 Mo6 N4 O28 -","- C22 H23 Al Cu2 Mo6 N4 O28 -","- C88 H92 Al4 Cu8 Mo24 N16 O112 -","4","1","","Ruige Cao; Shuxia Liu; Linhua Xie; Yibing Pan; Jianfang Cao; Yuanhang Ren; Lin Xu","Organic-Inorganic Hybrids Constructed of Anderson-Type Polyoxoanions and Oxalato-Bridged Dinuclear Copper Complexes","Inorganic Chemistry","2007","46","","3541","3547","10.1021/ic062208c","","","0.71073","MoKα","","0.0461","0.0346","","","0.0644","0.0686","","","","","","1.033","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307753","17.498","0.009","13.694","0.007","11.349","0.006","90","","90","","90","","2719","2","173","1","173","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H39 F3 O3 P4 S -","- C18 H39 F3 O3 P4 S -","- C72 H156 F12 O12 P16 S4 -","4","1","","C. Adam Dyker; Neil Burford; Gabriel Menard; Michael D. Lumsden; Andreas Decken","Monocyclic Di- and Triphosphinophosphonium Cations: New Foundational Frameworks for catena-Phosphorus Chemistry","Inorganic Chemistry","2007","46","","4277","4285","10.1021/ic0622499","","x-ray","0.71073","MoKα","","0.1024","0.0446","","","0.0843","0.0966","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308062","12.4914","0.0003","16.8849","0.0003","10.2275","0.0002","90","","90","","90","","2157.14","0.08","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- In3 K5 O21 Si7 -","- In3 K5 O21 Si7 -","- In12 K20 O84 Si28 -","4","1","","Ling-I Hung; Sue-Lein Wang; Hsien-Ming Kao; Kwang-Hwa Lii","Flux Synthesis, Crystal Structures, and Solid-State NMR Spectroscopy of Two Indium Silicates Containing Varied In-O Coordination Geometries","Inorganic Chemistry","2007","46","","3301","3305","10.1021/ic0700349","","","0.71073","MoKα","","0.0195","0.0188","","","0.0481","0.0484","","","","","","0.702","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308132","8.3892","0.0005","18.6742","0.001","10.7301","0.0006","90","","90","","90","","1680.99","0.16","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 Cl Fe N5 O3 -","- C14 H20 Cl Fe N5 O3 -","- C56 H80 Cl4 Fe4 N20 O12 -","4","1","","Ivan V. Korendovych; Olga P. Kryatova; William M. Reiff; Elena V. Rybak-Akimova","Iron(II) Complexes with Amide-Containing Macrocycles as Non-Heme Porphyrin Analogues","Inorganic Chemistry","2007","46","","4197","4211","10.1021/ic0701209","","","0.71073","MoKα","","0.0266","0.0257","","","0.0704","0.0716","","","","","","0.961","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308218","15.6698","0.0007","10.7097","0.0005","17.2643","0.0008","90","","90","","90","","2897.3","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H33 Fe N3 Na O9 S -","- C25 H33 Fe N3 Na O9 S -","- C100 H132 Fe4 N12 Na4 O36 S4 -","4","1","","Ming-Li Tsai; Chung-Hung Hsieh; Wen-Feng Liaw","Dinitrosyl Iron Complexes (DNICs) Containing S/N/O Ligation: Transformation of Roussin's Red Ester into the Neutral {Fe(NO)2}10DNICs","Inorganic Chemistry","2007","46","","5110","5117","10.1021/ic0702567","","","0.71073","MoKα","","0.0555","0.0491","","","0.1186","0.1227","","","","","","1.057","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308233","16.7295","0.0014","12.5227","0.0011","14.9627","0.0012","90","","90","","90","","3134.7","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H43 Cu N2 S -","- C33 H43 Cu N2 S -","- C132 H172 Cu4 N8 S4 -","4","1","","Samuel A. Delp; Colleen Munro-Leighton; Laurel A. Goj; Magaly A. Ramírez; T. Brent Gunnoe; Jeffrey L. Petersen; Paul D. Boyle","Addition of S-H Bonds across Electron-Deficient Olefins Catalyzed by Well-Defined Copper(I) Thiolate Complexes","Inorganic Chemistry","2007","46","","2365","2367","10.1021/ic070268s","","","0.71073","MoKα","","0.0435","0.0341","","","0.085","0.0919","","","","","","1.023","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308488","29.0956","0.0008","15.908","0.0004","14.361","0.0004","90","","90","","90","","6647","0.3","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H80 Na4 O8 S16 U -","- C48 H80 Na4 O8 S16 U -","- C192 H320 Na16 O32 S64 U4 -","4","1","","Mathieu Roger; Thérèse Arliguie; Pierre Thuéry; Marc Fourmigué; Michel Ephritikhine","Homoleptic Tris(dithiolene) and Tetrakis(dithiolene) Complexes of Uranium(IV)","Inorganic Chemistry","2005","44","","594","600","10.1021/ic049054q","","","0.71073","MoKα","","0.0719","0.0435","","","0.0712","0.0791","","","","","","0.984","","","","has coordinates","179122","2020-10-21","18:00:00",""
"4308497","20.723","0.002","5.2095","0.0006","17.8741","0.0019","90","","90","","90","","1929.6","0.4","295","","295","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H16 N2 O17 P4 Zn5 -","- C4 H16 N2 O17 P4 Zn5 -","- C16 H64 N8 O68 P16 Zn20 -","4","1","","Torben R. Jensen; Nicolas Gérentes; Josua Jepsen; Rita G. Hazell; Hans J. Jakobsen","New Amine-Templated Zinc Phosphates with a Temperature-Induced Increase of Structural Dimensionality","Inorganic Chemistry","2005","44","","658","665","10.1021/ic049156g","","","0.71073","MoKα","","0.0496","0.0341","","","0.0661","0.0709","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308628","18.8","0.007","6.54","0.002","18.684","0.007","90","","90","","90","","2297.2","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 N2 O19 Pr2 S -","- C14 H16 N2 O19 Pr2 S -","- C56 H64 N8 O76 Pr8 S4 -","4","1","","Bin Zhao; Long Yi; Yan Dai; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Systematic Investigation of the Hydrothermal Syntheses of Pr(III)-PDA (PDA = Pyridine-2,6-dicarboxylate Anion) Metal-Organic Frameworks","Inorganic Chemistry","2005","44","","911","920","10.1021/ic049498m","","","0.71073","MoKα","","0.0305","0.0264","","","0.0577","0.059","","","","","","1.082","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308920","7.574","0.004","11.662","0.006","33.97","0.019","90","","90","","90","","3001","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-bis(N-trans-4'-dimethyilamino-4-stilbazole-iodide-copper(i))","","- C30 H32 Cu2 I2 N4 -","- C30 H16 Cu2 I2 N4 -","- C120 H64 Cu8 I8 N16 -","4","1","","Elena Cariati; Dominique Roberto; Renato Ugo; Peter C. Ford; Simona Galli; Angelo Sironi","New Structural Motifs, Unusual Quenching of the Emission, and Second Harmonic Generation of Copper(I) Iodide Polymeric or Oligomeric Adducts with Para-Substituted Pyridines or trans-Stilbazoles","Inorganic Chemistry","2005","44","","4077","4085","10.1021/ic050143s","","","0.71073","MoKα","","0.0859","0.0684","","","0.1482","0.1543","","","","","","1.123","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4309076","16.929","0.004","17.526","0.005","12.051","0.003","90","","90","","90","","3575.5","1.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","cis-(3,5-di-tert-butylphenolato){hydrotris(3-isopropyl- pyrazol-1-yl)borato}dioxomolybdenum(VI)","","- C32 H49 B Mo N6 O3 -","- C32 H49 B Mo N6 O3 -","- C128 H196 B4 Mo4 N24 O12 -","4","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.0388","0.0379","","","0.0972","0.0983","","","","","","1.016","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309234","28.567","0.006","14.498","0.003","12.25","0.002","90","","90","","90","","5073.5","1.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H41 Gd2 N5 Ni2 O33 -","- C35 H15 Gd2 N5 Ni2 O33 -","- C140 H60 Gd8 N20 Ni8 O132 -","4","1","","Qi Yue; Jin Yang; Guang-Hua Li; Guo-Dong Li; Wei Xu; Jie-Sheng Chen; Su-Ning Wang","Three-Dimensional 3d-4f Heterometallic Coordination Polymers: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","5241","5246","10.1021/ic048266k","","","0.71073","MoKα","","0.0527","0.0338","","","0.0663","0.0739","","","","","","0.849","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309235","28.843","0.003","14.4325","0.0013","12.2275","0.0009","90","","90","","90","","5090","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H40 Co2 Gd2 N5 O32.5 -","- C35 H15 Co2 Gd2 N5 O32.5 -","- C140 H60 Co8 Gd8 N20 O130 -","4","1","","Qi Yue; Jin Yang; Guang-Hua Li; Guo-Dong Li; Wei Xu; Jie-Sheng Chen; Su-Ning Wang","Three-Dimensional 3d-4f Heterometallic Coordination Polymers: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","5241","5246","10.1021/ic048266k","","","0.71073","MoKα","","0.1276","0.0528","","","0.0818","0.0971","","","","","","0.804","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309236","28.8471","0.0014","14.4534","0.001","12.252","0.0007","90","","90","","90","","5108.3","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H40 Co2 Dy2 N5 O32.5 -","- C35 H15 Co2 Dy2 N5 O32.5 -","- C140 H60 Co8 Dy8 N20 O130 -","4","1","","Qi Yue; Jin Yang; Guang-Hua Li; Guo-Dong Li; Wei Xu; Jie-Sheng Chen; Su-Ning Wang","Three-Dimensional 3d-4f Heterometallic Coordination Polymers: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2005","44","","5241","5246","10.1021/ic048266k","","","0.71073","MoKα","","0.1441","0.058","","","0.1039","0.1255","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309317","15.9987","0.0015","16.1466","0.0015","21.478","0.002","90","","90","","90","","5548.3","0.9","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C59 H79 I2 N3 O Yb2 -","- C59 H79 I2 N3 O Yb2 -","- C236 H316 I8 N12 O4 Yb8 -","4","1","","Jacqueline M. Veauthier; Eric J. Schelter; Christopher J. Kuehl; Aurora E. Clark; Brian L. Scott; David E. Morris; Richard L. Martin; J. D. Thompson; Jaqueline L. Kiplinger; Kevin D. John","Ligand Substituent Effect Observed for Ytterbocene 4'-Cyano-2,2':6',2''-terpyridine","Inorganic Chemistry","2005","44","","5911","5920","10.1021/ic050148p","","","0.71073","MoKα","","0.0838","0.0487","","","0.1058","0.1127","","","","","","0.917","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309600","10.5554","0.0004","12.5362","0.0004","10.829","0.0002","90","","90","","90","","1432.94","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H19 N3 O3 Pt -","- C12 H19 N3 O3 Pt -","- C48 H76 N12 O12 Pt4 -","4","1","","Catelijne H. M. Amijs; Alexsandro Berger; Fouad Soulimani; Tom Visser; Gerard P. M. van Klink; Martin Lutz; Anthony L. Spek; Gerard van Koten","Neutral Pyridyl-Functionalized C,N-ortho-Chelated Aminoaryl Platinum(II) Corner Building Blocks for Application in Coordination Reactions","Inorganic Chemistry","2005","44","","6567","6578","10.1021/ic050697v","","","0.71073","MoKα","","0.0273","0.0214","","","0.0443","0.0464","","","","","","1.032","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309787","25.55","0.02","11.318","0.007","5.848","0.004","90","","90","","90","","1691","2","113","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 Fe N2 O -","- C22 H18 Fe N2 O -","- C88 H72 Fe4 N8 O4 -","4","1","","Aiko Sakamoto; Akira Hirooka; Kosuke Namiki; Masato Kurihara; Masaki Murata; Manabu Sugimoto; Hiroshi Nishihara","Photon-, Electron-, and Proton-Induced Isomerization Behavior of Ferrocenylazobenzenes","Inorganic Chemistry","2005","44","","7547","7558","10.1021/ic051184r","","","0.7107","MoKα","","","0.041","","","","0.092","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309837","22.489","0.005","22.414","0.005","10.422","0.002","90","","90","","90","","5253.4","1.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","[Fe2OnapTPA2](ClO4)3","","","- C48 H45 Cl3 Fe2 N8 O16 -","- C48 H45 Cl3 Fe2 N8 O16 -","- C192 H180 Cl12 Fe8 N32 O64 -","4","1","","Laura B. Picraux; Amanda L. Smeigh; Dong Guo; James K. McCusker","Intramolecular Energy Transfer Involving Heisenberg Spin-Coupled Dinuclear Iron-Oxo Complexes","Inorganic Chemistry","2005","44","","7846","7859","10.1021/ic0506761","","","0.71073","MoKα","","0.0563","0.0475","","","0.1238","0.1304","","","","","","1.058","","","","has coordinates,has disorder","179136","2020-10-21","18:00:00",""
"4309910","12.5147","0.0013","22.536","0.003","4.2994","0.0005","90","","90","","90","","1212.6","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-methyl-benzothiazole-2-thione-di-iodine","","- C8 H7 I2 N S2 -","- C8 H7 I2 N S2 -","- C32 H28 I8 N4 S8 -","4","1","","Ghada J. Corban; Sotiris K. Hadjikakou; Nick Hadjiliadis; Maciej Kubicki; Edward R. T. Tiekink; Ian S. Butler; Evangelos Drougas; Agnie M. Kosmas","Synthesis, Structural Characterization, and Computational Studies of Novel Diiodine Adducts with the Heterocyclic Thioamides N-Methylbenzothiazole-2-thione and Benzimidazole-2-thione: Implications with the Mechanism of Action of Antithyroid Drugs","Inorganic Chemistry","2005","44","","8617","8627","10.1021/ic0484396","","","0.71073","MoKα","","0.1768","0.0401","","","0.0303","0.0456","","","","","","0.79","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309984","24.883","0.003","15.9623","0.0018","17.93","0.002","90","","90","","90","","7121.6","1.4","295","2","295","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[(PCP-C=CHPh)Ru(CO)][BAr'4]","","- C66 H63 B Cl2 F24 O P2 Ru -","- C65 H61 B F24 O P2 Ru -","- C260 H244 B4 F96 O4 P8 Ru4 -","4","1","","Jubo Zhang; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Cynthia S. Day","Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4= 3,5-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene","Inorganic Chemistry","2005","44","","8379","8390","10.1021/ic051074k","","","0.71073","MoKα","","0.1081","0.0676","","","0.1591","0.1806","","","","","","0.929","","","","has coordinates,has disorder","179137","2020-10-21","18:00:00",""
"4310134","20.475","0.002","10.3065","0.0011","16.9806","0.0018","90","","90","","90","","3583.3","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H43 B Ni P3 -","- C41 H43 B Ni P3 -","- C164 H172 B4 Ni4 P12 -","4","1","","Mathivathani Kandiah; G. Sean McGrady; Andreas Decken; Peter Sirsch","[(Triphos)Ni(η2-BH4)]: An Unusual Nickel(I) Borohydride Complex","Inorganic Chemistry","2005","44","","8650","8652","10.1021/ic051541y","","x-ray","0.71073","MoKα","","0.1259","0.0489","","","0.0623","0.0725","","","","","","0.941","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310189","21.336","0.005","10.3805","0.0019","22.577","0.005","90","","90","","90","","5000.3","1.9","298","2","298","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H11 F3 N2 O6 P Re S -","- C20 H11 F3 N2 O6 P Re S -","- C160 H88 F24 N16 O48 P8 Re8 S8 -","8","2","","Sean E. Hightower; Robert C. Corcoran; B. Patrick Sullivan","Unusual, Bifurcated Photoreactivity of a Rhenium(I) Carbonyl Complex of Triethynylphosphine","Inorganic Chemistry","2005","44","","9601","9603","10.1021/ic050901e","","","0.71073","MoKα","","0.0566","0.041","","","0.0962","0.105","","","","","","1.046","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310213","8.1963","0.0003","11.3357","0.0004","16.0763","0.0005","90","","90","","90","","1493.66","0.09","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,3,5-Tri(2-pyridyl)benzene","","- C21 H15 N3 -","- C21 H15 N3 -","- C84 H60 N12 -","4","1","","Sarah J. Farley; David L. Rochester; Amber L. Thompson; Judith A. K. Howard; J. A. Gareth Williams","Controlling Emission Energy, Self-Quenching, and Excimer Formation in Highly Luminescent N^C^N-Coordinated Platinum(II) Complexes","Inorganic Chemistry","2005","44","","9690","9703","10.1021/ic051049e","","","0.71073","MoKα","","0.034","0.0332","","","0.0942","0.0951","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310250","24.549","0.001","17.979","0.001","22.86","0.001","90","","90","","90","","10089.6","0.8","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H153 I Mo9 N4 O37 -","- C64 H144 I Mo9 N4 O37 -","- C256 H576 I4 Mo36 N16 O148 -","4","1","","Daisuke Honda; Tomoji Ozeki; Atsushi Yagasaki","Methoxide of an Anderson-Type Polyoxometalate and Its Conversion to a New Type of Species, [IMo9O32(OH)(OH2)3]4-","Inorganic Chemistry","2005","44","","9616","9618","10.1021/ic051351n","","","0.3282","synchrotron","","0.067","0.0641","","","0.1729","0.1763","","","","","","1.081","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310368","21.9748","0.0003","9.3097","0.0001","16.8162","0.0002","90","","90","","90","","3440.24","0.07","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tetrakis(tetrahydrofuran)europium bis(cyclooctane-1,5-diyl dihydridoborate)","","","- C32 H64 B2 Eu O4 -","- C32 H64 B2 Eu O4 -","- C128 H256 B8 Eu4 O16 -","4","1","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates: An Europium(II) Complex with an Agostic Interaction","Inorganic Chemistry","2004","43","","692","698","10.1021/ic030249s","","","0.71073","MoKα","","0.043","0.0314","","","0.0654","0.0702","","","","","","1.148","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310511","18.28","0.002","14.707","0.0012","12.717","0.0011","90","","90","","90","","3418.9","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Ru Complex","","","- C27 H24 Cl3 N8 O13.5 Ru -","- C27 H23 Cl3 N8 O13.5 Ru -","- C108 H92 Cl12 N32 O54 Ru4 -","4","1","","Nripen Chanda; Shaikh M. Mobin; Vedavati G. Puranik; Anindya Datta; Mark Niemeyer; Goutam Kumar Lahiri","Stepwise Synthesis of [Ru(trpy)(L)(X)]n+ (trpy = 2,2':6',2''-Terpyridine; L = 2,2'-Dipyridylamine; X = Cl-, H2O, NO2-, NO+, O2-). Crystal Structure, Spectral, Electron-Transfer, and Photophysical Aspects","Inorganic Chemistry","2004","43","","1056","1064","10.1021/ic034902n","","","0.7093","MoKα","","0.0884","0.0563","","","0.1089","0.1273","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310609","6.379","0.002","10.06","0.003","27.232","0.009","90","","90","","90","","1747.6","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H11 Cu N10 O2.5 -","- C12 H8 Cu N10 O2.5 -","- C48 H32 Cu4 N40 O10 -","4","1","","Miao Du; Ya-Mei Guo; Shen-Tan Chen; Xian-He Bu; Stuart R. Batten; Joan Ribas; Susumu Kitagawa","Preparation of Acentric Porous Coordination Frameworks from an Interpenetrated Diamondoid Array through Anion-Exchange Procedures: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","1287","1293","10.1021/ic0351242","","","0.71073","MoKα","","0.1382","0.0489","","","0.1229","0.1708","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310653","12.5225","0.0008","9.1018","0.0004","13.6155","0.0008","90","","90","","90","","1551.86","0.15","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H22 Cl3 Co N4 O2 -","- C9 H22 Cl3 Co N4 O2 -","- C36 H88 Cl12 Co4 N16 O8 -","4","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.0337","0.0287","","","0.0633","0.0658","","","","","","1.061","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310677","12.111","0.002","13.081","0.003","15.513","0.003","90","","90","","90","","2457.6","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H26 F6 I N4 P Ru -","- C19 H26 F6 I N4 P Ru -","- C76 H104 F24 I4 N16 P4 Ru4 -","4","1","","Macarena Poyatos; Elena Mas-Marzá; Mercedes Sanaú; Eduardo Peris","Synthesis and Reactivity of New Chelate-N-Heterocyclic Biscarbene Complexes of Ruthenium","Inorganic Chemistry","2004","43","","1793","1798","10.1021/ic035307o","","","0.71073","MoKα","","0.0587","0.0519","","","0.1519","0.1627","","","","","","1.055","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310725","8.4225","0.0017","6.5742","0.0013","12.899","0.003","90","","90","","90","","714.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H3 N O4 Zn -","- C7 H3 N O4 Zn -","- C28 H12 N4 O16 Zn4 -","4","1","","Xinlong Wang; Chao Qin; Enbo Wang; Yangguang Li; Na Hao; Changwen Hu; Lin Xu","Syntheses, Structures, and Photoluminescence of a Novel Class of d10 Metal Complexes Constructed from Pyridine-3,4-dicarboxylic Acid with Different Coordination Architectures","Inorganic Chemistry","2004","43","","1850","1856","10.1021/ic035151s","","","0.71073","MoKα","","0.0308","0.0263","","","0.0457","0.0465","","","","","","0.883","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310859","39.314","0.003","12.0693","0.0009","12.3772","0.0009","90","","90","","90","","5872.9","0.8","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H81 O8 P3 Pt3 Rh2 -","- C44 H81 O8 P3 Pt3 Rh2 -","- C176 H324 O32 P12 Pt12 Rh8 -","4","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Jack L. Smith","Platinum-Rhodium Carbonyl Clusters: New Structures and New Types of Dynamical Activity","Inorganic Chemistry","2004","43","","2695","2702","10.1021/ic0353920","","","0.71073","MoKα","","0.0729","0.0487","","","0.0916","0.0999","","","","","","1.02","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4311028","18.0746","0.0014","8.7561","0.0007","21.0325","0.0016","90","","90","","90","","3328.7","0.4","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","holne56","","","- C33 H50 Fe N2 O -","- C33 H50 Fe N2 O -","- C132 H200 Fe4 N8 O4 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0633","0.0352","","","0.084","0.0972","","","","","","1.005","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311049","27.18","0.005","12.912","0.003","14.454","0.003","90","","90","","90","","5072.6","1.8","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H61 Cl N2 O P2 Ru -","- C58 H61 Cl N2 O P2 Ru -","- C232 H244 Cl4 N8 O4 P8 Ru4 -","4","1","","Christopher J. Adams; Simon J. A. Pope","Diimine-Acetylide Compounds of Ruthenium: The Structural and Spectroscopic Effects of Oxidation","Inorganic Chemistry","2004","43","","3492","3499","10.1021/ic035181v","","","0.71073","MoKα","","0.0866","0.0446","","","0.0824","0.0983","","","","","","1.011","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311057","13.8956","0.0012","16.3362","0.0016","7.334","0.0012","90","","90","","90","","1664.8","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H14 Cl Cu N3 O8 -","- C14 H14 Cl Cu N3 O8 -","- C56 H56 Cl4 Cu4 N12 O32 -","4","1","","Suman Mukhopadhyay; Pabitra Baran Chatterjee; Debdas Mandal; Golam Mostafa; Andrea Caneschi; Joris van Slageren; Timothy J. R. Weakley; Muktimoy Chaudhury","Honeycomb Nets with Interpenetrating Frameworks Involving Iminodiacetato-Copper(II) Blocks and Bipyridine Spacers: Syntheses, Characterization, and Magnetic Studies","Inorganic Chemistry","2004","43","","3413","3420","10.1021/ic035422z","","","0.71073","MoKα","","0.0756","0.0576","","","0.1411","0.1565","","","","","","1.102","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311138","24.111","0.005","8.0886","0.0016","18.448","0.004","90","","90","","90","","3597.8","1.3","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H24 Br4 Cu N2 -","- C10 H24 Br4 Cu N2 -","- C80 H192 Br32 Cu8 N16 -","8","2","","Roger D. Willett; Calin Galeriu; Christopher P. Landee; Mark M. Turnbull; Brendan Twamley","Structure and Magnetism of a Spin Ladder System: (C5H9NH3)2CuBr4","Inorganic Chemistry","2004","43","","3804","3811","10.1021/ic030317a","","","0.71073","MoKα","","0.0954","0.0603","","","0.118","0.1308","","","","","","1.017","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311237","7.9487","0.0006","14.3336","0.001","13.0014","0.0009","90","","90","","90","","1481.29","0.18","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H13 Cl Cu N4 O2 -","- C15 H13 Cl Cu N4 O2 -","- C60 H52 Cl4 Cu4 N16 O8 -","4","1","","Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard","Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies","Inorganic Chemistry","2004","43","","4278","4288","10.1021/ic040036i","","","0.71069","MoKα","","0.0232","0.0221","","","0.0594","0.0603","","","","","","1.051","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311240","7.834","0.003","11.797","0.004","15.281","0.003","90","","90","","90","","1412.2","0.8","299.2","","299.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","","Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard","Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies","Inorganic Chemistry","2004","43","","4278","4288","10.1021/ic040036i","","","0.7107","MoKα","","0.0501","0.05","","0.044","","0.044","","","1.383","","","1.38","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311547","29.931","0.002","8.7984","0.0007","16.809","0.001","90","","90","","90","","4426.6","0.5","293.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C49 H59 B Rh2 S -","- C49 H59 B Rh2 S -","- C196 H236 B4 Rh8 S4 -","4","1","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0417","","","","0.0566","","","","","","0.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311604","17.101","0.002","10.5715","0.0014","19.698","0.003","90","","90","","90","","3561.1","0.8","178","2","178","2","","","","","","","","5","P n a 21","P 2c -2n","33","(7) [Rb(DMP)Ti(DMP)4]inf","","","- C40 H45 O5 Rb Ti -","- C40 H45 O5 Rb Ti -","- C160 H180 O20 Rb4 Ti4 -","4","1","","Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez","Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides","Inorganic Chemistry","2004","43","","6035","6041","10.1021/ic049325x","","","0.71073","MoKα","","0.0703","0.0532","","","0.0855","0.0901","","","","","","1.043","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4311761","19.2487","0.0003","8.4933","0.0001","12.3508","0.0001","90","","90","","90","","2019.17","0.04","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(acetonitrile)-(tris(2-methylaminoethyl)amine)-copper(ii) diperchlorate","","- C11 H27 Cl2 Cu N5 O8 -","- C11 H27 Cl2 Cu N5 O8 -","- C44 H108 Cl8 Cu4 N20 O32 -","4","1","","Adam J. Fischmann; Andrew C. Warden; Jay Black; Leone Spiccia","Synthesis, Characterization, and Structures of Copper(II)-Thiosulfate Complexes Incorporating Tripodal Tetraamine Ligands","Inorganic Chemistry","2004","43","","6568","6578","10.1021/ic0492800","","","0.71073","MoKα","","0.0439","0.032","","","0.071","0.0755","","","","","","1.05","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311917","24.8493","0.0009","13.2818","0.0005","21.6657","0.0008","90","","90","","90","","7150.6","0.5","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H56.75 Mo6 N12 Ni2 O31.5 P2 -","- C60 H42 Mo6 N12 Ni2 O31.4 P2 -","- C240 H168 Mo24 N48 Ni8 O125.6 P8 -","4","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0803","0.0647","","","0.1116","0.1217","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311992","18.4525","0.0008","12.0836","0.0005","16.6622","0.0007","90","","90","","90","","3715.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","CH3CNAg[N{(C3F7)C(Dipp)N}2]","","","- C34 H37 Ag F14 N4 -","- C34 H37 Ag F14 N4 -","- C136 H148 Ag4 F56 N16 -","4","1","","H. V. Rasika Dias; Shreeyukta Singh","Silver(I) Complexes of a Sterically Demanding Fluorinated Triazapentadienyl Ligand [N{(C3F7)C(Dipp)N}2]- (Dipp = 2,6-Diisopropylphenyl)","Inorganic Chemistry","2004","43","","7396","7402","10.1021/ic0491231","","","0.71073","MoKα","","0.0231","0.0221","","","0.055","0.0556","","","","","","1.041","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4312072","9.5923","0.0005","32.8173","0.0016","9.0928","0.0005","90","","90","","90","","2862.4","0.3","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H24 Cr N7 O13.5 -","- C24 H24 Cr N7 O13.5 -","- C96 H96 Cr4 N28 O54 -","4","1","","Colin L. Weeks; Aviva Levina; Carolyn T. Dillon; Peter Turner; Ronald R. Fenton; Peter A. Lay","Synthesis and Characterization of a Chromium(V) cis-Dioxo Bis(1,10-phenanthroline) Complex and Crystal and Molecular Structures of Its Chromium(III) Precursor","Inorganic Chemistry","2004","43","","7844","7856","10.1021/ic049008q","","","0.71073","MoKα","","0.0452","0.0364","","","0.0897","0.0953","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312159","14.3251","0.0004","14.844","0.0005","13.0603","0.0004","90","","90","","90","","2777.17","0.15","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","mu4-seleno-tetrakis(mu2,hapta2-diseleno)-octaiodo-tetratantalum(IV,V)","","- I8 Se9 Ta4 -","- I8 Se9 Ta4 -","- I32 Se36 Ta16 -","4","1","","Maxim N. Sokolov; Artyom L. Gushchin; Alexandr V. Virovets; Eugenia V. Peresypkina; Svetlana G. Kozlova; Vladimir P. Fedin","Synthesis and Characterization of a Novel Tantalum Chalcogen-Rich Molecular Cluster with Square Planar Metal Core","Inorganic Chemistry","2004","43","","7966","7968","10.1021/ic0489239","","","0.71073","MoKα","","0.0193","0.0168","","","0.0371","0.0377","","","","","","1.001","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4312221","16.9605","0.0007","11.0807","0.0004","24.0844","0.0009","90","","90","","90","","4526.3","0.3","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H7 Cl4 Mn Mo O7 S2 -","- C17 H7 Cl4 Mn Mo O7 S2 -","- C136 H56 Cl32 Mn8 Mo8 O56 S16 -","8","2","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoKα","","0.04","0.0335","","","0.0723","0.0753","","","","","","1.018","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312234","16.977","0.003","8.126","0.002","20.628","0.005","90","0","90","0","90","0","2845.7","1.1","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H8 N6 -","- C16 H8 N6 -","- C128 H64 N48 -","8","2","","Maria Pia Donzello; Zhongping Ou; Fabrizio Monacelli; Giampaolo Ricciardi; Corrado Rizzoli; Claudio Ercolani; Karl M. Kadish","Tetra-2,3-pyrazinoporphyrazines with Externally Appended Pyridine Rings. 1. Tetrakis-2,3-[5,6-di(2-pyridyl)pyrazino]porphyrazine: A New Macrocycle with Remarkable Electron-Deficient Properties","Inorganic Chemistry","2004","43","","8626","8636","10.1021/ic048909w","","","1.54178","CuKα","","0.0429","0.035","","0.0961","","0.096","","","0.909","","","0.945","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312419","15.903","0.002","10.3662","0.0013","8.7815","0.0015","90","","90","","90","","1447.7","0.4","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tetracarbony osmium dihexafluoroantimonate","Tetracarbonyl osmium dihexafluoroantimonate","","- C4 F12 O4 Os Sb2 -","- C4 F12 O4 Os Sb2 -","- C16 F48 O16 Os4 Sb8 -","4","1","","In-Chul Hwang; Konrad Seppelt","Fluorination of [Os3(CO)12] and [Ir4(CO)12]","Inorganic Chemistry","2003","42","","7116","7122","10.1021/ic034611e","","","0.71073","MoKα","","0.0229","0.0193","","","0.0387","0.0397","","","","","","0.996","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312494","6.9004","0.0005","26.628","0.002","7.2583","0.0006","90","","90","","90","","1333.67","0.18","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","VO~2~(C~10~H~13~N~2~O~2~)^.^2H~2~O","","","- C10 H17 N2 O6 V -","- C10 H17 N2 O6 V -","- C40 H68 N8 O24 V4 -","4","1","","Kathryn I. Smith; Londa L. Borer; Marilyn M. Olmstead","Vanadium(IV) and Vanadium(V) Complexes of Salicyladimine Ligands","Inorganic Chemistry","2003","42","","7410","7415","10.1021/ic034640p","","","0.71073","MoKα","","0.0499","0.0391","","","0.089","0.0932","","","","","","1.026","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312525","15.401","0.003","17.141","0.003","9.0521","0.0018","90","","90","","90","","2389.7","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H30 Cu N4 O10 -","- C18 H25 Cu N4 O10 -","- C72 H100 Cu4 N16 O40 -","4","1","","Jian-Fang Ma; Jin Yang; Guo-Li Zheng; Li; Jing-Fu Liu","A Porous Supramolecular Architecture from a Copper(II) Coordination Polymer with a 3D Four-Connected 86Net","Inorganic Chemistry","2003","42","","7531","7534","10.1021/ic034846q","","","0.71073","MoKα","","0.058","0.0437","","","0.1058","0.1236","","","","","","0.946","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312560","13.214","0.003","15.653","0.003","11.29","0.002","90","","90","","90","","2335.2","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H34 F3 Mo N3 O6 S -","- C16 H33 F3 Mo N3 O6 S -","- C64 H132 F12 Mo4 N12 O24 S4 -","4","1","","David V. Partyka; Richard J. Staples; R. H. Holm","Nucleophilic Reactivity and Oxo/Sulfido Substitution Reactions of MVIO3 Groups (M = Mo, W)","Inorganic Chemistry","2003","42","","7877","7886","10.1021/ic030185l","","","0.71073","MoKα","","0.0888","0.0497","","","0.1108","0.1252","","","","","","0.972","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312564","14.432","0.003","25.788","0.005","12.065","0.002","90","","90","","90","","4490.3","1.5","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C30 H66 F6 N4 O9 S2 Si W -","- C30 H66 F6 N4 O9.07 S2 Si W -","- C120 H264 F24 N16 O36.28 S8 Si4 W4 -","4","1","","David V. Partyka; Richard J. Staples; R. H. Holm","Nucleophilic Reactivity and Oxo/Sulfido Substitution Reactions of MVIO3 Groups (M = Mo, W)","Inorganic Chemistry","2003","42","","7877","7886","10.1021/ic030185l","","","0.71073","MoKα","","0.039","0.0261","","","0.0569","0.0628","","","","","","0.951","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312565","13.1832","0.0013","15.616","0.0016","11.3168","0.001","90","","90","","90","","2329.8","0.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H34 F3 N3 O6 S W -","- C16 H34 F3 N3 O6 S W -","- C64 H136 F12 N12 O24 S4 W4 -","4","1","","David V. Partyka; Richard J. Staples; R. H. Holm","Nucleophilic Reactivity and Oxo/Sulfido Substitution Reactions of MVIO3 Groups (M = Mo, W)","Inorganic Chemistry","2003","42","","7877","7886","10.1021/ic030185l","","","0.71073","MoKα","","0.0921","0.0426","","","0.0684","0.0779","","","","","","0.847","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312615","15.37","0.002","7.9684","0.0007","18.324","0.002","90","","90","","90","","2244.2","0.4","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H30 N5 O3 V -","- C22 H30 N5 O3 V -","- C88 H120 N20 O12 V4 -","4","1","","Fabien Wolff; Christian Lorber; Robert Choukroun; Bruno Donnadieu","Vanadium(V) Complexes of a Chelating Dianionic [ONNO]-Type Amine Bis(Phenolate) Ligand: Synthesis and Solid State and Solution Structures","Inorganic Chemistry","2003","42","","7839","7845","10.1021/ic034742f","","","0.71073","MoKα","","0.0578","0.043","","","0.0972","0.1044","","","","","","0.976","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312872","12.5277","0.0014","11.576","0.002","11.513","0.002","90","","90","","90","","1669.6","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[{N,N'-bis(salicylidene)-1,3-diaminopropane}manganese(III)] thiocyanate","","- C18 H16 Mn N3 O2 S -","- C18 H16 Mn N3 O2 S -","- C72 H64 Mn4 N12 O8 S4 -","4","1","","S. Sailaja; K. Rajender Reddy; M. V. Rajasekharan; C. Hureau; E. Rivière; J. Cano; J.-J. Girerd","Synthesis, Structure, and Magnetic Properties of [MnIII(salpn)NCS]n, a Helical Polymer, and the Dimer [MnIII(salpn)NCS]2. Weak Ferromagnetism in [MnIII(salpn)NCS]n Related to the Strong Magnetic Anisotropy in Jahn-Teller Mn(III) (salpnH2=N,N'-Bis(salicylidene)-1,3-diaminopropane)","Inorganic Chemistry","2003","42","","180","186","10.1021/ic0256617","","","0.71073","MoKα","","0.0237","0.0219","","0.0585","0.0563","","","","1.049","1.053","1.053","","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312900","7.1605","0.0005","14.179","0.001","9.077","0.0006","90","","90","","90","","921.58","0.11","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H6 Ag N7 O3 -","- C5 H6 Ag N7 O3 -","- C20 H24 Ag4 N28 O12 -","4","1","","Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Brian W. Skelton; Allan H. White","Synthesis and Spectroscopic Characterization of Silver(I) Complexes with the Bis(1,2,4-triazol-1-yl)alkane Ligand tz2(CH2). X-ray Structures of Two- and Three-Dimensional Coordination Polymers","Inorganic Chemistry","2003","42","","112","117","10.1021/ic025981q","","","0.71073","MoKα","","0.019","0.018","","0.024","","0.024","","","1.009","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312992","21.03","0.004","8.73","0.0017","36.9","0.007","90","","90","","90","","6775","2","150","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C68 H94 Cl2 N2 Nb2 O P2 Si2 -","- C68 H92 Cl2 N2 Nb2 O P2 Si2 -","- C272 H368 Cl8 N8 Nb8 O4 P8 Si8 -","4","1","","Georgii I. Nikonov; Philip Mountford; Stuart R. Dubberley","Tantalizing Chemistry of the Half-Sandwich Silylhydride Complexes of Niobium: Identification of Likely Intermediates on the Way to Agostic Complexes","Inorganic Chemistry","2003","42","","258","260","10.1021/ic026017v","","","0.71073","MoKα","","0.0875","0.0548","","","0.1275","0.1628","","","","","","1.041","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4313070","13.9425","0.0003","20.4288","0.0012","9.8366","0.0005","90","","90","","90","","2801.7","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs2Cu5(P2O7)3*3CsCl","","- Cl3 Cs5 Cu5 O21 P6 -","- Cl3 Cs5 Cu5 O21 P6 -","- Cl12 Cs20 Cu20 O84 P24 -","4","1","","Qun Huang; Shiou-Jyh Hwu","The Fascinating Noncentrosymmetric Copper(II) Phosphates Synthesized via CsCl Salt-Inclusion","Inorganic Chemistry","2003","42","","655","657","10.1021/ic026060i","","","0.71073","MoKα","","0.059","0.0587","","","0.1328","0.1329","","","","","","1.298","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313094","15.2671","0.0011","18.9237","0.0014","19.2443","0.0014","90","","90","","90","","5559.9","0.7","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H80 N10 O2 S8 W2 -","- C38 H80 N10 O2 S8 W2 -","- C152 H320 N40 O8 S32 W8 -","4","1","","Wenjian Zhang; Xintao Wu; Biao Wu; Shuyan Yu; Gabriella Santoni; Dieter Rehder","Double-Stranded W/Ag/S Chain Structure Generated from [syn-{WO(NCS)2}2(μ-S)2] Building Blocks","Inorganic Chemistry","2003","42","","1130","1134","10.1021/ic020510p","","","0.71073","MoKα","","0.0433","0.0393","","","0.0969","0.0985","","","","","","1.011","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313186","10.3539","0.0008","28.375","0.005","8.2751","0.0017","90","","90","","90","","2431.2","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H27 N O2 P2 -","- C27 H27 N O2 P2 -","- C108 H108 N4 O8 P8 -","4","1","","Srinivasan Priya; Maravanji S. Balakrishna; Joel T. Mague; Shaikh M. Mobin","Insertion of Carbon Fragments into P(III)-N Bonds in Aminophosphines and Aminobis(phosphines): Synthesis, Reactivity, and Coordination Chemistry of Resulting Phosphine Oxide Derivatives. Crystal and Molecular Structures of (Ph2P(O)CH2)2NR (R = Me,nPr,nBu), Ph2P(O)CH(OH)nPr, and cis-[MoO2Cl2{(Ph2P(O)CH2)2NEt-κO,κO}]","Inorganic Chemistry","2003","42","","1272","1281","10.1021/ic026118t","","","0.71073","MoKα","","0.3863","0.085","","","0.0889","0.1349","","","","","","0.939","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4313243","15.2949","0.0004","9.3417","0.0002","9.3211","0.0002","90","","90","","90","","1331.8","0.05","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H22 B2 Zr -","- C12 H22 B2 Zr -","- C48 H88 B8 Zr4 -","4","1","","Fu-Chen Liu; Ko-Yu Chen; Jung-Hua Chen; Gene-Hsian Lee; Shie-Ming Peng","Syntheses and Structures of Metallocene Methyltrihydroborate Derivativies: Cp2ZrCl{(μ-H)2BHCH3}, Cp2Zr{(μ-H)2BHCH3}2, and Cp2Ti{(μ-H)2BHCH3}","Inorganic Chemistry","2003","42","","1758","1763","10.1021/ic020597e","","","0.71073","MoKα","","0.0687","0.0537","","","0.1142","0.1194","","","","","","1.167","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4313471","16.8541","0.0006","14.2085","0.0006","17.018","0.0006","90","0.001","90","0.001","90","0.001","4075.3","0.3","173","2","173","2","","","","","","","Dr A. Siedle, 3M","4","P n a 21","P 2c -2n","33","99025","","","- C36 H46 F14 N4 -","- C36 H46 F14 N4 -","- C144 H184 F56 N16 -","4","1","","A. R. Siedle; Robert J. Webb; Myles Brostrom; Shih-Hung Chou; David A. Weil; Richard A. Newmark; Fred E. Behr; Victor G. Young","Reactions of the Perfluoroalkyltriazapentadiene Ph2N3C2(C3F7)2H with Acids, Bases, and Water","Inorganic Chemistry","2003","42","","2596","2601","10.1021/ic020716q","","","0.71073","MoKα","","0.1333","0.0662","","0.1135","0.0951","","","","1.05","1.192","1.192","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4313478","17.125","0.0005","12.3036","0.0007","23.8803","0.001","90","","90","","90","","5031.6","0.4","132","2","132","2","","","","","","","","5","P n a 21","P 2c -2n","33","ThPR-Me-3,2-HOPO","Thorium tetrakis(1-Methyl-2-oxo-4-propylcarbamoyl-1,2-dihydro-pyridin-3-olate)","","- C40 H54 N8 O13 Th -","- C40 H51 N8 O13 Th -","- C160 H204 N32 O52 Th4 -","4","1","","Jide Xu; Donald W. Whisenhunt; Alan C. Veeck; Linda C. Uhlir; Kenneth N. Raymond","Thorium(IV) Complexes of Bidentate Hydroxypyridinonates1","Inorganic Chemistry","2003","42","","2665","2674","10.1021/ic0259888","","","0.71073","MoKα","","0.0896","0.0499","","","0.0756","0.0869","","","","","","1.018","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313546","44.897","0.005","14.59","0.002","10.208","0.002","90","","90","","90","","6686.7","1.8","296.2","","296.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H11 O15 P Pt Ru5 -","- C24 H11 O15 P Pt Ru5 -","- C192 H88 O120 P8 Pt8 Ru40 -","8","2","","Richard D. Adams; Burjor Captain; Wei Fu; Perry J. Pellechia","Dynamical Intramolecular Metal-to-Metal Ligand Exchange of Phosphine and Thioether Ligands in Derivatives PtRu5(CO)16(μ6-C)","Inorganic Chemistry","2003","42","","3111","3118","10.1021/ic0207000","","","0.7107","MoKα","","0.0581","0.0581","","0.0798","","0.0798","","","1.668","","","1.668","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313642","9.9641","0.0001","12.8338","0.0001","28.1215","0.0004","90","","90","","90","","3596.1","0.07","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H40 Cl2 Cu N8 Ni2 O17 -","- C22 H38 Cl2 Cu N8 Ni2 O17 -","- C88 H152 Cl8 Cu4 N32 Ni8 O68 -","4","1","","Javier Tercero; Carmen Diaz; Joan Ribas; Miguel Maestro; José Mahía; Helen Stoeckli-Evans","Oxamato-Bridged Trinuclear NiIICuIINiII Complexes: A New (NiIICuIINiII)2 Hexanuclear Complex and Supramolecular Structures. Characterization and Magnetic Properties","Inorganic Chemistry","2003","42","","3366","3373","10.1021/ic026264z","","","0.71073","MoKα","","0.1188","0.0649","","","0.1312","0.1594","","","","","","1.107","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313671","16.4312","0.0003","33.6903","0.0009","25.8835","0.0007","90","","90","","90","","14328.4","0.6","173","2","173","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","[CiI(C7H13N3)2]","","","- C14 H26 Cu I N6 -","- C14 H26 Cu I N6 -","- C448 H832 Cu32 I32 N192 -","32","8","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Structural and Catalytic Properties of Bis(guanidine)copper(I) Halides","Inorganic Chemistry","2003","42","","3154","3156","10.1021/ic034213b","","x-ray","0.71073","MoKα","","0.0971","0.0532","","","0.1026","0.1208","","","","","","1.024","","","","has coordinates,has disorder","179198","2020-10-21","18:00:00",""
"4313750","16.107","0.002","16.113","0.002","25.721","0.003","90","","90","","90","","6675.4","1.4","133.2","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H30 N14 Pd3 -","- C28 H36 N14 Pd3 -","- C224 H288 N112 Pd24 -","8","2","","Umakoshi, Keisuke; Yamauchi, Yoko; Nakamiya, Keiko; Kojima, Takashi; Yamasaki, Mikio; Kawano, Hiroyuki; Onishi, Masayoshi","Pyrazolato-Bridged Polynuclear Palladium and Platinum Complexes. Synthesis, Structure, and Reactivity","Inorganic Chemistry","2003","42","12","3907","3916","10.1021/ic026196g","","","0.7107","MoKα","","","0.0203","","","","0.0579","","","","","","0.82","","","","has coordinates","210302","2020-10-21","18:00:00",""
"4313775","13.8163","0.0019","5.8949","0.0008","5.5852","0.0008","90","","90","","90","","454.89","0.11","193","2","193","2","","","","","","","","3","P n a 21","P 2c -2n","33","neptunyl(V) iodate","","","- I Np O5 -","- I Np O5 -","- I4 Np4 O20 -","4","1","","Thomas E. Albrecht-Schmitt; Philip M. Almond; Richard E. Sykora","Cation-Cation Interactions in Neptunyl(V) Compounds: Hydrothermal Preparation and Structural Characterization of NpO2(IO3) and α- and β-AgNpO2(SeO3)","Inorganic Chemistry","2003","42","","3788","3795","10.1021/ic034124z","","","0.71073","MoKα","","0.0264","0.0197","","","0.0432","0.0447","","","","","","1","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313937","23.647","0.003","11.4698","0.0014","15.802","0.003","90","","90","","90","","4285.9","1.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H51 La2 N10 O25.5 -","- C20 H32 La2 N10 O25.5 -","- C80 H128 La8 N40 O102 -","4","1","","Marlon K. Thompson; Alan J. Lough; Andrew J. P. White; David J. Williams; Ishenkumba A. Kahwa","Formation of Two Diverse Classes of Poly(amino-alkoxide) Chelates and Their Mononuclear and Polynuclear Lanthanide(III) Complexes","Inorganic Chemistry","2003","42","","4828","4841","10.1021/ic020154a","","","1.54178","CuKα","","0.1208","0.1037","","0.3099","0.2728","","","","1.039","1.071","1.071","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314057","38.333","0.004","22.239","0.003","8.448","0.002","90","","90","","90","","7202","2","293","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H48 I10 N4 Pb3 S12 -","- C40 H48 I10 N4 Pb3 S12 -","- C160 H192 I40 N16 Pb12 S48 -","4","1","","Xu-Hui Zhu; Nicolas Mercier; Pierre Frère; Philippe Blanchard; Jean Roncali; Magali Allain; Claude Pasquier; Amédée Riou","Effect of Mono- versus Di-ammonium Cation of 2,2'-Bithiophene Derivatives on the Structure of Organic-Inorganic Hybrid Materials Based on Iodo Metallates","Inorganic Chemistry","2003","42","","5330","5339","10.1021/ic034235y","","x-ray","0.71073","MoKα","","0.1328","0.0577","","","0.1431","0.1732","","","","","","1.009","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314097","29.621","0.005","9.772","0.005","11.557","0.004","90","","90","","90","","3345","2","296.2","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H42 B P S Ti -","- C39 H42 B P S Ti -","- C156 H168 B4 P4 S4 Ti4 -","4","1","","Kazutaka Matsuzaki; Hiroyuki Kawaguchi; Peter Voth; Kyoko Noda; Sumitaka Itoh; Hideo D. Takagi; Kazuo Kashiwabara; Kazuyuki Tatsumi","Syntheses and Characterization of Titanium(IV) and Titanium(III) Complexes with (2-Dimethylphosphino)ethane-1-thiolate and (3-Dimethylphosphino)propane-1-thiolate as Ligands","Inorganic Chemistry","2003","42","","5320","5329","10.1021/ic034353l","","","0.7107","MoKα","","","0.086","","","","0.079","","","","","","1.506","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314100","25.796","0.002","9.973","0.002","9.943","0.002","90","","90","","90","","2558","0.8","296.2","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H30 Cu F6 P3 S2 Ti -","- C18 H30 Cu F6 P3 S2 Ti -","- C72 H120 Cu4 F24 P12 S8 Ti4 -","4","1","","Kazutaka Matsuzaki; Hiroyuki Kawaguchi; Peter Voth; Kyoko Noda; Sumitaka Itoh; Hideo D. Takagi; Kazuo Kashiwabara; Kazuyuki Tatsumi","Syntheses and Characterization of Titanium(IV) and Titanium(III) Complexes with (2-Dimethylphosphino)ethane-1-thiolate and (3-Dimethylphosphino)propane-1-thiolate as Ligands","Inorganic Chemistry","2003","42","","5320","5329","10.1021/ic034353l","","","0.7107","MoKα","","","0.044","","","","0.0497","","","","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314152","7.3142","0.0013","11.631","0.002","9.449","0.0016","90","","90","","90","","803.8","0.2","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- H2 I2 Np O9 -","- I2 Np O9 -","- I8 Np4 O36 -","4","1","","Amanda C. Bean; Brian L. Scott; Thomas E. Albrecht-Schmitt; Wolfgang Runde","Structural and Spectroscopic Trends in Actinyl Iodates of Uranium, Neptunium, and Plutonium","Inorganic Chemistry","2003","42","","5632","5636","10.1021/ic0341688","","","0.71073","MoKα","","0.0326","0.0289","","","0.0604","0.0615","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314291","20.2487","0.001","12.4492","0.0006","22.9565","0.0012","90","","90","","90","","5786.9","0.5","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Potassium tetrakis(N,N'-diphenylformamidinate)divanadate(I,II)","","- C64 H68 K N8 O3 V2 -","- C64 H68 K N8 O3 V2 -","- C256 H272 K4 N32 O12 V8 -","4","1","","F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Xiaoping Wang","New Chemistry of the Triply Bonded Divanadium (V24+) Unit and Reduction to an Unprecedented V23+ Core","Inorganic Chemistry","2003","42","","6063","6070","10.1021/ic034646e","","","0.71073","MoKα","","0.0809","0.0456","","","0.0814","0.0948","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314329","16.107","0.002","16.113","0.002","25.721","0.003","90","","90","","90","","6675.4","1.4","133.2","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H30 N14 Pd3 -","- C28 H36 N14 Pd3 -","- C224 H288 N112 Pd24 -","8","2","","Umakoshi, Keisuke; Yamauchi, Yoko; Nakamiya, Keiko; Kojima, Takashi; Yamasaki, Mikio; Kawano, Hiroyuki; Onishi, Masayoshi","Pyrazolato-Bridged Polynuclear Palladium and Platinum Complexes. Synthesis, Structure, and Reactivity","Inorganic Chemistry","2003","42","20","6584","6584","10.1021/ic030215k","","","0.71069","MoKα","","","0.0203","","","","0.0579","","","","","","0.82","","","","has coordinates","210296","2020-10-21","18:00:00",""
"4314388","14.345","0.003","15.692","0.003","9.175","0.002","90","","90","","90","","2065.3","0.7","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","manganese(II)dichloride monomer","manganesedichloro((1-methylimidazol-2-yl)methyl)((2-pyridyl)methyl) -2-hydroxyphenylamine)","","- C18 H22 Cl2 Mn N4 O2 -","- C18 H21 Cl2 Mn N4 O2 -","- C72 H84 Cl8 Mn4 N16 O8 -","4","1","","Michael U. Triller; Daniel Pursche; Wen-Yuan Hsieh; Vincent L. Pecoraro; Annette Rompel; Bernt Krebs","Catalytic Oxidation of 3,5-Di-tert-butylcatechol by a Series of Mononuclear Manganese Complexes: Synthesis, Structure, and Kinetic Investigation","Inorganic Chemistry","2003","42","","6274","6283","10.1021/ic0347788","","","0.71073","MoKα","","0.0575","0.0468","","","0.1099","0.1158","","","","","","1.064","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4314560","19.791","0.003","17.329","0.002","12.511","0.002","90","","90","","90","","4290.8","1.1","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H63 N5 O2 Zn -","- C46 H63 N5 O2 Zn -","- C184 H252 N20 O8 Zn4 -","4","1","","M. Orio; C. Philouze; O. Jarjayes; F. Neese; F. Thomas","Spin Interaction in Octahedral Zinc Complexes of Mono- and Diradical Schiff and Mannich Bases","Inorganic Chemistry","2010","49","","646","658","10.1021/ic901846u","","","0.71073","MoKα","","0.0555","0.0555","","0.0771","","0.0771","","","1.948","","","1.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314587","10.28057","0.00014","12.28914","0.00017","5.03253","0.00006","90","","90","","90","","635.807","0.014","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C2 H2 K O6 P Zn -","- C2 K O6 P Zn -","- C8 K4 O24 P4 Zn4 -","4","1","","Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda","Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids","Inorganic Chemistry","2010","49","","761","768","10.1021/ic902048b","powder diffraction","x-ray","1.5406","","","","","","","","","0.05892","","3.59","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314730","16.1745","0.0004","12.193","0.0002","12.1745","0.0003","90","","90","","90","","2401","0.09","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H30 N2 O2 Se -","- C28 H30 N2 O2 Se -","- C112 H120 N8 O8 Se4 -","4","1","","Wen Shi; Shuna Sun; Xiaohua Li; Huimin Ma","Imaging Different Interactions of Mercury and Silver with Live Cells by a Designed Fluorescence Probe Rhodamine B Selenolactone","Inorganic Chemistry","2010","49","","1206","1210","10.1021/ic902192a","","","0.71073","MoKα","","0.0862","0.0373","","","0.09","0.1174","","","","","","0.513","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4314805","22.4434","0.0014","8.0692","0.0006","14.1822","0.0011","90","","90","","90","","2568.4","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Cl N P2 Pd -","- C23 H42 Cl N P2 Pd -","- C92 H168 Cl4 N4 P8 Pd4 -","4","1","","Moran Feller; Eyal Ben-Ari; Mark A. Iron; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; Leonid Konstantinovski; David Milstein","Cationic, Neutral, and Anionic PNP PdII and PtII Complexes: Dearomatization by Deprotonation and Double-Deprotonation of Pincer Systems","Inorganic Chemistry","2010","49","","1615","1625","10.1021/ic902012z","","","0.71073","MoKα","","0.0422","0.0401","","","0.0905","0.0921","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4314806","22.4986","0.0005","8.1073","0.0002","14.1611","0.0002","90","","90","","90","","2583.03","0.09","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Cl N P2 Pt -","- C23 H42 Cl N P2 Pt -","- C92 H168 Cl4 N4 P8 Pt4 -","4","1","","Moran Feller; Eyal Ben-Ari; Mark A. Iron; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; Leonid Konstantinovski; David Milstein","Cationic, Neutral, and Anionic PNP PdII and PtII Complexes: Dearomatization by Deprotonation and Double-Deprotonation of Pincer Systems","Inorganic Chemistry","2010","49","","1615","1625","10.1021/ic902012z","","","0.71073","MoKα","","0.0448","0.0307","","","0.0675","0.0714","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4315004","19.5926","0.0016","18.4456","0.0015","8.7253","0.0007","90","","90","","90","","3153.3","0.4","163","2","163","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H30 Cl6 N2 Ti -","- C31 H30 Cl6 N2 Ti -","- C124 H120 Cl24 N8 Ti4 -","4","1","","Kensha Marie Clark; Joseph W. Ziller; Alan F. Heyduk","Steric Control of Coordination Geometry in Titanium-Imido Complexes of N,N'-bis(arylimino)acenaphthylene Ligands","Inorganic Chemistry","2010","49","","2222","2231","10.1021/ic902101z","","","0.71073","MoKα","","0.0326","0.029","","","0.0757","0.0788","","","","","","1.061","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4315087","19.5496","0.0002","13.311","0.0002","18.0652","0.0002","90","","90","","90","","4701.01","0.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H74 Gd N3 O2 Si2 -","- C43 H74 Gd N3 O2 Si2 -","- C172 H296 Gd4 N12 O8 Si8 -","4","1","","Alexandra G. Trambitas; Tarun K. Panda; Jelena Jenter; Peter W. Roesky; Constantin Daniliuc; Cristian G. Hrib; Peter G. Jones; Matthias Tamm","Rare-Earth Metal Alkyl, Amido, and Cyclopentadienyl Complexes Supported by Imidazolin-2-iminato Ligands: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2010","49","","2435","2446","10.1021/ic9024052","","","0.71073","MoKα","","0.0385","0.0212","","","0.0297","0.0308","","","","","","0.782","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315197","17.817","0.0003","8.345","0.0001","12.542","0.0002","90","","90","","90","","1864.78","0.05","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H28 Cl2 N4 Pd -","- C14 H28 Cl2 N4 Pd -","- C56 H112 Cl8 N16 Pd4 -","4","1","","Ching-Feng Fu; Chun-Chin Lee; Yi-Hung Liu; Shie-Ming Peng; Stefan Warsink; Cornelis J. Elsevier; Jwu-Ting Chen; Shiuh-Tzung Liu","Biscarbene Palladium(II) Complexes. Reactivity of Saturated Versus Unsaturated N-Heterocyclic Carbenes","Inorganic Chemistry","2010","49","","3011","3018","10.1021/ic9025188","","","0.71073","MoKα","","0.0817","0.0694","","","0.1485","0.1555","","","","","","1.229","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315220","17.3484","0.0006","9.2771","0.0003","15.7591","0.0005","90","","90","","90","","2536.31","0.14","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H3 Fe5 N Ni O15 -","- C18 H3 Fe5 N Ni O15 -","- C72 H12 Fe20 N4 Ni4 O60 -","4","1","","Sumit Saha; Lei Zhu; Burjor Captain","Synthesis and Structural Characterization of Bimetallic Iron-Nickel Carbido Cluster Complexes","Inorganic Chemistry","2010","49","","3465","3472","10.1021/ic100057x","","","0.71073","MoKα","","0.0392","0.0304","","","0.067","0.0712","","","","","","1.066","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315222","20.8118","0.0011","10.3605","0.0005","10.7284","0.0006","90","","90","","90","","2313.3","0.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H3 Fe5 N Ni O15 -","- C16 H3 Fe5 N Ni O15 -","- C64 H12 Fe20 N4 Ni4 O60 -","4","1","","Sumit Saha; Lei Zhu; Burjor Captain","Synthesis and Structural Characterization of Bimetallic Iron-Nickel Carbido Cluster Complexes","Inorganic Chemistry","2010","49","","3465","3472","10.1021/ic100057x","","","0.71073","MoKα","","0.0362","0.0333","","","0.0786","0.0803","","","","","","1.004","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315349","17.79","0.009","14.919","0.007","9.317","0.004","90","","90","","90","","2473","2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","SiP3(dmpe)Fe","","","- C16 H43 Fe P5 Si -","- C16 H43 Fe P5 Si -","- C64 H172 Fe4 P20 Si4 -","4","1","","Kristen A. Thoreson; Angela D. Follett; Kristopher McNeill","Synthesis and Characterization of Pentaphosphino Zero-Valent Iron Complexes and Their Corresponding Iron(II)-Chloride and -Hydride Complexes","Inorganic Chemistry","2010","49","","3942","3949","10.1021/ic1003325","","","0.71073","MoKα","","0.0432","0.0339","","","0.062","0.0645","","","","","","1.027","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315354","10.9934","0.0005","21.7362","0.001","12.5168","0.0005","90","","90","","90","","2990.9","0.2","103","2","103","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H35 F Mn N6 O3 -","- C30 H35 F Mn N6 O3 -","- C120 H140 F4 Mn4 N24 O12 -","4","1","","Ryan L. Shook; A. S. Borovik","Role of the Secondary Coordination Sphere in Metal-Mediated Dioxygen Activation","Inorganic Chemistry","2010","49","","3646","3660","10.1021/ic901550k","","","0.71073","MoKα","","0.0341","0.0291","","","0.0685","0.0713","","","","","","1.032","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315415","7.2453","0.0009","16.174","0.002","22.279","0.003","90","","90","","90","","2610.8","0.6","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H19 F6 N3 O8 S3 -","- C20 H19 F6 N3 O8 S3 -","- C80 H76 F24 N12 O32 S12 -","4","1","","Caleb D. Martin; Paul J. Ragogna","Reactions of α-Diimine Ligands with the in Situ Generated ""S(OTf)2"" Synthon","Inorganic Chemistry","2010","49","","4324","4330","10.1021/ic100320u","","","0.71073","MoKα","","0.0917","0.0597","","","0.1305","0.1476","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4315530","14.464","0.005","21.109","0.003","18.2313","0.0014","90","","90","","90","","5566","2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H80 Ge Li O P3 Si6 -","- C43 H80 Ge Li O P3 Si6 -","- C172 H320 Ge4 Li4 O4 P12 Si24 -","4","1","","Keith Izod; John Stewart; Ewan R. Clark; William Clegg; Ross W. Harrington","Germanium(II) and Tin(II) Complexes of a Sterically Demanding Phosphanide Ligand","Inorganic Chemistry","2010","49","","4698","4707","10.1021/ic1003534","","","0.71073","MoKα","","0.0698","0.0543","","","0.1321","0.1463","","","","","","1.07","","","","has coordinates,has disorder","179235","2020-10-21","18:00:00",""
"4315863","14.3804","0.0004","13.8008","0.0004","14.2473","0.0003","90","","90","","90","","2827.53","0.13","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H52 N4 Ni O4 S2 -","- C22 H52 N4 Ni O4 S2 -","- C88 H208 N16 Ni4 O16 S8 -","4","1","","Vaidyanathan Mathrubootham; Jason Thomas; Richard Staples; John McCraken; Jason Shearer; Eric L. Hegg","Bisamidate and Mixed Amine/Amidate NiN2S2 Complexes as Models for Nickel-Containing Acetyl Coenzyme A Synthase and Superoxide Dismutase: An Experimental and Computational Study","Inorganic Chemistry","2010","49","","5393","5406","10.1021/ic9023053","","x-ray","0.71073","MoKα","","0.0424","0.037","","","0.0868","0.0892","","","","","","0.992","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315973","13.986","0.01","10.472","0.011","17.895","0.014","90","","90","","90","","2621","4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","LHL2155","","","- C20 H50 N2 P4 Ru -","- C20 H50 N2 P4 Ru -","- C80 H200 N8 P16 Ru4 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno","Side-on Bound Diazene and Hydrazine Complexes of Ruthenium","Inorganic Chemistry","2010","49","","6214","6221","10.1021/ic100821u","","","0.71073","MoKα","","0.0422","0.0347","","","0.0728","0.0762","","","","","","1.035","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4316024","23.33633","0.00006","15.28041","0.00009","14.70443","0.00007","90","","90","","90","","5243.43","0.04","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C63 H51 Cl Cu N3 P4 -","- C63 H51 Cl Cu N3 P4 -","- C252 H204 Cl4 Cu4 N12 P16 -","4","1","","Jeroen Wassenaar; Maxime A. Siegler; Anthony L. Spek; Bas de Bruin; Joost N. H. Reek; Jarl Ivar van der Vlugt","Versatile New C3-Symmetric Tripodal Tetraphosphine Ligands; Structural Flexibility to Stabilize CuI and RhI Species and Tune Their Reactivity","Inorganic Chemistry","2010","49","","6495","6508","10.1021/ic100221w","","","0.71073","MoKα","","0.0412","0.0309","","","0.0651","0.07","","","","","","1.043","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316068","14.686","0.0016","5.2072","0.0006","8.107","0.0009","90","","90","","90","","619.97","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Cl O F2 (As F6)","","","- As Cl F8 O -","- As Cl F8 O -","- As4 Cl4 F32 O4 -","4","1","","David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi","XeF2 Coordination to a Halogen Center; Raman Spectra (n= 1, 2) and X-ray Crystal Structures (n= 2) of [BrOF2][AsF6].nXeF2 and [XOF2][AsF6] (X = Cl, Br)","Inorganic Chemistry","2010","49","","6673","6689","10.1021/ic100712y","","","0.71073","MoKα","","0.0391","0.0304","","","0.0634","0.0656","","","","","","1.038","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316123","15.665","0.0009","18.409","0.0012","8.855","0.0005","90","","90","","90","","2553.6","0.3","288","2","288","2","","","","","","","","6","P n a 21","P 2c -2n","33","Cu(pytren-2py)","","","- C19 H28 Cl2 Cu N6 O8 -","- C19 H28 Cl2 Cu N6 O8 -","- C76 H112 Cl8 Cu4 N24 O32 -","4","1","","Salvador Blasco; Begoña Verdejo; M. Paz Clares; Carmen E. Castillo; Andrés G. Algarra; Julio Latorre; M. Angeles Máñez; Manuel G. Basallote; Conxa Soriano; Enrique García-España","Hydrogen and Copper Ion Induced Molecular Reorganizations in Two New Scorpiand-Like Ligands Appended with Pyridine Rings","Inorganic Chemistry","2010","49","","7016","7027","10.1021/ic100609h","","","0.71073","MoKα","","0.1947","0.0858","","","0.2035","0.2669","","","","","","1.012","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316147","18.8495","0.0006","10.6597","0.0004","39.7552","0.0013","90","","90","","90","","7988","0.5","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H37 Cl2 N4 O16.5 Zn -","- C24 H20 Cl2 N4 O16.5 Zn -","- C192 H160 Cl16 N32 O132 Zn8 -","8","2","","Abdul Malik Puthan Peedikakkal; Charlene Shi Yun Peh; Lip Lin Koh; Jagadese J. Vittal","Metal-Organic Frameworks Containing a Tetrapyridylcyclobutane Ligand Derived from Isomerization Reaction","Inorganic Chemistry","2010","49","","6775","6777","10.1021/ic100853h","","","0.71073","MoKα","","0.1181","0.0868","","","0.2233","0.2475","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316244","20.87","0.004","6.879","0.0014","20.667","0.004","90","","90","","90","","2967.1","1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C27 H30 Cl2 Cu I O2 S3 -","- C27 H30 Cl2 Cu I O2 S3 -","- C108 H120 Cl8 Cu4 I4 O8 S12 -","4","1","","Eun-Ju Kang; So Young Lee; Hayan Lee; Shim Sung Lee","Sulfur-Containing Mixed-Donor Tribenzo-Macrocycles and Their Endo- and Exocyclic Supramolecular Silver(I) and Copper(I) Complexes","Inorganic Chemistry","2010","49","","7510","7520","10.1021/ic1007473","","","0.71073","synchrotron","","0.0484","0.0415","","","0.1103","0.1188","","","","","","1.044","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4316271","9.0188","0.0005","21.9007","0.0014","12.4198","0.0007","90","","90","","90","","2453.1","0.2","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H30 B Cl Cu F4 N4 -","- C24 H30 B Cl Cu F4 N4 -","- C96 H120 B4 Cl4 Cu4 F16 N16 -","4","1","","Lei Chu; Kenneth I. Hardcastle; Cora E. MacBeth","Transition Metal Complexes Supported by a Neutral Tetraamine Ligand Containing N,N-dimethylaniline Units","Inorganic Chemistry","2010","49","","7521","7529","10.1021/ic1008347","","","0.71073","MoKα","","0.0659","0.0558","","","0.1478","0.1552","","","","","","1.044","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4316390","28.713","0.003","10.2867","0.001","16.8039","0.0017","90","","90","","90","","4963.2","0.9","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C57 H51 Cu F6 P4 -","- C57 H51 Cu F6 P4 -","- C228 H204 Cu4 F24 P16 -","4","1","","Matthew F. Cain; Russell P. Hughes; David S. Glueck; James A. Golen; Curtis E. Moore; Arnold L. Rheingold","Synthesis and Structure of Intermediates in Copper-Catalyzed Alkylation of Diphenylphosphine","Inorganic Chemistry","2010","49","","7650","7662","10.1021/ic100816u","","","0.71073","MoKα","","0.0852","0.0676","","","0.1278","0.1371","","","","","","1.055","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316396","19.6771","0.0017","8.1679","0.0005","18.4252","0.0012","90","","90","","90","","2961.3","0.4","123","","123","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C29 H42 F2 N4 Pt -","- C29 H42 F2 N4 Pt -","- C116 H168 F8 N16 Pt4 -","4","1","","Andreas F. Rausch; Uwe V. Monkowius; Manfred Zabel; Hartmut Yersin","Bright Sky-Blue Phosphorescence of [n-Bu4N][Pt(4,6-dFppy)(CN)2]: Synthesis, Crystal Structure, and Detailed Photophysical Studies","Inorganic Chemistry","2010","49","","7818","7825","10.1021/ic100851b","","","0.71073","MoKα","","0.0192","0.0164","","","0.0386","0.0392","","","","","","1.015","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316528","16.978","0.005","31.18","0.01","18.16","0.005","90","","90","","90","","9613","5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23.33 H46.67 Fe N9 O4.33 S3 -","- C23.3333 H46.6667 Fe N9 O4.33333 S3 -","- C280 H560 Fe12 N108 O52 S36 -","12","3","","Karthik Ramasamy; Mohammad A. Malik; Madeline Helliwell; Floriana Tuna; Paul O'Brien","Iron Thiobiurets: Single-Source Precursors for Iron Sulfide Thin Films","Inorganic Chemistry","2010","49","","8495","8503","10.1021/ic1011204","","","0.71073","MoKα","","0.1536","0.1007","","","0.2103","0.2361","","","","","","1.011","","","","has coordinates,has disorder","179245","2020-10-21","18:00:00",""
"4316536","18.114","0.004","13.436","0.003","20.65","0.004","90","","90","","90","","5025.8","1.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H86 N O3 Si3 Ta -","- C42 N O3 Si3 Ta -","- C168 N4 O12 Si12 Ta4 -","4","1","","Elliott B. Hulley; Jeffrey B. Bonanno; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Pnictogen-Hydride Activation by (silox)3Ta (silox =tBu3SiO); Attempts to Circumvent the Constraints of Orbital Symmetry in N2 Activation","Inorganic Chemistry","2010","49","","8524","8544","10.1021/ic101147x","","","0.71069","MoKα","","0.0733","0.0415","","","0.0976","0.1186","","","","","","1.08","","","","has coordinates,has disorder","179245","2020-10-21","18:00:00",""
"4317064","18.716","0.0017","10.9827","0.001","14.4363","0.0013","90","","90","","90","","2967.4","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(1,2-Dicarba-closo-dodecaboran-9-yl)benzamide","","- C9 H17 B10 N O -","- C9 H17 B10 N O -","- C72 H136 B80 N8 O8 -","8","2","","Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne","Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes","Inorganic Chemistry","2010","49","","10627","10634","10.1021/ic101620h","","","0.71073","MoKα","","0.0436","0.0368","","","0.0893","0.0931","","","","","","1.051","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317211","25.435","0.002","11.2199","0.001","16.787","0.0015","90","","90","","90","","4790.6","0.7","291","2","291","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H54 B20 Cl O Ru3 S8 -","- C26 H54 B20 Cl O Ru3 S8 -","- C104 H216 B80 Cl4 O4 Ru12 S32 -","4","1","","Jiurong Hu; Guifeng Liu; Qibai Jiang; Rui Zhang; Wei Huang; Hong Yan","Controlled Assembly of Ruthenium Complexes through ortho-Carborane Dithiolate and Polysulfide Ligands","Inorganic Chemistry","2010","49","","11199","11204","10.1021/ic101817u","","","0.71073","MoKα","","0.0734","0.0585","","","0.1186","0.1217","","","","","","1.015","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317377","20.4302","0.0015","8.5552","0.0007","9.8549","0.0007","90","","90","","90","","1722.5","0.2","293","2","293","2","","","","","","","synthetic","4","P n a 21","P 2c -2n","33","","","","- Cs2 Mo3 O16 U2 -","- Cs2 Mo3 O16 U2 -","- Cs8 Mo12 O64 U8 -","4","1","","Sergey V. Krivovichev; Christopher L. Cahill; Peter C. Burns","Syntheses and Crystal Structures of Two Topologically Related Modifications of Cs2[(UO2)2(MoO4)3]","Inorganic Chemistry","2002","41","","34","39","10.1021/ic010345y","","","0.71073","MoKα","","0.0432","0.0295","","","0.0489","0.0513","","","","","","0.919","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317480","12.569","0.006","18.423","0.009","18.919","0.009","90","","90","","90","","4381","4","273.2","","273.2","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H40 Cl3 Cu2 F N6 O16 -","- C35 H40 Cl3 Cu2 F N6 O16 -","- C140 H160 Cl12 Cu8 F4 N24 O64 -","4","1","","C. Belle; C. Beguin; I. Gautier-Luneau; S. Hamman; C. Philouze; J. L. Pierre; F. Thomas; S. Torelli; E. Saint-Aman; M. Bonin","Dicopper(II) Complexes of H-BPMP-Type Ligands: pH-Induced Changes of Redox, Spectroscopic (19F NMR Studies of Fluorinated Complexes), Structural Properties, and Catecholase Activities","Inorganic Chemistry","2002","41","","479","491","10.1021/ic010534g","","","0.7107","MoKα","","0.0636","0.0636","","0.0391","","0.0391","","","1.971","","","1.971","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4317485","16.8287","0.0011","20.1393","0.0014","16.2498","0.0011","90","","90","","90","","5507.4","0.6","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H20 F24 Mn2 N6 Ni O12 -","- C44 H20 F24 Mn2 N6 Ni O12 -","- C176 H80 F96 Mn8 N24 Ni4 O48 -","4","1","","Asako Kamiyama; Tomoko Noguchi; Takashi Kajiwara; Tasuku Ito","Syntheses, Structures, and Properties of Trinuclear Complexes [M(bpca)2{M'(hfac)2}2], Constructed with the Complexed Bridging Ligand [M(bpca)2] [M, M' = Ni(II), Mn(II); Cu(II), Mn(II); Fe(II), Mn(II); Ni(II), Fe(II); and Fe(II), Fe(II); Hbpca = Bis(2-pyridylcarbonyl)amine, Hhfac = Hexafluoroacetylacetone]","Inorganic Chemistry","2002","41","","507","512","10.1021/ic010731f","","","0.71073","MoKα","","0.0805","0.0505","","","0.1173","0.1285","","","","","","0.946","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317486","16.934","0.0009","20.1064","0.0009","16.2375","0.0008","90","","90","","90","","5528.6","0.5","203","2","203","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H20 Cu F24 Mn2 N6 O12 -","- C44 H20 Cu F24 Mn2 N6 O12 -","- C176 H80 Cu4 F96 Mn8 N24 O48 -","4","1","","Asako Kamiyama; Tomoko Noguchi; Takashi Kajiwara; Tasuku Ito","Syntheses, Structures, and Properties of Trinuclear Complexes [M(bpca)2{M'(hfac)2}2], Constructed with the Complexed Bridging Ligand [M(bpca)2] [M, M' = Ni(II), Mn(II); Cu(II), Mn(II); Fe(II), Mn(II); Ni(II), Fe(II); and Fe(II), Fe(II); Hbpca = Bis(2-pyridylcarbonyl)amine, Hhfac = Hexafluoroacetylacetone]","Inorganic Chemistry","2002","41","","507","512","10.1021/ic010731f","","","0.71073","MoKα","","0.0813","0.0382","","","0.0735","0.0838","","","","","","0.889","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317487","16.6214","0.001","20.0138","0.0013","16.2297","0.001","90","","90","","90","","5398.9","0.6","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H20 F24 Fe Mn2 N6 O12 -","- C44 H20 F24 Fe Mn2 N6 O12 -","- C176 H80 F96 Fe4 Mn8 N24 O48 -","4","1","","Asako Kamiyama; Tomoko Noguchi; Takashi Kajiwara; Tasuku Ito","Syntheses, Structures, and Properties of Trinuclear Complexes [M(bpca)2{M'(hfac)2}2], Constructed with the Complexed Bridging Ligand [M(bpca)2] [M, M' = Ni(II), Mn(II); Cu(II), Mn(II); Fe(II), Mn(II); Ni(II), Fe(II); and Fe(II), Fe(II); Hbpca = Bis(2-pyridylcarbonyl)amine, Hhfac = Hexafluoroacetylacetone]","Inorganic Chemistry","2002","41","","507","512","10.1021/ic010731f","","","0.71073","MoKα","","0.0719","0.0465","","","0.1122","0.123","","","","","","0.956","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317508","22.524","0.001","9.1893","0.0003","18.2715","0.0003","90","","90","","90","","3781.8","0.2","173.2","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H30 O2 P2 S4 W -","- C36 H30 O2 P2 S4 W -","- C144 H120 O8 P8 S16 W4 -","4","1","","Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi","Trithiotungsten(VI) Complexes Having Phosphine-Thiolate Hybrid Ligands: Synthesis and Cluster Forming Reactions with CuBr, FeCl2, and [Fe(CH3CN)6](ClO4)2","Inorganic Chemistry","2002","41","","513","520","10.1021/ic010921q","","","0.7107","MoKα","","","0.0362","","","","0.0454","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317545","17.538","0.002","4.814","0.0009","5.719","0.001","90","0","90","0","90","0","482.84","0.14","298","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H5 Fe O4 P -","- C H5 Fe O4 P -","- C4 H20 Fe4 O16 P4 -","4","1","","Carlo Bellitto; Fulvio Federici; Marcello Colapietro; Gustavo Portalone; Daniela Caschera","X-ray Single-Crystal Structure and Magnetic Properties of Fe[CH3PO3)].H2O: A Layered Weak Ferromagnet","Inorganic Chemistry","2002","41","","709","714","10.1021/ic0107126","","","0.71069","MoKα","","0.0363","","","0.0516","","","","","0.985","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4317599","17.1148","0.0012","10.5537","0.0007","19.649","0.0013","90","","90","","90","","3549.1","0.4","168","2","168","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tl[Ti(DMP)5]","","","- C40 H45 O5 Ti Tl -","- C40 H45 O5 Ti Tl -","- C160 H180 O20 Ti4 Tl4 -","4","1","","Timothy J. Boyle; Cecilia A. Zechmann; Todd M. Alam; Mark A. Rodriguez; Cybele A. Hijar; Brian L. Scott","From Clusters to Ionic Complexes: Structurally Characterized Thallium Titanium Double Alkoxides","Inorganic Chemistry","2002","41","","946","957","10.1021/ic0110833","","","0.71073","MoKα","","0.0475","0.0371","","","0.0965","0.1005","","","","","","1.037","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317706","22.233","0.0004","10.3879","0.0004","29.6866","0.0006","90","","90","","90","","6856.2","0.3","213","2","213","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C64 H112 B2 Br2 N2 Ni S4 -","- C64 H112 B2 Br2 N2 Ni S4 -","- C256 H448 B8 Br8 N8 Ni4 S16 -","4","1","","Pinghua Ge; Arnold L. Rheingold; Charles G. Riordan","Nickel Complexes of Bidentate [S2] and [SN] Borato Ligands","Inorganic Chemistry","2002","41","","1383","1390","10.1021/ic010966r","","","0.71073","MoKα","","0.1015","0.058","","0.1893","0.1538","","","","1.083","1.057","1.057","","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317876","9.3309","0.0018","16.322","0.002","17.059","0.005","90","","90","","90","","2598.1","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H11 F5 N2 Si -","- C10 H11 F5 N2 Si -","- C80 H88 F40 N16 Si8 -","8","2","","Carsten Knapp; Enno Lork; Paul G. Watson; Rüdiger Mews","Lithium Fluoroarylamidinates: Syntheses, Structures, and Reactions","Inorganic Chemistry","2002","41","","2014","2025","10.1021/ic011099t","","","0.71073","MoKα","","0.0775","0.0495","","","0.0994","0.1103","","","","","","1.037","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4317936","13.5994","0.0004","9.6053","0.0003","16.3449","0.0004","90","","90","","90","","2135.07","0.11","153","2","153","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H21 Cl N O S2 V -","- C18 H21 Cl N O S2 V -","- C72 H84 Cl4 N4 O4 S8 V4 -","4","1","","Henning Nekola; Dongren Wang; Cerstin Grüning; Jessica Gätjens; Axel Behrens; Dieter Rehder","Thiofunctional Vanadium Complexes","Inorganic Chemistry","2002","41","","2379","2384","10.1021/ic011118z","","","0.71073","MoKα","","0.0975","0.0802","","","0.2382","0.2502","","","","","","1.069","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4318111","19.0544","0.0012","17.6596","0.001","17.3178","0.0011","90","","90","","90","","5827.3","0.6","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","none","Tetrakis(tetraethylammonium) bis(ethanedithiolato)-(mu-4-sulfido) -bis(mu-3-dulfido)-hexakis(mu-2-sulfido)-tetra-iron-di-molybdenum","","- C36 H88 Fe4 Mo2 N4 S13 -","- C36 H88 Fe4 Mo2 N4 S13 -","- C144 H352 Fe16 Mo8 N16 S52 -","4","1","","Hong-Cai Zhou; Weiping Su; Catalina Achim; P. Venkateswara Rao; R. H. Holm","High-Nuclearity Sulfide-Rich Molybdenum-Iron-Sulfur Clusters: Reevaluation and Extension","Inorganic Chemistry","2002","41","","3191","3201","10.1021/ic0201250","","","0.71073","MoKα","","0.0821","0.0644","","","0.1454","0.1571","","","","","","1.099","","","","has coordinates,has disorder","179261","2020-10-21","18:00:00",""
"4318147","19.5002","0.0012","13.0582","0.0008","14.5741","0.0009","90","","90","","90","","3711.1","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H34 La N11 O13 -","- C28 H34 La N11 O13 -","- C112 H136 La4 N44 O52 -","4","1","","Christophe Lescop; Elie Belorizky; Dominique Luneau; Paul Rey","Synthesis, Structures, and Magnetic Properties of a Series of Lanthanum(III) and Gadolinium(III) Complexes with Chelating Benzimidazole-Substituted Nitronyl Nitroxide Free Radicals. Evidence for Antiferromagnetic GdIII-Radical Interactions","Inorganic Chemistry","2002","41","","3375","3384","10.1021/ic0200038","","","0.71073","MoKα","","0.0868","0.0331","","0.1146","0.077","","","","0.629","0.558","0.558","","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318148","19.1831","0.001","13.16","0.0007","14.4107","0.0007","90","","90","","90","","3638","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H34 Gd N11 O13 -","- C28 H34 Gd N11 O13 -","- C112 H136 Gd4 N44 O52 -","4","1","","Christophe Lescop; Elie Belorizky; Dominique Luneau; Paul Rey","Synthesis, Structures, and Magnetic Properties of a Series of Lanthanum(III) and Gadolinium(III) Complexes with Chelating Benzimidazole-Substituted Nitronyl Nitroxide Free Radicals. Evidence for Antiferromagnetic GdIII-Radical Interactions","Inorganic Chemistry","2002","41","","3375","3384","10.1021/ic0200038","","","0.71073","MoKα","","0.0382","0.0206","","0.0625","0.0528","","","","0.393","0.404","0.404","","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318220","29.6352","0.0007","16.3231","0.0003","12.3117","0.0003","90","","90","","90","","5955.6","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H24 Cl2 O22 Os6 P4 -","- C48 H24 Cl2 O22 Os6 P4 -","- C192 H96 Cl8 O88 Os24 P16 -","4","1","","Siau-Gek Ang; Zhong; How-Ghee Ang","1,2,3,4-Tetraphenyl-1,2,3,4-tetraphospholane, a Highly Versatile Cyclocarbaphosphine Ligand: Reactions with Activated Triosmium Clusters and Characterization of the Products","Inorganic Chemistry","2002","41","","3791","3800","10.1021/ic025589c","","","0.71073","MoKα","","0.0927","0.0494","","","0.0752","0.0873","","","","","","1.037","","","","has coordinates","179262","2020-10-21","18:00:00",""
"4318308","16.453","0.002","10.246","0.001","13.488","0.001","90","","90","","90","","2273.8","0.4","173.2","","173.2","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H33 N O3 P3 Si V -","- C15 H33 N O3 P3 Si V -","- C60 H132 N4 O12 P12 Si4 V4 -","4","1","","Trevor W. Hayton; P. James Daff; Peter Legzdins; Steven J. Rettig; Brian O. Patrick","Synthesis, Characterization, and Solution Redox Properties of (trimpsi)M(CO)2(NO) Complexes [M = V, Nb, Ta; trimpsi = tBuSi(CH2PMe2)3]","Inorganic Chemistry","2002","41","","4114","4126","10.1021/ic020041r","","","0.7107","MoKα","","0.0936","0.045","","0.1445","","0.1445","","","0.955","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318435","16.849","0.004","16.734","0.004","18.467","0.005","90","","90","","90","","5207","2","299","2","299","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C49 H28 B F24 N2 O4 Re -","- C49 H28 B F24 N2 O4 Re -","- C196 H112 B4 F96 N8 O16 Re4 -","4","1","","Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel; Scott Kassel; Arnold Rheinghold","New Synthetic Routes to Cationic Rhenium Tricarbonyl Bipyridine Complexes with Labile Ligands","Inorganic Chemistry","2002","41","","4673","4679","10.1021/ic020174c","","","0.71073","MoKα","","0.0508","0.0366","","","0.0803","0.0845","","","","","","1.029","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318436","16.82","0.004","16.663","0.004","18.351","0.005","90","","90","","90","","5143","2","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H26 B F24 N2 O4 Re -","- C48 H26 B F24 N2 O4 Re -","- C192 H104 B4 F96 N8 O16 Re4 -","4","1","","Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel; Scott Kassel; Arnold Rheinghold","New Synthetic Routes to Cationic Rhenium Tricarbonyl Bipyridine Complexes with Labile Ligands","Inorganic Chemistry","2002","41","","4673","4679","10.1021/ic020174c","","","0.71073","MoKα","","0.0487","0.0384","","","0.0884","0.0951","","","","","","1.019","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318437","17.181","0.006","15.957","0.006","20.129","0.007","90","","90","","90","","5519","3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C53 H28 B F24 N2 O4 Re -","- C53 H28 B F24 N2 O4 Re -","- C212 H112 B4 F96 N8 O16 Re4 -","4","1","","Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel; Scott Kassel; Arnold Rheinghold","New Synthetic Routes to Cationic Rhenium Tricarbonyl Bipyridine Complexes with Labile Ligands","Inorganic Chemistry","2002","41","","4673","4679","10.1021/ic020174c","","","0.71073","MoKα","","0.0525","0.04","","","0.0836","0.0898","","","","","","1.007","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318594","21.1718","0.0011","16.9093","0.0007","14.7058","0.0006","90","","90","","90","","5264.7","0.4","213","2","213","2","","","","","","","","8","P n a 21","P 2c -2n","33","compound 2b","","","- C47 H66 B Cl4 N6 O2 P Pd -","- C47 H62 B Cl4 N6 O2 P Pd -","- C188 H248 B4 Cl16 N24 O8 P4 Pd4 -","4","1","","Taichi Miyaji; Masato Kujime; Shiro Hikichi; Yoshihiko Moro-oka; Munetaka Akita","Synthesis and Characterization of a Series of (Hydroperoxo)-, (Alkylperoxo)-, and (μ-Peroxo)palladium Complexes Containing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2): (TpiPr2)(py)Pd-OO-X [X = H, t-Bu, Pd(TpiPr2)(py)] and (TpiPr2)(py)Pd-(μ-κ1:κ2-OO)-PdTpiPr2","Inorganic Chemistry","2002","41","","5286","5295","10.1021/ic020355e","","","0.7107","MoKα","","0.0853","0.0825","","","0.2199","0.2218","","","","","","1.893","","","","has coordinates","179265","2020-10-21","18:00:00",""
"4318634","13.665","0.003","9.989","0.002","8.389","0.002","90","","90","","90","","1145.1","0.4","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H12 Cu2 N5 -","- C7 H12 Cu2 N5 -","- C28 H48 Cu8 N20 -","4","1","","Enrique Colacio; Raikko Kivekäs; Francesc Lloret; Markku R. Sundberg; José Suárez-Varela; Manuel Bardají; Antonio Laguna","Architecture Dependence on the Steric Constrains of the Ligand in Cyano-Bridged Copper(I) and Copper(II)-Copper(I) Mixed-Valence Polymer Compounds Containing Diamines: Crystal Structures and Spectroscopic and Magnetic Properties","Inorganic Chemistry","2002","41","","5141","5149","10.1021/ic025743v","","","0.71073","MoKα","","0.0584","0.0439","","","0.1024","0.109","","","","","","1.027","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318724","19.1831","0.001","13.16","0.0007","14.4107","0.0007","90","","90","","90","","3638","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H34 Gd N11 O13 -","- C28 H34 Gd N11 O13 -","- C112 H136 Gd4 N44 O52 -","4","1","","Christophe Lescop; Dominique Luneau; Paul Rey; Guillaume Bussière; Christian Reber","Synthesis, Structures, and Magnetic and Optical Properties of a Series of Europium(III) and Gadolinium(III) Complexes with Chelating Nitronyl and Imino Nitroxide Free Radicals","Inorganic Chemistry","2002","41","","5566","5574","10.1021/ic0257928","","","0.71073","MoKα","","0.0382","0.0206","","0.0625","0.0528","","","","0.393","0.404","0.404","","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318725","19.2109","0.001","13.1447","0.0007","14.42","0.0007","90","","90","","90","","3641.4","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H34 Eu N11 O13 -","- C28 H34 Eu N11 O13 -","- C112 H136 Eu4 N44 O52 -","4","1","","Christophe Lescop; Dominique Luneau; Paul Rey; Guillaume Bussière; Christian Reber","Synthesis, Structures, and Magnetic and Optical Properties of a Series of Europium(III) and Gadolinium(III) Complexes with Chelating Nitronyl and Imino Nitroxide Free Radicals","Inorganic Chemistry","2002","41","","5566","5574","10.1021/ic0257928","","","0.71073","MoKα","","0.0632","0.0347","","","0.0867","0.1048","","","","","","0.696","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318764","22.058","0.002","13.3259","0.0009","12.4739","0.0008","90","","90","","90","","3666.6","0.5","173.1","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H39 Cl2 Cr N3 O13 -","- C30 H34 Cl2 Cr N3 O13 -","- C120 H136 Cl8 Cr4 N12 O52 -","4","1","","Kazushi Shiren; Koji Tanaka","Acid-Base Equilibrium of Aqua-Chromium-Dioxolene Complexes Aimed at Formation of Oxo-Chromium Complexes","Inorganic Chemistry","2002","41","","5912","5919","10.1021/ic020308m","","","0.7107","MoKα","","","0.0605","","","","0.171","","","","","","1.605","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318791","10.3145","0.0019","15.222","0.003","14.384","0.003","90","","90","","90","","2258.4","0.8","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H22 Cl4 Co N5 O4 -","- C16 H22 Cl4 Co N5 O4 -","- C64 H88 Cl16 Co4 N20 O16 -","4","1","","Kevin M. McCauley; Scott R. Wilson; Wilfred A. van der Donk","Dichloroacetylene Is Not the Precursor to Dichlorinated Vinylcobaloxime and Vinylcobalamin in Cobalt Catalyzed Dechlorination of Perchloro- and Trichloroethylene","Inorganic Chemistry","2002","41","","5844","5848","10.1021/ic025714k","","","0.71073","MoKα","","0.0525","0.043","","","0.1118","0.1162","","","","","","1.014","","","","has coordinates,has disorder","179267","2020-10-21","18:00:00",""
"4319018","21.064","0.002","18.379","0.001","10.068","0.003","90","","90","","90","","3897.7","1.2","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","PhetPhosRh","","","- C30 H64 B F4 N4 P2 Rh Si2 -","- C30 H64 B F4 N4 P2 Rh Si2 -","- C120 H256 B4 F16 N16 P8 Rh4 Si8 -","4","1","","Ingo Schranz; Graham R. Lief; Steven J. Midstokke; Lothar Stahl","Inorganic Heterocyclic Bis(phosphines): Syntheses and Structures of a 1,2-Bis(diazasilaphosphetidino)ethane and Its Nickel, Molybdenum, and Rhodium Complexes","Inorganic Chemistry","2002","41","","6919","6927","10.1021/ic020524v","","","0.71073","MoKα","","0.0481","0.0395","","","0.0999","0.1062","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319170","20.159","0.005","10.354","0.003","15.833","0.004","90","","90","","90","","3304.8","1.5","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H52 Al Li N4 O6 S2 -","- C24 H52 Al Li N4 O6 S2 -","- C96 H208 Al4 Li4 N16 O24 S8 -","4","1","","Pierre Blais; Justin K. Brask; Tristram Chivers; Gabriele Schatte","Tetraaza Analogues of Lithium and Sodium Alums: Synthesis and X-ray Structures of the Single Strand Polymer [Li(THF)2{Al[SO2(NtBu)2]2}]∞and the Contact Ion Pairs [Na(15-crown-5)][Al{SO2(NtBu)2}2] and {[Na(15-crown-5)][O2S(μ-NBn)2Al(μ-NBnSO2NBn)]}2","Inorganic Chemistry","2001","40","","384","388","10.1021/ic0006549","","","0.71073","MoKα","","0.072","0.054","","","0.1384","0.1493","","","","","","0.974","","","","has coordinates,has disorder","179271","2020-10-21","18:00:00",""
"4319336","11.9041","0.0003","13.1714","0.0004","35.6497","0.0007","90","","90","","90","","5589.6","0.2","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H20 Cl2 Cr2 N O10 Sb -","- C18 H20 Cl2 Cr2 N O10 Sb -","- C144 H160 Cl16 Cr16 N8 O80 Sb8 -","8","2","","Jiann-Jang Cherng; Yun-Wen Lai; Yi-Hung Liu; Shie-Ming Peng; Chuen-Her Ueng; Minghuey Shieh","Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and Antimony(V). Contrasting Chemical Reactivity with Organic Halogen Derivatives","Inorganic Chemistry","2001","40","","1206","1212","10.1021/ic0004277","","","0.71073","MoKα","","0.0451","0.0369","","0.1098","0.0998","","","","1.146","1.118","1.118","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00",""
"4319404","18.538","0.002","29.14","0.01","16.005","0.003","90","","90","","90","","8646","4","213","2","213","2","","","","","","","synthesis","5","P n a 21","P 2c -2n","33","","","","- C46 H38 Cl2 Co3 N12 -","- C46 H38 Cl2 Co3 N12 -","- C368 H304 Cl16 Co24 N96 -","8","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0683","0.0553","","0.1553","0.1318","","","","1.118","1.055","1.055","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319406","18.521","0.002","29.046","0.003","16.068","0.001","90","","90","","90","","8644","1.4","260","2","260","2","","","","","","","synthesis","5","P n a 21","P 2c -2n","33","","","","- C46 H38 Cl2 Co3 N12 -","- C46 H38 Cl2 Co3 N12 -","- C368 H304 Cl16 Co24 N96 -","8","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0744","0.0631","","0.1766","0.1595","","","","1.074","1.048","1.048","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319407","18.4767","0.0007","29.031","0.002","15.9276","0.0005","90","","90","","90","","8543.5","0.7","170","2","170","2","","","","","","","synthesis","5","P n a 21","P 2c -2n","33","","","","- C46 H38 Cl2 Co3 N12 -","- C46 H38 Cl2 Co3 N12 -","- C368 H304 Cl16 Co24 N96 -","8","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0425","0.0383","","0.1039","0.098","","","","1.043","1.02","1.02","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319441","19.661","0.007","12.486","0.004","10.149","0.003","90","","90","","90","","2491.5","1.4","293","","293","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H23 Cl3 N O2 P Pt -","- C23 H23 Cl3 N O2 P Pt -","- C92 H92 Cl12 N4 O8 P4 Pt4 -","4","1","","Gabriele Wagner; Tatyana B. Pakhomova; Nadezhda A. Bokach; João J. R. Fraústo da Silva; Jose Vicente; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Reduction of (imine)Pt(IV) to (imine)Pt(II) Complexes with Carbonyl-Stabilized Phosphorus Ylides","Inorganic Chemistry","2001","40","","1683","1689","10.1021/ic000769c","","","0.71069","MoKα","","","0.0379","","","0.041","","","","","2.84","2.84","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319513","16.3808","0.0003","15.1447","0.0003","13.9479","0.0003","90","","90","","90","","3460.23","0.12","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H28 Cl6 Fe P2 Re2 -","- C34 H28 Cl6 Fe P2 Re2 -","- C136 H112 Cl24 Fe4 P8 Re8 -","4","1","","N. Dastagiri Reddy; Phillip E. Fanwick; Richard A. Walton","An Intramolecular Disproportionation Reaction Leading to the Formation of the Quadruply Bonded Complex Cl4ReReCl2(dppf) (dppf = 1,1'-Bis(diphenylphosphino)ferrocene). An Example of the Missing 1,3-Re2Cl6(PR3)2 Isomer","Inorganic Chemistry","2001","40","","1732","1733","10.1021/ic0011819","","","0.71073","MO-Kα","","","0.036","","","","0.081","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319539","15.927","0.002","16.311","0.002","8.8513","0.0009","90","","90","","90","","2299.4","0.5","153.2","","296.2","","","","","","","","hydro(solvato)thermal synthesis","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Cr2 Cu N4 O7 -","- C20 H20 Cr2 Cu N4 O7 -","- C80 H80 Cr8 Cu4 N16 O28 -","4","1","","Alexander J. Norquist; Kevin R. Heier; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier","Polar Compounds Constructed with the [Cr2O7]2- Anion","Inorganic Chemistry","2001","40","","2015","2019","10.1021/ic000953y","","","0.7107","MoKα","","0.0322","0.032","","0.034","","0.034","","","2.768","","","2.77","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319540","16.503","0.001","16.005","0.001","8.813","0.0005","90","","90","","90","","2327.8","0.2","296.2","","296.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Cr2 N4 O7 Zn -","- C20 H20 Cr2 N4 O7 Zn -","- C80 H80 Cr8 N16 O28 Zn4 -","4","1","","Alexander J. Norquist; Kevin R. Heier; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier","Polar Compounds Constructed with the [Cr2O7]2- Anion","Inorganic Chemistry","2001","40","","2015","2019","10.1021/ic000953y","","","0.7107","MoKα","","0.0389","0.039","","0.032","","0.032","","","1.555","","","1.55","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319573","21.379","0.004","8.9702","0.0018","18.527","0.004","90","","90","","90","","3553","1.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","((F4-Ni)TBA)","((C4H9)4-N)(Ni(F2-PDT)2)","","- C26 H44 F4 N Ni S8 -","- C26 H44 F4 N Ni S8 -","- C104 H176 F16 N4 Ni4 S32 -","4","1","","Olivier J. Dautel; Marc Fourmigué","Stabilization of Isolated Mixed-Valence Trimers in a Novel Nickel Dithiolene Complex with CF2 Substituents","Inorganic Chemistry","2001","40","","2083","2087","10.1021/ic0013835","","","0.71073","MoKα","","0.059","0.0299","","","0.0445","0.0496","","","","","","0.706","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319603","14.0833","0.0002","11.9845","0.0002","12.6741","0.0001","90","","90","","90","","2139.15","0.05","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H32 Cl4 Co N4 Zn -","- C15 H32 Cl4 Co N4 Zn -","- C60 H128 Cl16 Co4 N16 Zn4 -","4","1","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0336","0.0305","","0.0818","0.08","","","","1.027","1.039","1.039","","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319604","14.067","0.003","11.916","0.002","12.6","0.003","90","","90","","90","","2112","0.8","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H32 Cl4 N4 Zn2 -","- C15 H32 Cl4 N4 Zn2 -","- C60 H128 Cl16 N16 Zn8 -","4","1","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0246","0.0213","","0.0462","0.0451","","","","0.979","0.995","0.995","","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319816","35.376","0.004","10.7433","0.0011","14.3949","0.0014","90","","90","","90","","5470.9","1","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H78 Cl2 Cu N10 Ni2 O14 -","- C39 H78 Cl2 Cu N10 Ni2 O14 -","- C156 H312 Cl8 Cu4 N40 Ni8 O56 -","4","1","","En-Qing Gao; Jin-Kui Tang; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Geng-Lin Wang","Oxamato-Bridged Trinuclear NiIICuIINiII Complexes with Irregular Spin State Structures and a Binuclear NiIICuII Complex with an Unusual Supramolecular Structure: Crystal Structure and Magnetic Properties","Inorganic Chemistry","2001","40","","3134","3140","10.1021/ic001023h","","","0.71073","MoKα","","0.1458","0.0623","","","0.1294","0.1591","","","","","","0.946","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4320054","15.9731","0.0003","8.7103","0.0004","7.8725","0.0007","90","","90","","90","","1095.3","0.11","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H22 B P -","- C8 H22 B P -","- C32 H88 B4 P4 -","4","1","","Hendrik Dorn; Emira Vejzovic; Alan J. Lough; Ian Manners","Rhodium-Catalyzed Dehydrocoupling of the Sterically Encumbered Phosphine-Borane Adduct tBu2PH.BH3: Synthesis of the Linear Dimers tBu2PH-BH2-tBu2P-BH3 and tBu2PH-BH2-tBu2P-BH2Cl","Inorganic Chemistry","2001","40","","4327","4331","10.1021/ic0100626","","","0.71073","MoKα","","0.0461","0.035","","","0.0769","0.0821","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320126","25.087","0.004","13.5634","0.0014","10.4377","0.0015","90","","90","","90","","3551.6","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H31 Er N4 O12 P2 -","- C33 H31 Er N4 O12 P2 -","- C132 H124 Er4 N16 O48 P8 -","4","1","","Xin-Min Gan; Eileen N. Duesler; Robert T. Paine","Synthesis and Coordination Properties of New Bis(phosphinomethyl)pyridine N,P,P'-Trioxides","Inorganic Chemistry","2001","40","","4420","4427","10.1021/ic0103493","","","0.71073","MoKα","","0.0525","0.0369","","0.0843","0.082","","","","1.058","1.226","1.226","","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320127","24.766","0.007","13.696","0.003","10.532","0.002","90","","90","","90","","3572.4","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H31 N4 Nd O12 P2 -","- C33 H31 N4 Nd O12 P2 -","- C132 H124 N16 Nd4 O48 P8 -","4","1","","Xin-Min Gan; Eileen N. Duesler; Robert T. Paine","Synthesis and Coordination Properties of New Bis(phosphinomethyl)pyridine N,P,P'-Trioxides","Inorganic Chemistry","2001","40","","4420","4427","10.1021/ic0103493","","","0.71073","MoKα","","0.0407","0.0307","","0.0638","0.0625","","","","1.003","1.108","1.108","","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320154","15.6038","0.0008","8.4742","0.0007","22.751","0.001","90","","90","","90","","3008.4","0.3","294","","294","","","","","","","","","5","P n a 21","P 2c -2n","33","L3Fe(III)Cl3","L3Fe(III)Cl3","","- C12 H13 Cl3 Fe N3 -","- C12 H13 Cl3 Fe N3 -","- C96 H104 Cl24 Fe8 N24 -","8","2","","Dominique Mandon; Agathe Nopper; Thomas Litrol; Sandrine Goetz","Tridentate Coordination of Monosubstituted Derivatives of the Tris(2-pyridylmethyl)amine Ligand to FeCl3: Structures and Spectroscopic Properties of ((2-Bromopyridyl)methyl)bis- (2-pyridylmethyl)amine FeIIICl3 and (((2-p- Methoxyphenyl)pyridyl)methyl)Bis(2-pyridyl- methyl)]amine FeIIICl3 and Comparison with the Bis(2-pyridylmethyl)]amine FeIIICl3 Complex","Inorganic Chemistry","2001","40","","4803","4806","10.1021/ic001339p","","","0.71073","Mo-Kα","","0.07","0.028","","0.085","0.033","","","","2.464","1.022","1.022","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4320198","23.177","0.005","11.056","0.002","17.263","0.004","90","","90","","90","","4423.6","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H74 Co N2 S2 -","- C42 H74 Co N2 S2 -","- C168 H296 Co4 N8 S8 -","4","1","","Hung Kay Lee; Chung Hei Lam; Song-Lin Li; Ze-Ying Zhang; Thomas C. W. Mak","Low-Valent Chemistry of Cobalt Amide. Synthesis and Structural Characterization of Cobalt(II) Amido, Aryloxide, and Thiolate Compounds","Inorganic Chemistry","2001","40","","4691","4695","10.1021/ic0102945","","","0.71073","MoKα","","0.1077","0.0876","","","0.2217","0.2372","","","","","","1.156","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320302","18.61","0.003","10.383","0.002","18.634","0.003","90","","90","","90","","3600.6","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H44 B2 Cl N12 Sm -","- C30 H44 B2 Cl N12 Sm -","- C120 H176 B8 Cl4 N48 Sm4 -","4","1","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0814","0.0456","","0.0683","0.0607","","","","0.976","1.14","1.14","","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320408","22.795","0.005","15.442","0.003","18.095","0.004","90","","90","","90","","6369","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C63 H53 Cl3 N4 P4 Re2 -","- C63 H52 Cl3 N4 P4 Re2 -","- C252 H208 Cl12 N16 P16 Re8 -","4","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MoKα","","0.143","0.0678","","0.2386","0.1806","","","","1.031","1.048","1.048","","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320411","14.0432","0.0013","8.8035","0.001","16.4069","0.0018","90","","90","","90","","2028.4","0.4","223","2","223","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H29 P -","- C24 H29 P -","- C96 H116 P4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0902","0.0521","","","0.0952","0.1051","","","","","","1.087","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320436","10.233","0.002","25.952","0.007","14.021","0.003","90","","90","","90","","3723.5","1.5","298","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H44 Cl2 F6 N4 P2 -","- C36 H44 Cl2 F6 N4 P2 -","- C144 H176 Cl8 F24 N16 P8 -","4","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.0668","","","","0.1077","","","","","","1.352","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320441","21.323","0.004","12.523","0.002","16.406","0.004","90","","90","","90","","4380.9","1.5","298","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H56 Cl N4 O5 P -","- C45 H56 Cl N4 O5 P -","- C180 H224 Cl4 N16 O20 P4 -","4","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","1.5418","CuKα","","","0.0679","","","","0.0947","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320656","17.784","0.004","7.965","0.0015","23.028","0.005","90","","90","","90","","3261.9","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H40 B2 N2 O4 -","- C35 H40 B2 N2 O4 -","- C140 H160 B8 N8 O16 -","4","1","","Mario Sánchez; Herbert Höpfl; Maria-Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima","Preparation of Seven- and Eight-Membered Boron Heterocycles from Different Salen Ligands and Arylboronic Acids","Inorganic Chemistry","2001","40","","6405","6412","10.1021/ic010580g","","","0.71073","MoKα","","0.166","0.0457","","","0.081","0.1063","","","","","","0.748","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4320914","9.478","0.003","10.919","0.003","11.914","0.005","90","","90","","90","","1233","0.7","148","2","148","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis-O-(N-boranato-N,N-dimethylhydroxylammonium)silane","","- C5 H22 B2 N2 O2 Si -","- C5 H22 B2 N2 O2 Si -","- C20 H88 B8 N8 O8 Si4 -","4","1","","Norbert W. Mitzel; Udo Losehand; Bernhard Bauer","SiONB Unit as Reference for Blocked Si...N Interactions in SiON Compounds","Inorganic Chemistry","2000","39","","1998","2000","10.1021/ic991400u","","","0.71073","MoKα","","0.0436","0.0363","","0.105","0.0982","","","","1.06","1.054","1.054","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4320983","14.748","0.005","18.037","0.007","10.341","0.004","90","","90","","90","","2750.8","1.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H23 F12 N3 P2 Ru S3 -","- C15 H23 F12 N3 P2 Ru S3 -","- C60 H92 F48 N12 P8 Ru4 S12 -","4","1","","Sue Roche; Harry Adams; Sharon E. Spey; James A. Thomas","Controlling Substitution Chemistry in Ruthenium(II) Systems. Synthesis of Heteroleptic Complexes Incorporating the [Ru([9]aneS3)]2+ Metal Center","Inorganic Chemistry","2000","39","","2385","2390","10.1021/ic991336g","","","0.71073","MoKα","","0.0564","0.0448","","0.1292","0.1186","","","","1.031","1.064","1.064","","","","","has coordinates,has disorder","179312","2020-10-21","18:00:00",""
"4320993","8.685","0.002","16.947","0.002","8.458","0.003","90","","90","","90","","1244.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Al2 K3 O12 P3 -","- Al2 K3 O12 P3 -","- Al8 K12 O48 P12 -","4","1","","R. Nandini Devi; K. Vidyasagar","Solid-State Synthesis and Characterization of Novel Aluminophosphates, A3Al2P3O12 (A = Na, K, Rb, Tl): Influence of A+ Ions on the Coordination of Aluminum","Inorganic Chemistry","2000","39","","2391","2396","10.1021/ic991395u","","","0.71069","MoKα","","0.0261","0.0233","","0.0597","0.0575","","","","1.098","1.089","1.089","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4320995","6.1478","0.0015","10.396","0.003","17.787","0.005","90","","90","","90","","1136.8","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Al2 O12 P3 Tl3 -","- Al2 O12 P3 Tl3 -","- Al8 O48 P12 Tl12 -","4","1","","R. Nandini Devi; K. Vidyasagar","Solid-State Synthesis and Characterization of Novel Aluminophosphates, A3Al2P3O12 (A = Na, K, Rb, Tl): Influence of A+ Ions on the Coordination of Aluminum","Inorganic Chemistry","2000","39","","2391","2396","10.1021/ic991395u","","","0.71073","MoKα","","0.0545","0.0275","","0.0684","0.0609","","","","1.172","1.33","1.33","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321070","16.2369","0.0009","13.6473","0.0008","10.4642","0.0005","90","","90","","90","","2318.8","0.2","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H26 Cl2 Cu O9 S4 -","- C13 H24 Cl2 Cu O9 S4 -","- C52 H96 Cl8 Cu4 O36 S16 -","4","1","","Prabodha Wijetunge; Chandrika P. Kulatilleke; Luke T. Dressel; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Effect of Conformational Constraints on Gated Electron-Transfer Kinetics. 3. Copper(II/I) Complexes with cis- and trans-Cyclopentanediyl-1,4,8,11-tetrathiacyclotetradecane1","Inorganic Chemistry","2000","39","","2897","2905","10.1021/ic0000909","","","0.71073","MoKα","","0.0627","0.0446","","0.13","0.1192","","","","0.94","1.008","1.008","","","","","has coordinates,has disorder","179313","2020-10-21","18:00:00",""
"4321118","6.8228","0.0009","8.2658","0.0011","6.5236","0.0007","90","","90","","90","","367.9","0.08","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Al Li Se2 -","- Al Li Se2 -","- Al4 Li4 Se8 -","4","1","","Joonyeong Kim; Timothy Hughbanks","Synthesis and Structures of New Ternary Aluminum Chalcogenides: LiAlSe2, α-LiAlTe2, and β-LiAlTe2","Inorganic Chemistry","2000","39","","3092","3097","10.1021/ic000210c","","","0.71073","MoKα","","0.0477","0.0307","","0.069","0.0642","","","","1.101","1.17","1.17","","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321139","15.946","0.003","15.685","0.003","30.523","0.005","90","","90","","90","","7634","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37.5 H52 Fe N11 O2 -","- C37.5 H52 Fe N11 O2 -","- C300 H416 Fe8 N88 O16 -","8","2","","Sujit K. Dutta; Udo Beckmann; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","1,2-Bis(pyridine-2-carboxamido)benzenate(2-), (bpb)2-: A Noninnocent Ligand. Syntheses, Structures, and Mechanisms of Formation of [(n-Bu)4N][FeIV2(μ-N)(bpb)2(X)2] (X = CN-, N3-) and the Electronic Structures of [MIII(bpbox1)(CN)2] (M = Co, Fe)","Inorganic Chemistry","2000","39","","3355","3364","10.1021/ic0001107","","","0.71073","MoKα","","0.0801","0.0526","","0.1295","0.1161","","","","1.012","1.057","1.057","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4321204","12.716","0.003","12.726","0.003","14.638","0.003","90","","90","","90","","2368.8","0.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H7 Ag B9 Br9 -","- C7 H7 Ag B9 Br9 -","- C28 H28 Ag4 B36 Br36 -","4","1","","Chi-Wing Tsang; Qingchuan Yang; Eric Tung-Po Sze; Thomas C. W. Mak; Dominic T. W. Chan; Zuowei Xie","Synthesis and Structural Characterization of Highly Chlorinated, Brominated, Iodinated, and Methylated Carborane Anions, 1-H-CB9X9-, 1-NH2-CB9X9- (X = Cl, Br, I), and 1-H-CB9(CH3)9-","Inorganic Chemistry","2000","39","","3582","3589","10.1021/ic000137q","","","0.71073","MoKα","","0.0708","0.0578","","","0.1204","0.1264","","","","","","1.11","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321274","19.5002","0.0012","13.0582","0.0008","14.5741","0.0009","90","","90","","90","","3711.1","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H34 La N11 O13 -","- C28 H34 La N11 O13 -","- C112 H136 La4 N44 O52 -","4","1","","Christophe Lescop; Dominique Luneau; Guillaume Bussière; Myriam Triest; Christian Reber","Ligand-Centered Near-Infrared Luminescence from Lanthanide Complexes with Chelating Nitronyl Nitroxide Free Radicals","Inorganic Chemistry","2000","39","","3740","3741","10.1021/ic0004941","","","0.71073","MoKα","","0.0868","0.0331","","0.1146","0.077","","","","0.629","0.558","0.558","","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321275","19.1831","0.001","13.16","0.0007","14.4107","0.0007","90","","90","","90","","3638","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H34 Gd N11 O13 -","- C28 H34 Gd N11 O13 -","- C112 H136 Gd4 N44 O52 -","4","1","","Christophe Lescop; Dominique Luneau; Guillaume Bussière; Myriam Triest; Christian Reber","Ligand-Centered Near-Infrared Luminescence from Lanthanide Complexes with Chelating Nitronyl Nitroxide Free Radicals","Inorganic Chemistry","2000","39","","3740","3741","10.1021/ic0004941","","","0.71073","MoKα","","0.0382","0.0206","","0.0625","0.0528","","","","0.393","0.404","0.404","","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321276","19.2109","0.001","13.1447","0.0007","14.42","0.0007","90","","90","","90","","3641.4","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H34 Eu N11 O13 -","- C28 H34 Eu N11 O13 -","- C112 H136 Eu4 N44 O52 -","4","1","","Christophe Lescop; Dominique Luneau; Guillaume Bussière; Myriam Triest; Christian Reber","Ligand-Centered Near-Infrared Luminescence from Lanthanide Complexes with Chelating Nitronyl Nitroxide Free Radicals","Inorganic Chemistry","2000","39","","3740","3741","10.1021/ic0004941","","","0.71073","MoKα","","0.0632","0.0347","","","0.0867","0.1048","","","","","","0.696","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321409","17.4956","0.0011","12.1741","0.0008","19.2434","0.0012","90","","90","","90","","4098.7","0.5","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetra(n-butyl)ammonium bromo(cyano)cuprate(I)","","- C34 H72 Br2 Cu2 N4 -","- C34 H72 Br2 Cu2 N4 -","- C136 H288 Br8 Cu8 N16 -","4","1","","Graham A. Bowmaker; Hans Hartl; Victoria Urban","Crystal Structures and Vibrational Spectroscopy of [NBu4][Cu(CN)X] (X = Br, I) and [NBu4][Cu3(CN)4].CH3CN","Inorganic Chemistry","2000","39","","4548","4554","10.1021/ic000399s","","","0.71073","MoKα","","0.0703","0.0406","","","0.0813","0.0879","","","","","","0.922","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321578","32.0538","0.0004","16.0822","0.0003","18.9388","0.0003","90","","90","","90","","9762.9","0.3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C97 H82 Au2 F12 P8 Pt2 S2 -","- C97 H82 Au2 F12 P8 Pt2 S2 -","- C388 H328 Au8 F48 P32 Pt8 S8 -","4","1","","Zhaohui Li; Zhi-Heng Loh; K. F. Mok; T. S. Andy Hor","Structural, Dynamic, and Theoretical Studies of [AunPt2(PPh3)4(μ-S)2-n(μ3-S)nL][PF6] [n = 1, L = PPh3; n = 2, L = Ph2PCH2PPh2, (C5H4PPh2)2Fe]","Inorganic Chemistry","2000","39","","5299","5305","10.1021/ic991416k","","","0.71073","MoKα","","0.0493","0.0347","","0.0974","0.0843","","","","1.036","1.051","1.051","","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321579","31.95","0.002","16.0157","0.0008","18.846","0.0009","90","","90","","90","","9643.5","0.9","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C97 H82 Au2 F12 P8 Pt2 S2 -","- C97 H82 Au2 F12 P8 Pt2 S2 -","- C388 H328 Au8 F48 P32 Pt8 S8 -","4","1","","Zhaohui Li; Zhi-Heng Loh; K. F. Mok; T. S. Andy Hor","Structural, Dynamic, and Theoretical Studies of [AunPt2(PPh3)4(μ-S)2-n(μ3-S)nL][PF6] [n = 1, L = PPh3; n = 2, L = Ph2PCH2PPh2, (C5H4PPh2)2Fe]","Inorganic Chemistry","2000","39","","5299","5305","10.1021/ic991416k","","","0.71073","MoKα","","0.0763","0.0478","","0.1403","0.1196","","","","1.033","1.06","1.06","","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321589","22.945","0.001","15.283","0.0007","12.6787","0.0006","90","","90","","90","","4446","0.4","203","2","203","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H70 N3 Na O4 Si6 U -","- C26 H70 N3 Na O4 Si6 U -","- C104 H280 N12 Na4 O16 Si24 U4 -","4","1","","Carol J. Burns; David L. Clark; Robert J. Donohoe; Paul B. Duval; Brian L. Scott; C. Drew Tait","A trigonal Bipyramidal Uranyl Amido Complex: Synthesis and Structural Characterization of [Na(THF)~2~][UO~2~(N(SiMe~3~)~2~)~3~]","Inorganic Chemistry","2000","39","","5464","5468","10.1021/ic0003168","","","0.71073","MoKα","","0.0524","0.0309","","","0.0524","0.0573","","","","","","0.939","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321642","19.736","0.016","11.319","0.004","13.804","0.005","90","","90","","90","","3084","3","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C5 H9 B11 Br5 Cs I6 O -","- C5 H9 B11 Br5 Cs I6 O -","- C20 H36 B44 Br20 Cs4 I24 O4 -","4","1","","Chi-Wing Tsang; Qingchuan Yang; Eric Tung-Po Sze; Thomas C. W. Mak; Dominic T. W. Chan; Zuowei Xie","Weakly Coordinating Nature of a Carborane Cage Bearing Different Halogen Atoms. Synthesis and Structural Characterization of Icosahedral Mixed Halocarborane Anions, 1-H-CB11Y5X6- (X, Y = Cl, Br, I)","Inorganic Chemistry","2000","39","","5851","5858","10.1021/ic000354r","","","0.71073","MoKα","","0.0614","0.0389","","","0.0859","0.0941","","","","","","1.023","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4321653","11.311","0.002","19.135","0.002","15.443","0.002","90","","90","","90","","3342.4","0.8","293","2","293","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C22 H39 B Cl3 N8 O2 P2 Re Si -","- C22 H39 B Cl3 N8 O2 P2 Re Si -","- C88 H156 B4 Cl12 N32 O8 P8 Re4 Si4 -","4","1","","António Paulo; Ângela Domingos; Raquel Garcia; Isabel Santos","Cationic Re(V) Oxo Complexes with Poly(pyrazolyl)borates: Synthesis, Characterization, and Stability","Inorganic Chemistry","2000","39","","5669","5674","10.1021/ic000481n","","","0.71069","MoKα","","0.0645","0.046","","0.1242","0.1022","","","","1.103","1.047","1.047","","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4321887","38.2725","0.0019","9.2841","0.0005","15.0099","0.0007","90","","90","","90","","5333.4","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C62 H54 N2 P4 Pt2 -","- C62 H54 N2 P4 Pt2 -","- C248 H216 N8 P16 Pt8 -","4","1","","Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp","Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1","Inorganic Chemistry","1999","38","","1563","1572","10.1021/ic981246w","","","0.7107","MoKα","","0.0662","0.0535","","","0.1128","0.1196","","","","","","1.171","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4322045","15.239","0.003","15.852","0.003","11.79","0.002","90","","90","","90","","2848.1","0.9","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 Cl6 Cr4 O5 -","- C8 H9 Cl3 Cr2 O2.5 -","- C64 H72 Cl24 Cr16 O20 -","8","2","","F. Albert Cotton; Carlos A. Murillo; Isabel Pascual","First Cr(II) Complex with a Tetrahedral M4(μ4-O) Core: [M4(μ4-O)(μ-Cl)6(THF)4]","Inorganic Chemistry","1999","38","","2746","2749","10.1021/ic9814468","","","0.71073","MoKα","","0.0403","0.0393","","0.1059","0.103","","","","0.989","0.981","0.981","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322049","18.6778","0.0005","5.1046","0.0002","16.6257","0.0002","90","","90","","90","","1585.14","0.08","115","2","115","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H10 Cl3 Cu3 N4 -","- C14 H10 Cl3 Cu3 N4 -","- C56 H40 Cl12 Cu12 N16 -","4","1","","Douglas J. Chesnut; Anakarin Kusnetzow; Robert R. Birge; Jon Zubieta","Solid State Coordination Chemistry of the Copper Halide- and Pseudo-Halide-Organoamine System, Cu-X-[(bis-2,3-(2-pyridyl)pyrazine)] (X = Cl, Br, CN): Hydrothermal Synthesis and Structural Characterization","Inorganic Chemistry","1999","38","","2663","2671","10.1021/ic990132x","","","0.71073","MoKα","","0.0942","0.0684","","0.1271","0.1158","","","","1.159","1.191","1.191","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322448","22.196","0.0004","22.551","0.0004","11.394","0.0001","90","","90","","90","","5703.18","0.15","200.2","","200.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C57 H60 Cl4 P6 Pd2 -","- C57 H60 Cl4 P6 Pd2 -","- C228 H240 Cl16 P24 Pd8 -","4","1","","Tsutomu Mizuta; Shizuka Aoki; Koji Nakayama; Katsuhiko Miyoshi","A Sterically Enforced Bent Form of an Edge-Sharing Dipalladium(II) Complex Attained by a Linked-Bisphosphido Bridge","Inorganic Chemistry","1999","38","","4361","4364","10.1021/ic990032r","","","0.7107","MoKα","","","0.0343","","","0.0392","","","","","3.964","3.964","","","","","has coordinates,has disorder","200883","2020-10-21","18:00:00",""
"4322655","6.5055","0.0012","17.153","0.004","10.8222","0.0013","90","","90","","90","","1207.6","0.4","233","0.2","233","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","Dicarbonyl-(N-methyl-N-phenyl-dithiocarbamato-S,S')-rhodium(i)","","- C10 H8 N O2 Rh S2 -","- C10 H8 N O2 Rh S2 -","- C40 H32 N4 O8 Rh4 S8 -","4","1","","Anabel Elduque; Cristina Finestra; José A. López; Fernando J. Lahoz; Francisco Merchán; Luis A. Oro; M. Teresa Pinillos","Rhodium Dithiocarbamate Compounds as Metalloligands: A Controlled Way for the Construction of Binuclear Complexes","Inorganic Chemistry","1998","37","","824","829","10.1021/ic971053t","","","0.71073","MoKα","","0.0377","0.0241","","","0.0479","0.0532","","","","","","1.035","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4322713","12.8388","0.0005","7.6455","0.0003","6.1264","0.0003","90","","90","","90","","601.36","0.04","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","beta-CuAlCl4","","- Al Cl4 Cu -","- Al Cl4 Cu -","- Al4 Cl16 Cu4 -","4","1","","James D. Martin; Brian R. Leafblad; Roger M. Sullivan; Paul D. Boyle","α- and β-CuAlCl4: Framework Construction Using Corner-Shared Tetrahedral Metal-Halide Building Blocks","Inorganic Chemistry","1998","37","","1341","1346","10.1021/ic971148v","","","0.71073","MolybdenumKα","","0.029","0.029","","0.038","0.038","","","","","1.38","1.38","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322831","16.193","0.008","12.878","0.005","16.62","0.005","90","","90","","90","","3466","2","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H38 B Mo N7 O S4 -","- C31 H38 B Mo N7 O S4 -","- C124 H152 B4 Mo4 N28 O4 S16 -","4","1","","Helen A. Hinton; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Ferida S. McQuillan; Malcolm S. Tolley","Mono-, Bi-, and Trinuclear Metallocyclophanes Formed in Reactions between [Mo(NO){HB(3,5-Me2C3HN2)3}I2] and Xylenedithiols. The X-ray Crystal Structures of [Mo(NO){HB(3,5-Me2C3HN2)3}{1,4-(SCH2)2C6H4}n] (n= 2, 3)","Inorganic Chemistry","1998","37","","2933","2942","10.1021/ic971357f","","","0.71069","MoKa","","0.1133","0.0646","","0.1561","0.1286","","","","0.995","0.972","0.972","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4322928","14.271","0.006","13.832","0.008","12.065","0.009","90","","90","","90","","2382","2","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H26 N2 Pd Se2 -","- C28 H34 N2 Pd Se2 -","- C112 H136 N8 Pd4 Se8 -","4","1","","Allan J. Canty; Hong Jin; Brian W. Skelton; Allan H. White","Oxidation of Complexes by (O2CPh)2 and (ER)2 (E = S, Se), Including Structures of Pd(CH2CH2CH2CH2)(SePh)2(bpy) (bpy = 2,2'-Bipyridine) and MMe2(SePh)2(L2) (M = Pd, Pt; L2= bpy, 1,10-Phenanthroline) and C...O and C...E Bond Formation at Palladium(IV)","Inorganic Chemistry","1998","37","","3975","3981","10.1021/ic9715005","","","","xray_tube","","0.045","0.035","","0.044","0.041","","","","1.084","1.113","1.113","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4322931","17.8221","0.0007","9.3525","0.001","13.304","0.0004","90","","90","","90","","2217.5","0.3","180.2","","180.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H30 Cl Ni O6 P3 -","- C14 H30 Cl Ni O6 P3 -","- C56 H120 Cl4 Ni4 O24 P12 -","4","1","","Richard Faw; Craig D. Montgomery; Steven J. Rettig; Bryn Shurmer","Synthesis and Crystal Structure of the Nickel(II) Phosphoranide Complex trans-(PMe~3~)~2~[(C~4~H~6~O~3~)~2~P-P]NiCl","Inorganic Chemistry","1998","37","","4136","4138","10.1021/ic980193f","","","0.7107","MoKα","","0.06","0.0314","","0.0717","","","","","1.365","","","1.365","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323070","21.688","0.004","27.748","0.004","8.623","0.002","90","","90","","90","","5189.3","1.7","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H20 Ag I6 S5 -","- C10 H20 Ag I6 S5 -","- C80 H160 Ag8 I48 S40 -","8","2","","Alexander J. Blake; Robert O. Gould; Wan-Sheung Li; Vito Lippolis; Simon Parsons; Christian Radek; Martin Schröder","Silver-Thioether Crown Complexes as Templates for the Synthesis of Extended Polyiodide Networks: Synthesis and X-ray Crystal Structures of [Ag2([15]aneS5)2]I12, [Ag([18]aneS6)]I7, [Ag([18]aneS6)]I3, and [Ag([9]aneS3)2]I5","Inorganic Chemistry","1998","37","","5070","5077","10.1021/ic980413p","","","0.71073","MoKα","","0.0601","0.0517","","0.1444","0.1324","","","","1.074","1.057","1.057","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323152","11.947","0.002","11.818","0.002","11.227","0.005","90","","90","","90","","1585.1","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Azido-N,N'-bis(salicylidene-1,3-diaminopropanato)manganese(III)","","- C17 H16 Mn N5 O2 -","- C17 H16 Mn N5 O2 -","- C68 H64 Mn4 N20 O8 -","4","1","","K. Rajender Reddy; M. V. Rajasekharan; J.-P. Tuchagues","Synthesis, Structure, and Magnetic Properties of Mn(salpn)N3, a Helical Polymer, and Fe(salpn)N3, a Ferromagnetically Coupled Dimer (salpnH2 = N,N'-bis(Salicylidene)-1,3-diaminopropane)","Inorganic Chemistry","1998","37","","5978","5982","10.1021/ic971592y","","","0.71073","MoKα","","0.0344","0.026","","0.0686","0.0617","","","","1.093","1.055","1.055","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323203","14.053","0.001","10.895","0.001","17.931","0.001","90","","90","","90","","2745.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H14 Ag B11 Br10 -","- C10 H14 Ag B11 Br10 -","- C40 H56 Ag4 B44 Br40 -","4","1","","Zuowei Xie; Chi-Wing Tsang; Eric Tung-Po Sze; Qingchuan Yang; Dominic T. W. Chan; Thomas C. W. Mak","Highly Chlorinated, Brominated, and Iodinated Icosahedral Carborane Anions: 1-H-CB11X11-, 1-CH3-CB11X11- (X = Cl, Br, I); 1-Br-CB11Br11-","Inorganic Chemistry","1998","37","","6444","6451","10.1021/ic9805628","","","0.71073","MoKα","","0.141","0.1233","","0.3403","0.2956","","","","1.075","1.123","1.123","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323250","23.0811","0.0015","14.3046","0.0009","11.6892","0.0008","90","","90","","90","","3859.4","0.4","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C40 H37 O3 P S2 Si Ti W -","- C40 H37 O3 P S2 Si Ti W -","- C160 H148 O12 P4 S8 Si4 Ti4 W4 -","4","1","","Esther Delgado; M. Angeles García; Enrique Gutierrez-Puebla; Elisa Hernández; Noelia Mansilla; Félix Zamora","Tridentate Coordination Modes of Functionalized Titanocene Thiolates. Crystal Structure of [(η5-C5H4SiMe3)Ti(μ-η5:κ-P-C5H4PPh2)(μ-SPh)2W(CO)3]","Inorganic Chemistry","1998","37","","6684","6689","10.1021/ic9804972","","","0.71073","MoKα","","0.0483","0.0462","","0.1237","0.1214","","","","1.04","1.058","1.058","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323254","7.467","0.004","14.048","0.004","23.4","0.005","90","","90","","90","","2454.6","1.6","296.2","","296.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26.5 H27.5 Fe2 N3.5 O3 -","- C26.5 H27.5 Fe2 N3.5 O3 -","- C106 H110 Fe8 N14 O12 -","4","1","","Taka-aki Okamura; Keiko Sakauye; Norikazu Ueyama; Akira Nakamura","An Amide-Linked Ferrocene Dimer, [(CH3CONHC5H4)Fe(C5H4CONHC5H4)Fe(C5H4CONHCH3)]. Formation of Inter- and Intramolecular NH. . .OC Hydrogen Bonds","Inorganic Chemistry","1998","37","","6731","6736","10.1021/ic9806939","","","0.7107","MoKα","","0.0681","0.0681","","","0.1066","0.1066","","","","","","1.375","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323259","13.498","0.003","18.056","0.005","19.805","0.004","90","","90","","90","","4827","2","208","2","208","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H72 Mo2 P4 -","- C36 H72 Mo1.98 P4 -","- C144 H288 Mo7.92 P16 -","4","1","","Kevin D. John; Vincent M. Miskowski; Michael A. Vance; Richard F. Dallinger; Louis C. Wang; Steven J. Geib; Michael D. Hopkins","Molecular Structures, Vibrational Spectroscopy, and Normal-Mode Analysis of M2(C\τbCR)4(PMe3)4 Dimetallatetraynes. Observation of Strongly Mixed Metal-Metal and Metal-Ligand Vibrational Modes","Inorganic Chemistry","1998","37","","6858","6873","10.1021/ic980866u","","","0.71073","MoKα","","0.1107","0.0754","","","0.1756","0.1981","","","","","","0.967","","","","has coordinates,has disorder","179335","2020-10-21","18:00:00",""
"4323342","18.806","0.005","5.628","0.007","23.665","0.005","90","0","90","0","90","0","2505","3","295","","295","","","","","","","","chemical synthesis","5","P n a 21","P 2c -2n","33","","","","- C18 H28 N4 Ni S6 -","- C18 H28 N4 Ni S6 -","- C72 H112 N16 Ni4 S24 -","4","1","","Francesco Bigoli; Paola Deplano; Francesco A. Devillanova; John. R. Ferraro; Vito Lippolis; Peter J. Lukes; Maria Laura Mercuri; Maria Angela Pellinghelli; Emanuele F. Trogu; Jack M. Williams","Syntheses, X-ray Crystal Structures, and Spectroscopic Properties of New Nickel Dithiolenes and Related Compounds","Inorganic Chemistry","1997","36","","1218","1226","10.1021/ic960930c","","","1.54184","Cu_Kα","","","0.0463","","","0.0621","","","","","1.0744","1.0744","","","","","has coordinates","284577","2023-06-29","09:30:39",""
"4323365","36.881","0.006","9.402","0.002","17.652","0.002","90","","90","","90","","6120.9","1.8","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H44 N2 Ru S4 -","- C28 H44 N2 Ru S4 -","- C224 H352 N16 Ru8 S32 -","8","2","","Dieter Sellmann; Michael W. Wemple; Wolfgang Donaubauer; Frank W. Heinemann","Synthesis, Structure, and Reactivity of Ruthenium and Osmium Nitrido Complexes with 1,2-Benzenedithiolate Ligands: N- versus S-Alkylation","Inorganic Chemistry","1997","36","","1397","1402","10.1021/ic961240b","","","0.71073","MoKα","","0.0453","0.0252","","0.042","0.0399","","","","0.635","0.771","0.771","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323366","37.042","0.004","9.375","0.002","17.671","0.002","90","","90","","90","","6136.6","1.6","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H44 N2 Os S4 -","- C28 H44 N2 Os S4 -","- C224 H352 N16 Os8 S32 -","8","2","","Dieter Sellmann; Michael W. Wemple; Wolfgang Donaubauer; Frank W. Heinemann","Synthesis, Structure, and Reactivity of Ruthenium and Osmium Nitrido Complexes with 1,2-Benzenedithiolate Ligands: N- versus S-Alkylation","Inorganic Chemistry","1997","36","","1397","1402","10.1021/ic961240b","","","0.71073","MoKα","","0.0733","0.0386","","0.0803","0.0734","","","","0.776","0.954","0.954","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323415","18.287","0.002","15.157","0.001","18.541","0.003","90","","90","","90","","5139.1","1.1","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H22 N O2 P -","- C11 H22 N O2 P -","- C176 H352 N16 O32 P16 -","16","4","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; K. C. Kumara Swamy","Cyclic Aminophosphites and -phosphoranes Possessing Six- and Higher-Membered Rings: A Comparative Study of Structure and Reactivity","Inorganic Chemistry","1997","36","","2044","2051","10.1021/ic9611958","","","0.71073","MoKa","","0.0994","0.0584","","0.121","0.1033","","","","1.021","1.071","1.071","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323422","18.638","0.004","9.707","0.002","11.169","0.003","90","","90","","90","","2020.7","0.8","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Mo2 O8 Se -","- C16 H10 Mo2 O8 Se -","- C64 H40 Mo8 O32 Se4 -","4","1","","Peter G. Jones; Jörg Laube; Carsten Thöne","Organometallic Selenolates. 5.1 Synthesis and Complexing Properties of 2-Propene- and 2-Methyl-2-propeneselenolato Molybdenum and Tungsten Compounds. Crystal Structures of cp(CO)3WSeCH2C(CH3)CH2, [cp(CO)2MoSeCH2C(CH3)CH2]2, [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)W(CO)5], [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)Mo(CO)5], and [cp(CO)3Mo(μ-SeCH2CHCH2)Mo(CO)5]","Inorganic Chemistry","1997","36","","2097","2102","10.1021/ic961199c","","","0.71073","MoKα","","0.041","0.036","","0.0915","0.0864","","","","1.078","1.052","1.052","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323505","17.383","0.004","13.967","0.003","12.002","0.002","90","","90","","90","","2913.9","1","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H30 Cl2 N6 P2 Re -","- C26 H30 Cl2 N6 P2 Re -","- C104 H120 Cl8 N24 P8 Re4 -","4","1","","Melissa Hirsch-Kuchma; Terrence Nicholson; Alan Davison; William M. Davis; Alun G. Jones","Synthesis and Characterization of Rhenium(III) and Technetium(III) Organohydrazide Chelate Complexes. Reactions of 2-Hydrazinopyridine with Complexes of Rhenium and Technetium","Inorganic Chemistry","1997","36","","3237","3241","10.1021/ic961489t","","","0.71073","MoKα","","0.0384","0.0281","","0.084","0.0673","","","","1.227","1.044","1.044","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323519","13.622","0.003","13.029","0.003","10.354","0.002","90","","90","","90","","1837.6","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H24 Cr N2 O6 -","- C14 H24 Cr N2 O6 -","- C56 H96 Cr4 N8 O24 -","4","1","","Donald J. Darensbourg; Jennifer D. Draper; Joseph H. Reibenspies","Amino Acid Complexes of Metal Carbonyls: Mechanistic Aspects of the CO-Labilizing Ability of Glycinate Ligands in Zero-Valent Chromium and Tungsten Derivatives","Inorganic Chemistry","1997","36","","3648","3656","10.1021/ic961344m","","","0.71073","MoKα","","0.1376","0.0745","","0.271","0.1943","","","","1.042","1.115","1.115","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323528","13.462","0.005","6.91","0.003","10.526","0.003","90","","90","","90","","979.2","0.6","293","2","293","2","","","","","","","HCl/HNO3","5","P n a 21","P 2c -2n","33","","Dioxonium pentachloronitrosylruthenate(II)","","- Cl5 H6 N O3 Ru -","- Cl5 N O3 Ru -","- Cl20 N4 O12 Ru4 -","4","1","","Pertti Homanen; Matti Haukka; Markku Ahlgrén; Tapani A. Pakkanen","Formation of Ruthenium Nitrosyl Complexes: Reactions of Ru(bpy)(CO)2Cl2 and Its Methyl-Substituted Analogues Ru(4,4'-dmbpy)(CO)2Cl2 and Ru(6,6'-dmbpy)(CO)2Cl2 in Oxidizing Acidic Solutions","Inorganic Chemistry","1997","36","","3794","3797","10.1021/ic970007q","","","0.71073","MoKα","","0.058","0.0427","","0.1039","0.0976","","","","0.935","1.016","1.016","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323542","19.153","0.004","17.372","0.005","10.461","0.008","90","","90","","90","","3481","3","297","","297","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H45 Cl3 Nb O2 P -","- C32 H45 Cl3 Nb O2 P -","- C128 H180 Cl12 Nb4 O8 P4 -","4","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.23","0.062","","0","0.114","","","","0","1.075","1.075","","","","","has coordinates","189827","2020-10-21","18:00:00",""
"4323632","18.824","0.005","13.604","0.002","9.657","0.002","90","","90","","90","","2473","0.9","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","strontium hydrogenundecaphosphide-ammonia(1/9)","","- H28 N9 P11 Sr -","- H28 N9 P11 Sr -","- H112 N36 P44 Sr4 -","4","1","","Nikolaus Korber; Jörg Daniels","A Hydrogen Polyphosphide Salt of the First Homoleptic Strontium Ammine Complex: Synthesis and Structure Analysis of [Sr(NH~3~)~8~]HP~11~.NH~3~","Inorganic Chemistry","1997","36","","4906","4908","10.1021/ic970664i","","","0.71073","MoKα","","0.0719","0.052","","0.1503","0.1293","","","","1.077","1.058","1.058","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323688","20.723","0.006","10.274","0.004","16.871","0.004","90","","90","","90","","3592","1.9","200","2","200","","","","","","","","","5","P n a 21","P 2c -2n","33","compound 11","","","- C41 H39 Cl Co P3 -","- C41 H39 Cl Co P3 -","- C164 H156 Cl4 Co4 P12 -","4","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.0645","0.0483","","0.1369","0.1284","","","","1.19","1.24","1.24","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323848","26.5238","0.0015","16.2318","0.0015","12.421","0.004","90","","90","","90","","5347.6","1.8","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H59 Br5 Cl2 Cu8 N6 S3 -","- C37 H59 Br5 Cl2 Cu8 N6 S3 -","- C148 H236 Br20 Cl8 Cu32 N24 S12 -","4","1","","Maurits D. Janssen; Anthony L. Spek; David M. Grove; Gerard van Koten","A Mixed (Arenethiolato)copper(I)/Copper Bromide Aggregate: X-ray Structure of Octanuclear [Cu8{SC6H3(CH2NMe2)2-2,6}3Br5]","Inorganic Chemistry","1996","35","","4078","4081","10.1021/ic9515315","","","0.71073","MoKa","","0.0961","0.0557","","0.1281","0.1108","","","","1.008","1.077","1.077","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323890","20.104","0.002","7.0278","0.0005","30.648","0.003","90","","90","","90","","4330.2","0.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H35 B9 Mo N2 O3 -","- C10 H24 B9 Mo N2 O3 -","- C80 H192 B72 Mo8 N16 O24 -","8","2","","Jae-Hak Kim; Eunkee Hong; Jinkwon Kim; Youngkyu Do","Oxidation of Tricarbonylmolybdacarborane. 1. First Examples of Oxomolybda(VI)carboranes","Inorganic Chemistry","1996","35","","5112","5113","10.1021/ic960223j","","","0.71073","MoKα","","0.1692","0.0881","","0.215","0.1858","","","","1.131","1.427","1.427","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4324254","16.972","0.004","14.247","0.004","15.643","0.003","90","","90","","90","","3782.5","1.6","123.15","","123.15","","","","","","","","","5","P n a 21","P 2c -2n","33","CuTMeOPP","CuTMeOPP","","- C48 H36 Cu N4 O4 -","- C48 H36 Cu N4 O4 -","- C192 H144 Cu4 N16 O16 -","4","1","","Wentong Chen; Mohamed E. El-Khouly; Shunichi Fukuzumi","Saddle Distortion of a Sterically Unhindered Porphyrin Ring in a Copper Porphyrin with Electron-Donating Substituents","Inorganic Chemistry","2011","50","","671","678","10.1021/ic102208y","","","0.71073","MoKα","","0.0956","0.0673","","","0.1455","0.162","","","","","","1.007","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324292","9.9589","0.0007","11.7983","0.0007","8.6065","0.0005","90","","90","","90","","1011.25","0.11","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","Diniobium(V)-dioxide-tris(sulfate)","","","- Nb2 O14 S3 -","- Nb2 O14 S3 -","- Nb8 O56 S12 -","4","1","","Ulf Betke; Mathias S. Wickleder","Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2","Inorganic Chemistry","2011","50","","858","872","10.1021/ic101455z","","x-ray","0.71073","MoKα","","0.0243","0.0206","","","0.0467","0.0475","","","","","","0.978","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324309","22.278","0.003","13.1202","0.0016","4.6379","0.0006","90","","90","","90","","1355.6","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C48 H52 N12 O24 -","4","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71073","MoKα","","0.142","0.0544","","","0.1092","0.1408","","","","","","0.988","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324310","22.4633","0.0005","13.0385","0.0013","4.699","0.002","90","","90","","90","","1376.3","0.6","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C48 H52 N12 O24 -","4","1","","Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; Paweł J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro","Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols","Inorganic Chemistry","2011","50","","918","931","10.1021/ic101516k","","","0.71073","MoKα","","0.1919","0.0592","","","0.1122","0.1522","","","","","","0.944","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324346","13.4823","0.0005","15.541","0.0007","7.7907","0.0003","90","","90","","90","","1632.37","0.11","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H15 F N4 O3 Tc -","- C16 N4 O3 Tc -","- C64 N16 O12 Tc4 -","4","1","","Khajadpai Thipyapong; Tomoya Uehara; Yuji Tooyama; Henrik Braband; Roger Alberto; Yasushi Arano","Insight into Technetium Amidoxime Complex: Oxo Technetium(V) Complex of N-Substituted Benzamidoxime as New Basic Structure for Molecular Imaging","Inorganic Chemistry","2011","50","","992","998","10.1021/ic101714q","","","0.71073","MoKα","","0.0992","0.0694","","","0.1667","0.1764","","","","","","0.968","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324421","14.3202","0.001","26.7358","0.0018","14.9334","0.001","90","","90","","90","","5717.4","0.7","186","2","186","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H63 Cl Dy2 N6 Ni2 O25 S2 -","- C44 H60 Cl Dy2 N6 Ni2 O25 S2 -","- C176 H240 Cl4 Dy8 N24 Ni8 O100 S8 -","4","1","","Yajie Gao; Lang Zhao; Xuebin Xu; Gong-Feng Xu; Yun-Nan Guo; Jinkui Tang; Zhiliang Liu","Heterometallic Cubanes: Syntheses, Structures, and Magnetic Properties of Lanthanide(III)-Nickel(II) Architectures","Inorganic Chemistry","2011","50","","1304","1308","10.1021/ic101849h","","","0.71073","MoKα","","0.0368","0.0331","","","0.0817","0.0834","","","","","","1.046","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324422","14.38","0.0006","26.6616","0.0011","14.9053","0.0006","90","","90","","90","","5714.6","0.4","186","2","186","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H63 Cl N6 Ni2 O25 S2 Tb2 -","- C44 H63 Cl N6 Ni2 O25 S2 Tb2 -","- C176 H252 Cl4 N24 Ni8 O100 S8 Tb8 -","4","1","","Yajie Gao; Lang Zhao; Xuebin Xu; Gong-Feng Xu; Yun-Nan Guo; Jinkui Tang; Zhiliang Liu","Heterometallic Cubanes: Syntheses, Structures, and Magnetic Properties of Lanthanide(III)-Nickel(II) Architectures","Inorganic Chemistry","2011","50","","1304","1308","10.1021/ic101849h","","","0.71073","MoKα","","0.0434","0.034","","","0.0725","0.0868","","","","","","1.073","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324423","14.3637","0.0008","26.6503","0.0015","14.9105","0.0008","90","","90","","90","","5707.7","0.5","191","2","191","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H63 Cl Gd2 N6 Ni2 O25 S2 -","- C44 H62 Cl Gd2 N6 Ni2 O25 S2 -","- C176 H248 Cl4 Gd8 N24 Ni8 O100 S8 -","4","1","","Yajie Gao; Lang Zhao; Xuebin Xu; Gong-Feng Xu; Yun-Nan Guo; Jinkui Tang; Zhiliang Liu","Heterometallic Cubanes: Syntheses, Structures, and Magnetic Properties of Lanthanide(III)-Nickel(II) Architectures","Inorganic Chemistry","2011","50","","1304","1308","10.1021/ic101849h","","","0.71073","MoKα","","0.0353","0.0302","","","0.0696","0.0781","","","","","","1.04","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324500","21.705","0.004","6.2555","0.0013","29.712","0.006","90","","90","","90","","4034.2","1.4","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H36 Cr2 N4 O12 Zn -","- C38 H36 Cr2 N4 O12 Zn -","- C152 H144 Cr8 N16 O48 Zn4 -","4","1","","Balasubramanian Murugesapandian; Peter W. Roesky","Coordination Polymers of Zinc with (η6-Benzenecarboxylate) Chromium Tricarbonyl","Inorganic Chemistry","2011","50","","1698","1704","10.1021/ic102167t","","","0.71073","MoKα","","0.0674","0.0462","","","0.0966","0.1031","","","","","","0.924","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324511","14.5284","0.0003","16.8813","0.0004","8.9158","0.0002","90","","90","","90","","2186.67","0.08","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H19 Cl N4 O3 Ru -","- C25 H19 Cl N4 O3 Ru -","- C100 H76 Cl4 N16 O12 Ru4 -","4","1","","Abhishek Dutta Chowdhury; Amit Das; Irshad K; Shaikh M. Mobin; Goutam Kumar Lahiri","Isomeric Complexes of [RuII(trpy)(L)Cl] (trpy = 2,2':6',2''-Terpyridine and HL = Quinaldic Acid): Preference of Isomeric Structural Form in Catalytic Chemoselective Epoxidation Process","Inorganic Chemistry","2011","50","","1775","1785","10.1021/ic102195w","","","0.71073","MoKα","","0.0362","0.0271","","","0.0442","0.0454","","","","","","0.904","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324513","26.531","0.002","10.717","0.0009","15.0153","0.0013","90","","90","","90","","4269.3","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H74 O2 P2 Pt -","- C45 H74 O2 P2 Pt -","- C180 H296 O8 P8 Pt4 -","4","1","","Stefanie Bertsch; Holger Braunschweig; Melanie Forster; Katrin Gruss; Krzysztof Radacki","Carbonyl Complexes of Platinum(0): Synthesis and Structure of [(Cy3P)2Pt(CO)] and [(Cy3P)2Pt(CO)2]","Inorganic Chemistry","2011","50","","1816","1819","10.1021/ic102200t","","","0.71073","MoKα","","0.0195","0.0174","","","0.0388","0.0397","","","","","","1.042","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324555","9.352","0.005","9.457","0.005","6.962","0.004","90","","90","","90","","615.7","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B3 Ge O7 Rb -","- B3 Ge O7 Rb -","- B12 Ge4 O28 Rb4 -","4","1","","Jian-Han Zhang; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study","Inorganic Chemistry","2011","50","","1973","1982","10.1021/ic102451n","","","0.71073","MoKα","","0.0294","0.0265","","","0.0504","0.0518","","","","","","1.055","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324824","24.255","0.006","8.473","0.002","20.757","0.006","90","","90","","90","","4265.8","1.9","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 H12 Cl Cu N4 O4 -","- C96 H144 Cl12 Cu12 N48 O48 -","12","3","","Moushumi Sarma; Biplab Mondal","Nitric Oxide Reduction of Copper(II) Complexes: Spectroscopic Evidence of Copper(II)-Nitrosyl Intermediate","Inorganic Chemistry","2011","50","","3206","3212","10.1021/ic1011988","","","0.71073","MoKα","","0.0662","0.0444","","","0.1051","0.1163","","","","","","1.04","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324836","19.6123","0.0007","12.5957","0.0004","36.6432","0.0012","90","","90","","90","","9052","0.5","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H19 Ag3 F18 Fe2 N6 O6 -","- C37 H19 Ag3 F18 Fe2 N6 O6 -","- C296 H152 Ag24 F144 Fe16 N48 O48 -","8","2","","Victoria N. Tsupreva; Alexey A. Titov; Oleg A. Filippov; Alexey N. Bilyachenko; Alexander F. Smol'yakov; Fedor M. Dolgushin; Denis V. Agapkin; Ivan A. Godovikov; Lina M. Epstein; Elena S. Shubina","Peculiarities of the Complexation of Copper and Silver Adducts of a 3,5-Bis(trifluoromethyl)pyrazolate Ligand with Organoiron Compounds","Inorganic Chemistry","2011","50","","3325","3331","10.1021/ic102132v","","","0.71073","MoKα","","0.06","0.0438","","","0.0782","0.0831","","","","","","1.051","","","","has coordinates,has disorder","179351","2020-10-21","18:00:00",""
"4324933","26.194","0.013","10.524","0.005","8.243","0.004","90","","90","","90","","2272.3","1.9","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H17 Co F6 N O5 -","- C23 H17 Co F6 N O5 -","- C92 H68 Co4 F24 N4 O20 -","4","1","","Pradip Pachfule; Raja Das; Pankaj Poddar; Rahul Banerjee","Structural, Magnetic, and Gas Adsorption Study of a Series of Partially Fluorinated Metal-Organic Frameworks (HF-MOFs)","Inorganic Chemistry","2011","50","","3855","3865","10.1021/ic1017246","","","0.71073","MoKα","","0.0641","0.055","","","0.1133","0.1168","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324935","26.406","0.008","10.626","0.003","8.473","0.003","90","","90","","90","","2377.4","1.3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H17 F6 Mn N O5 -","- C23 H17 F6 Mn N O5 -","- C92 H68 F24 Mn4 N4 O20 -","4","1","","Pradip Pachfule; Raja Das; Pankaj Poddar; Rahul Banerjee","Structural, Magnetic, and Gas Adsorption Study of a Series of Partially Fluorinated Metal-Organic Frameworks (HF-MOFs)","Inorganic Chemistry","2011","50","","3855","3865","10.1021/ic1017246","","","0.71073","MoKα","","0.0405","0.0354","","","0.0913","0.0935","","","","","","1.052","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325301","7.6952","0.0001","22.8324","0.0003","9.0117","0.0001","90","","90","","90","","1583.35","0.03","293","2","293","2","","","","","","","synthesis","5","P n a 21","P 2c -2n","33","","","","- C14 H22 Cl2 N2 Ru -","- C14 H22 Cl2 N2 Ru -","- C56 H88 Cl8 N8 Ru4 -","4","1","","Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez","Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State","Inorganic Chemistry","2011","50","","4868","4881","10.1021/ic200547k","","","1.54184","CuKα","","0.0343","0.0329","","","0.0904","0.0915","","","","","","1.083","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325305","19.49","0.02","11.295","0.012","5.654","0.006","90","","90","","90","","1245","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Potassium neptunium(V) hydrate chloride","","","- Cl4 K Np3 O7 -","- Cl4 K Np3 O7 -","- Cl16 K4 Np12 O28 -","4","1","","Shuao Wang; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","K(NpO2)3(H2O)Cl4: A Channel Structure Assembled by Two- and Three-Center Cation-Cation Interactions of Neptunyl Cations","Inorganic Chemistry","2011","50","","4692","4694","10.1021/ic200549f","","","0.71073","MoKα","","0.0257","0.0217","","","0.0374","0.0387","","","","","","0.984","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325441","17.45","0.003","12.6602","0.0017","12.6617","0.0018","90","","90","","90","","2797.2","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H25 Cl2 Fe O10 n5 -","- C25 H25 Cl Fe N5 O6 -","- C100 H100 Cl4 Fe4 N20 O24 -","4","1","","Casey S. Jackson; Sara Schmitt; Q. Ping Dou; Jeremy J. Kodanko","Synthesis, Characterization, and Reactivity of the Stable Iron Carbonyl Complex [Fe(CO)(N4Py)](ClO4)2: Photoactivated Carbon Monoxide Release, Growth Inhibitory Activity, and Peptide Ligation","Inorganic Chemistry","2011","50","","5336","5338","10.1021/ic200676s","","","0.71073","MoKα","","0.0718","0.0489","","","0.1075","0.1161","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325792","18.639","0.003","15.233","0.002","7.9877","0.0011","90","","90","","90","","2267.9","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H21 Cl4 N4 O2 Re -","- C17 H21 Cl4 N4 O2 Re -","- C68 H84 Cl16 N16 O8 Re4 -","4","1","","Katrin R. Grünwald; Gerald Saischek; Manuel Volpe; Nadia C. Mösch-Zanetti","Mechanistic Insight into Olefin Epoxidation Catalyzed by Rhenium(V) Oxo Complexes That Contain Pyridazine-Based Ligands","Inorganic Chemistry","2011","50","","7162","7171","10.1021/ic200756r","","","0.71073","MoKα","","0.0441","0.0301","","","0.0659","0.0715","","","","","","1.016","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325837","21.5547","0.0005","11.816","0.0008","19.0218","0.0009","90","","90","","90","","4844.7","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd(OAc)2(2,5-Mes2py)2","","","- C54 H66 N2 O5 Pd -","- C54 H66 N2 O5 Pd -","- C216 H264 N8 O20 Pd4 -","4","1","","Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry","Inorganic Chemistry","2011","50","","7309","7316","10.1021/ic201205p","","","0.71073","MoKα","","0.0379","0.0299","","","0.068","0.0704","","","","","","1.019","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325848","7.8827","0.0004","22.5032","0.0011","8.8948","0.0005","90","","90","","90","","1577.81","0.14","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H16 Cl2 O3 Pd S2 -","- C13 H16 Cl2 O3 Pd S2 -","- C52 H64 Cl8 O12 Pd4 S8 -","4","1","","Svetlana N. Dmitrieva; Natalia I. Sidorenko; Nikolay A. Kurchavov; Artem I. Vedernikov; Alexandra Ya. Freidzon; Lyudmila G. Kuz'mina; Aleksei K. Buryak; Tat'yana M. Buslaeva; Alexander A. Bagatur'yants; Yuri A. Strelenko; Judith A. K. Howard; Sergey P. Gromov","Macrocyclic Complexes of Palladium(II) with Benzothiacrown Ethers: Synthesis, Characterization, and Structure ofcisandtransIsomers","Inorganic Chemistry","2011","50","","7500","7510","10.1021/ic2003063","","","0.71073","MoKα","","0.0683","0.0478","","","0.0953","0.1022","","","","","","1.038","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325851","23.566","0.005","10.827","0.002","17.533","0.004","90","","90","","90","","4473.5","1.6","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H54 B10 O P4 Pd Pt -","- C33 H54 B10 O P4 Pd0.9972 Pt -","- C132 H216 B40 O4 P16 Pd3.9888 Pt4 -","4","1","","Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang","Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects","Inorganic Chemistry","2011","50","","7511","7523","10.1021/ic200374k","","","0.71073","MoKα","","0.0269","0.0243","","","0.062","0.0631","","","","","","1.032","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325853","23.901","0.005","10.743","0.002","17.573","0.004","90","","90","","90","","4512.2","1.6","150","2","150","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C33 H56 B10 Cl2 O2 P4 Pd Pt S -","- C33 H56 B10 Cl2 O2 P4 Pd Pt S -","- C132 H224 B40 Cl8 O8 P16 Pd4 Pt4 S4 -","4","1","","Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang","Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects","Inorganic Chemistry","2011","50","","7511","7523","10.1021/ic200374k","","","0.71073","MoKα","","0.0764","0.0469","","","0.0865","0.0961","","","","","","1.025","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325854","23.964","0.005","10.788","0.002","17.682","0.004","90","","90","","90","","4571.2","1.6","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H60 B10 O2 P4 Pd2 S -","- C38 H60 B10 O2 P4 Pd2 S -","- C152 H240 B40 O8 P16 Pd8 S4 -","4","1","","Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang","Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects","Inorganic Chemistry","2011","50","","7511","7523","10.1021/ic200374k","","","0.71073","MoKα","","0.0565","0.0433","","","0.1069","0.1152","","","","","","1.044","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4326092","12.135","0.0005","11.0417","0.0004","19.6509","0.0008","90","","90","","90","","2633.04","0.18","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadilanthanum(III)]pentahydrate}","","- C14 H20 La2 N4 O20 -","- C14 H10 La2 N4 O20 -","- C56 H40 La8 N16 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.054","0.0462","","","0.1139","0.1159","","","","","","1.078","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326093","12.056","0.0003","11.036","0.0003","19.561","0.0005","90","","90","","90","","2602.59","0.12","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadicerium(III)]pentahydrate}","","- C14 H20 Ce2 N4 O20 -","- C14 H10 Ce2 N4 O20 -","- C56 H40 Ce8 N16 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0468","0.0355","","","0.0755","0.0771","","","","","","0.95","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326094","12.002","0.0002","11.008","0.0001","19.473","0.0004","90","","90","","90","","2572.73","0.07","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadipraseodymium(III)]pentahydrate}","","- C14 H20 N4 O20 Pr2 -","- C14 H10 N4 O20 Pr2 -","- C56 H40 N16 O80 Pr8 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0434","0.034","","","0.0822","0.0836","","","","","","1.044","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326095","11.946","0.0002","10.989","0.0002","19.402","0.0003","90","","90","","90","","2546.99","0.07","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadineodymium(III)]pentahydrate}","","- C14 H20 N4 Nd2 O20 -","- C14 H10 N4 Nd2 O20 -","- C56 H40 N16 Nd8 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0329","0.0271","","","0.0643","0.0658","","","","","","1.032","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326096","11.868","0.0002","10.962","0.0003","19.307","0.0004","90","","90","","90","","2511.78","0.1","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadisamarium(III)]pentahydrate}","","- C14 H20 N4 O20 Sm2 -","- C14 H10 N4 O20 Sm2 -","- C56 H40 N16 O80 Sm8 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0444","0.0312","","","0.0582","0.0595","","","","","","0.858","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326097","11.828","0.0003","10.943","0.0017","19.261","0.0004","90","","90","","90","","2493","0.4","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadieuropium(III)]pentahydrate}","","- C14 H20 Eu2 N4 O20 -","- C14 H10 Eu2 N4 O20 -","- C56 H40 Eu8 N16 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0394","0.0301","","","0.0608","0.0619","","","","","","0.917","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326098","11.7927","0.0004","10.934","0.0003","19.2152","0.0007","90","","90","","90","","2477.63","0.14","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadigadolinium(III)]pentahydrate}","","- C14 H20 Gd2 N4 O20 -","- C14 H10 Gd2 N4 O20 -","- C56 H40 Gd8 N16 O80 -","4","1","","Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez","Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects","Inorganic Chemistry","2011","50","","8437","8451","10.1021/ic201013v","","","0.71073","MoKα","","0.0412","0.0302","","","0.0543","0.0554","","","","","","0.852","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326155","17.6596","0.0006","35.1067","0.0014","12.1038","0.0004","90","","90","","90","","7504","0.5","240","2","240","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Cl2 Fe N6 S2 -","- C21 H20 Cl2 Fe N6 S2 -","- C252 H240 Cl24 Fe12 N72 S24 -","12","3","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.1354","0.0651","","","0.1345","0.1575","","","","","","0.916","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326156","17.0392","0.0006","35.14","0.0014","11.8609","0.0004","90","","90","","90","","7101.8","0.4","104","2","104","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Cl2 Fe N6 S2 -","- C21 H20 Cl2 Fe N6 S2 -","- C252 H240 Cl24 Fe12 N72 S24 -","12","3","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0966","0.0643","","","0.1271","0.1358","","","","","","1.014","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326393","21.8024","0.0008","9.8191","0.0004","16.2885","0.0006","90","","90","","90","","3487","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H47 Mn N4 O6 Si3 U -","- C24 H47 Mn N4 O6 Si3 U -","- C96 H188 Mn4 N16 O24 Si12 U4 -","4","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0186","0.0174","","","0.0403","0.0406","","","","","","1.014","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326487","23.949","0.002","10.229","0.001","14.3115","0.0014","90","","90","","90","","3505.9","0.6","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","07211a","(N,N'-di-t-butyl-1,2-diaminoethane)-(3,5-di-t-butyl-1,2-semiquinonato) -copper(II) hexafluoroantimonate","","- C28 H52 Cu F6 N2 O3 Sb -","- C28 H52 Cu F6 N2 O3 Sb -","- C112 H208 Cu4 F24 N8 O12 Sb4 -","4","1","","Pratik Verma; John Weir; Liviu Mirica; T. Daniel P. Stack","Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes","Inorganic Chemistry","2011","50","","9816","9825","10.1021/ic200958g","","","0.71073","MoKα","","0.0321","0.0273","","","0.0636","0.0653","","","","","","1.04","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326681","30.132","0.0008","9.3911","0.0002","14.1378","0.0004","90","","90","","90","","4000.61","0.18","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C23 H20 Fe3 O2 P -","- C23 H20 Fe3 O2 P -","- C184 H160 Fe24 O16 P8 -","8","2","","Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Synthesis and Decarbonylation Reactions of the Triiron Phosphinidene Complex [Fe3Cp3(μ-H)(μ3-PPh)(CO)4]: Easy Cleavage and Formation of P-H and Fe-Fe Bonds","Inorganic Chemistry","2011","50","","10937","10948","10.1021/ic201491v","","x-ray","0.71073","MoKα","","0.0953","0.0861","","","0.2122","0.2237","","","","","","1.093","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326781","19.982","0.003","16.568","0.002","9.7591","0.0012","90","","90","","90","","3230.9","0.7","15","1","15","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H48 Fe3 N3 S6 Se W -","- C21 H48 Fe3 N3 S6 Se W -","- C84 H192 Fe12 N12 S24 Se4 W4 -","4","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.41328","synchrotron","","0.0681","0.0659","","","0.1967","0.1982","","","","","","1.039","","","","has coordinates,has disorder","179370","2020-10-21","18:00:00",""
"4326939","21.913","0.007","8.719","0.003","18.341","0.006","90","","90","","90","","3504","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H37 B N7 S Y -","- C35 H37 B N7 S Y -","- C140 H148 B4 N28 S4 Y4 -","4","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.064","0.0413","","","0.0982","0.115","","","","","","0.919","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326989","20.3397","0.0003","11.83101","0.00016","17.816","0.0002","90","","90","","90","","4287.23","0.1","100.15","","100.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C39 H31 F9 Fe N9 O5 P S -","- C39 H31 F9 Fe N9 O5 P S -","- C156 H124 F36 Fe4 N36 O20 P4 S4 -","4","1","","Heaweon Park; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad","Inorganic Chemistry","2011","50","","11978","11989","10.1021/ic201115s","","","0.7107","MoKα","","0.0292","0.0247","","","0.0581","0.0589","","","","","","1.057","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4327018","7.3162","0.0011","19.404","0.003","26.155","0.004","90","","90","","90","","3713.1","1","213","2","213","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C27 H16 Ba O7 -","- C27 H16 Ba O7 -","- C108 H64 Ba4 O28 -","4","1","","Maw Lin Foo; Satoshi Horike; Susumu Kitagawa","Synthesis and Characterization of a 1-D Porous Barium Carboxylate Coordination Polymer, [Ba(HBTB)] (H3BTB = Benzene-1,3,5-trisbenzoic Acid)","Inorganic Chemistry","2011","50","","11853","11855","10.1021/ic201814g","","x-ray","0.71075","MoKα","","0.0512","0.0469","","","0.1536","0.1565","","","","","","1.119","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327099","19.795","0.0008","12.613","0.0006","17.7058","0.0008","90","","90","","90","","4420.7","0.3","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H45 I P3 Rh -","- C54 H45 I P3 Rh -","- C216 H180 I4 P12 Rh4 -","4","1","","Aurélien Béthegnies; Vladislava A. Kirkina; Oleg A. Filippov; Jean-Claude Daran; Natalia V. Belkova; Elena Shubina; Rinaldo Poli","Coordination and Organometallic Chemistry of Relevance to the Rhodium-Based Catalyst for Ethylene Hydroamination","Inorganic Chemistry","2011","50","","12539","12552","10.1021/ic201508m","","","0.71073","MoKα","","0.0275","0.0236","","","0.0558","0.057","","","","","","1.049","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327251","11.992","0.0008","35.632","0.002","11.1812","0.0006","90","","90","","90","","4777.7","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C51 H60 Pt S4 -","- C50 H52 Pt S4 -","- C200 H208 Pt4 S16 -","4","1","","József Sándor Pap; Flávio Luiz Benedito; Eberhard Bothe; Eckhard Bill; Serena DeBeer George; Thomas Weyhermüller; Karl Wieghardt","Dimerization Processes of Square Planar [PtII(tbpy)(dithiolato.)]+ Radicals","Inorganic Chemistry","2007","46","","4187","4196","10.1021/ic070130+","","","0.71073","MoKα","","0.0786","0.0525","","","0.1198","0.132","","","","","","1.011","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327450","7.4154","0.0012","15.985","0.003","26.476","0.004","90","","90","","90","","3138.3","0.9","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H35 Au3 N6 O -","- C34 H35 Au3 N6 O -","- C136 H140 Au12 N24 O4 -","4","1","","Guang Yang; Raphael G. Raptis","Supramolecular Assembly of Trimeric Gold(I) Pyrazolates through Aurophilic Attractions","Inorganic Chemistry","2003","42","","261","263","10.1021/ic026051+","","","0.71073","MoKα","","0.0435","0.0384","","","0.099","0.1016","","","","","","1.041","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327587","19.569","0.0004","17.107","0.0006","15.916","0.0006","90","","90","","90","","5328.1","0.3","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C129 H106 Cl6 Co2 N12 O -","- C129 H98 Cl6 Co2 N12 O -","- C258 H196 Cl12 Co4 N24 O2 -","2","0.5","","Roger Guilard; Claude P. Gros; Frédéric Bolze; François Jérôme; Zhongping Ou; Jianguo Shao; Jean Fischer; Raymond Weiss; Karl M. Kadish","Alkyl and Aryl Substituted Corroles. 1. Synthesis and Characterization of Free Base and Cobalt Containing Derivatives. X-ray Structure of (Me4Ph5Cor)Co(py)2","Inorganic Chemistry","2001","40","","4845","4855","10.1021/ic010177+","","","0.71073","Mo-Kα","","0.111","0.069","","0.11","","0.083","","","1.92","","","1.488","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327704","14.43","0.003","9.813","0.002","14.37","0.003","90","","90","","90","","2034.8","0.7","208","2","208","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H27 Cl3 N O2 Ta -","- C16 H27 Cl3 N O2 Ta -","- C64 H108 Cl12 N4 O8 Ta4 -","4","1","","Kurt S. Heinselman; Vincent M. Miskowski; Steven J. Geib; Louis C. Wang; Michael D. Hopkins","Molecular Structures and FT-Raman Spectroscopy of Luminescent Niobium and Tantalum Arylimido Compounds","Inorganic Chemistry","1997","36","","5530","5538","10.1021/ic970494+","","","0.71073","MoKα","","0.0247","0.0183","","0.042","0.0396","","","","0.965","0.98","0.98","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327707","14.494","0.006","9.819","0.003","14.342","0.004","90","","90","","90","","2041.1","1.2","208","2","208","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H27 Cl3 N Nb O2 -","- C16 H27 Cl3 N Nb O2 -","- C64 H108 Cl12 N4 Nb4 O8 -","4","1","","Kurt S. Heinselman; Vincent M. Miskowski; Steven J. Geib; Louis C. Wang; Michael D. Hopkins","Molecular Structures and FT-Raman Spectroscopy of Luminescent Niobium and Tantalum Arylimido Compounds","Inorganic Chemistry","1997","36","","5530","5538","10.1021/ic970494+","","","0.71073","MoKα","","0.0296","0.0235","","0.0556","0.0522","","","","1.057","1.073","1.073","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327790","24.476","0.005","9.954","0.002","18.156","0.004","90","","90","","90","","4423.4","1.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","C8H14[OSSO]Ti(OiPr)2","C8H14[OSSO]Ti(OiPr)2","","- C44 H72 O4 S2 Ti -","- C44 H72 O4 S2 Ti -","- C176 H288 O16 S8 Ti4 -","4","1","","Norio Nakata; Tomoyuki Toda; Tsukasa Matsuo; Akihiko Ishii","Titanium Complexes Supported by an [OSSO]-Type Bis(phenolato) Ligand Based on a trans-Cyclooctanediyl Platform: Synthesis, Structures, and 1-Hexene Polymerization","Inorganic Chemistry","2012","51","","274","281","10.1021/ic2016484","","","0.71075","MoKα","","0.0558","0.05","","","0.1194","0.1241","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327871","9.7707","0.0005","12.3992","0.0007","13.0323","0.0007","90","","90","","90","","1578.85","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrakis(μ~2~-trifluoroacetato-O,O')-bismuth-rhodium(II,II)","","- C8 Bi F12 O8 Rh -","- C8 Bi F12 O8 Rh -","- C32 Bi4 F48 O32 Rh4 -","4","1","","Alexander S. Filatov; Margaret Napier; Volodimir D. Vreshch; Natalie J. Sumner; Evgeny V. Dikarev; Marina A. Petrukhina","From Solid State to Solution: Advancing Chemistry of Bi-Bi and Bi-Rh Paddlewheel Carboxylates","Inorganic Chemistry","2012","51","","566","571","10.1021/ic202089p","","","0.71073","Mo-Kα","","0.0309","0.0264","","","0.0561","0.0567","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327971","31.492","0.003","8.097","0.0007","21.497","0.002","90","","90","","90","","5481.5","0.9","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H84 Cl2 N8 O5 S -","- C46 H84 Cl2 N8 O5 S -","- C184 H336 Cl8 N32 O20 S4 -","4","1","","Arghya Basu; Gopal Das","Neutral Acyclic Anion Receptor with Thiadiazole Spacer: Halide Binding Study and Halide-Directed Self-Assembly in the Solid State","Inorganic Chemistry","2012","51","","882","889","10.1021/ic201656y","","","0.71073","MoKα","","0.1082","0.0533","","","0.1323","0.1677","","","","","","0.893","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4327972","31.372","0.007","8.1971","0.0019","21.581","0.005","90","","90","","90","","5550","2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H84 Br2 N8 O5 S -","- C46 H84 Br2 N8 O5 S -","- C184 H336 Br8 N32 O20 S4 -","4","1","","Arghya Basu; Gopal Das","Neutral Acyclic Anion Receptor with Thiadiazole Spacer: Halide Binding Study and Halide-Directed Self-Assembly in the Solid State","Inorganic Chemistry","2012","51","","882","889","10.1021/ic201656y","","","0.71073","MoKα","","0.1072","0.0459","","","0.089","0.1097","","","","","","0.992","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4328043","13.6653","0.0006","12.842","0.0006","14.0734","0.0007","90","","90","","90","","2469.7","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H24 N10 O4 S2 Zn -","- C20 H24 N10 O4 S2 Zn -","- C80 H96 N40 O16 S8 Zn4 -","4","1","","Fangfang Pan; Ruimin Wang; Ulli Englert","Switching from Bonding to Nonbonding: Temperature-Dependent Metal Coordination in a Zinc(II) Sulfadiazine Complex","Inorganic Chemistry","2012","51","","769","771","10.1021/ic202303c","","","0.71073","MoKα","","0.051","0.027","","","","0.07","","","","","","1.0628","","","","has coordinates","191013","2020-10-21","18:00:00",""
"4328044","13.8","0.004","12.646","0.004","14.13","0.004","90","","90","","90","","2465.9","1.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H24 N10 O4 S2 Zn -","- C20 H24 N10 O4 S2 Zn -","- C80 H96 N40 O16 S8 Zn4 -","4","1","","Fangfang Pan; Ruimin Wang; Ulli Englert","Switching from Bonding to Nonbonding: Temperature-Dependent Metal Coordination in a Zinc(II) Sulfadiazine Complex","Inorganic Chemistry","2012","51","","769","771","10.1021/ic202303c","","","0.71073","MoKα","","0.0413","0.0344","","","0.0779","0.0821","","","","","","1.037","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328045","13.879","0.005","12.582","0.004","14.203","0.005","90","","90","","90","","2480.2","1.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H24 N10 O4 S2 Zn -","- C20 H24 N10 O4 S2 Zn -","- C80 H96 N40 O16 S8 Zn4 -","4","1","","Fangfang Pan; Ruimin Wang; Ulli Englert","Switching from Bonding to Nonbonding: Temperature-Dependent Metal Coordination in a Zinc(II) Sulfadiazine Complex","Inorganic Chemistry","2012","51","","769","771","10.1021/ic202303c","","","0.71073","MoKα","","0.0511","0.0366","","","0.0765","0.0829","","","","","","1.014","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328090","10.266","0.003","18.021","0.005","11.124","0.003","90","","90","","90","","2058","1","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","NCr(NiPr2)2(OPhF)","","","- C18 H32 Cr F N3 O -","- C18 H32 Cr F N3 O -","- C72 H128 Cr4 F4 N12 O4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.1184","0.0832","","","0.1954","0.2138","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328146","22.5173","0.0007","12.1833","0.0004","19.6759","0.0006","90","","90","","90","","5397.8","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","(tBuClip)Mo(O)(Lut) . CH3CN","Oxo(3,5-lutidine)(4,4'-Di-tert-butylbiphenyl-2,2'-bis((2-oxy-3,5-di-tert- butylphenyl)amido)molybdenum(VI) acetonitrile solvate","","- C57 H76 Mo N4 O3 -","- C57 H76 Mo N4 O3 -","- C228 H304 Mo4 N16 O12 -","4","1","","Jason A. Kopec; Sukesh Shekar; Seth N. Brown","Molybdenum(VI) Complexes of a 2,2'-Biphenyl-bridged Bis(amidophenoxide): Competition between Metal-Ligand and Metal-Amidophenoxide π Bonding","Inorganic Chemistry","2012","51","","1239","1250","10.1021/ic201736h","","","1.54178","CuKα","","0.0339","0.0322","","","0.0817","0.0827","","","","","","1.052","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328513","9.562","0.002","9.795","0.003","21.767","0.006","90","","90","","90","","2038.7","0.9","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H17 Br N3 O7 Re -","- C16 H17 Br N3 O7 Re -","- C64 H68 Br4 N12 O28 Re4 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0511","0.0343","","","0.0742","0.0811","","","","","","0.981","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328789","21.584","0.002","10.4967","0.001","27.416","0.003","90","","90","","90","","6211.4","1.1","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H84 Eu2 N8 O2 Si4 -","- C54 H84 Eu2 N8 O2 Si4 -","- C216 H336 Eu8 N32 O8 Si16 -","4","1","","Lijuan Yan; Haidong Liu; Junfeng Wang; Yong Zhang; Qi Shen","Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and One-Electron-Transfer Reactions","Inorganic Chemistry","2012","51","","4151","4160","10.1021/ic202505d","","","0.71075","MoKα","","0.0986","0.0729","","","0.116","0.1299","","","","","","1.111","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328841","21.1024","0.0005","16.9179","0.0004","17.0954","0.0004","90","","90","","90","","6103.2","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H43 N3 Zr -","- C34 H43 N3 Zr -","- C272 H344 N24 Zr8 -","8","2","","Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm","From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato ""Pogo Stick"" Complex with Imido-Type Reactivity","Inorganic Chemistry","2012","51","","4368","4378","10.1021/ic300129z","","","1.54184","CuKα","","0.0423","0.0342","","","0.0886","0.0927","","","","","","1.005","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328902","16.174","0.003","18.447","0.003","12.683","0.002","90","","90","","90","","3784.1","1.1","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H40 F12 N6 O2 P2 Pt -","- C32 H40 F12 N6 O2 P2 Pt -","- C128 H160 F48 N24 O8 P8 Pt4 -","4","1","","Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick","Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups","Inorganic Chemistry","2012","51","","4572","4587","10.1021/ic202462a","","","0.7749","synchrotron","","0.0399","0.037","","","0.0905","0.0921","","","","","","1.04","","","","has coordinates,has disorder","179392","2020-10-21","18:00:00",""
"4329077","18.709","0.003","11.982","0.002","9.4404","0.0017","90","","90","","90","","2116.3","0.6","173.1","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H32 F3 N4 Ni O3 S -","- C15 H32 F3 N4 Ni O3 S -","- C60 H128 F12 N16 Ni4 O12 S4 -","4","1","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl Sulfide Pendants","Inorganic Chemistry","2012","51","","5173","5187","10.1021/ic300017k","","","0.7107","MoKα","","","0.0269","","","","0.0741","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329235","11.118","0.005","35.748","0.005","16.381","0.005","90","0.005","90","0.005","90","0.005","6511","4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H40 N5 Ni O12 Y -","- C27 H40 N5 Ni O12 Y -","- C216 H320 N40 Ni8 O96 Y8 -","8","2","","Enrique Colacio; José Ruiz; Antonio J. Mota; María A. Palacios; Eduard Cremades; Eliseo Ruiz; Fraser J. White; Euan K. Brechin","Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear NiIILnIII Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior","Inorganic Chemistry","2012","51","","5857","5868","10.1021/ic3004596","","","0.71069","MoKα","","0.0407","0.0328","","","0.0775","0.0798","","","","","","1.017","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329285","19.742","0.002","13.3563","0.0016","33.573","0.004","90","","90","","90","","8852.5","1.7","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C250 H496 Cl12 Cu8 N52 O16 P32 -","- C250 H496 Cl12 Cu8 N52 O16 P32 -","- C250 H496 Cl12 Cu8 N52 O16 P32 -","1","0.25","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.0886","0.0569","","","0.1173","0.1289","","","","","","0.947","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329320","16.046","0.011","8.88","0.006","23.199","0.016","90","","90","","90","","3306","4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H24 Cl Mn2 N11 O11 -","- C24 H24 Cl Mn2 N11 O11 -","- C96 H96 Cl4 Mn8 N44 O44 -","4","1","","Marta Arroyo; Patricia Gómez-Iglesias; Jose Miguel Martín-Alvarez; Celedonio M. Alvarez; Daniel Miguel; Fernando Villafañe","Coordination versus Coupling of Dicyanamide in Molybdenum and Manganese Pyrazole Complexes","Inorganic Chemistry","2012","51","","6070","6080","10.1021/ic202631c","","","0.71073","MoKα","","0.183","0.1054","","","0.1751","0.206","","","","","","1.192","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329581","28.464","0.003","14.0417","0.0014","9.3917","0.0009","90","","90","","90","","3753.7","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tris(N,N-dimethylaminodiboranato)erbium(III)","","- C12 H72 B12 Er2 N6 -","- C12 H72 B12 Er2 N6 -","- C48 H288 B48 Er8 N24 -","4","1","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.1403","0.0476","","","0.0612","0.0762","","","","","","0.712","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329591","28.546","0.003","14.0655","0.0014","9.4086","0.0007","90","","90","","90","","3777.7","0.6","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H72 B12 N6 Y2 -","- C12 H72 B12 N6 Y2 -","- C48 H288 B48 N24 Y8 -","4","1","","Scott R. Daly; Do Young Kim; Gregory S. Girolami","Lanthanide N,N-Dimethylaminodiboranates as a New Class of Highly Volatile Chemical Vapor Deposition Precursors","Inorganic Chemistry","2012","51","","7050","7065","10.1021/ic201852j","","","0.71073","MoKα","","0.1342","0.0462","","","0.0725","0.0851","","","","","","0.729","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329610","18.831","0.003","9.2993","0.0013","18.569","0.003","90","","90","","90","","3251.7","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H45 B Cu N10 O2 -","- C28 H45 B Cu N10 O2 -","- C112 H180 B4 Cu4 N40 O8 -","4","1","","Mukesh Kumar; Natalie A. Dixon; Anna C. Merkle; Matthias Zeller; Nicolai Lehnert; Elizabeth T. Papish","Hydrotris(triazolyl)borate Complexes as Functional Models for Cu Nitrite Reductase: The Electronic Influence of Distal Nitrogens","Inorganic Chemistry","2012","51","","7004","7006","10.1021/ic300160c","","","0.71073","MoKα","","0.0505","0.0434","","","0.1093","0.114","","","","","","1.059","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329613","20.1861","0.0008","10.3567","0.0004","12.9174","0.0005","90","","90","","90","","2700.53","0.18","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H39 Cl3 N P2 Rh -","- C21 H39 Cl3 N P2 Rh -","- C84 H156 Cl12 N4 P8 Rh4 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Oxygen Reduction Reactions of Monometallic Rhodium Hydride Complexes","Inorganic Chemistry","2012","51","","7192","7201","10.1021/ic300279z","","","0.71073","MoKα","","0.0203","0.0183","","","0.0442","0.0457","","","","","","1.075","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329669","30.464","0.0013","31.004","0.0013","18.902","0.0008","90","","90","","90","","17853","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C98 H102 N4 O50 Zn9 -","- C98 H79 N4 O50 Zn9 -","- C392 H316 N16 O200 Zn36 -","4","1","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.108","0.0645","","","0.1402","0.1528","","","","","","0.943","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329708","6.8389","0.0004","13.8406","0.0007","10.9849","0.0006","90","","90","","90","","1039.77","0.1","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl N3 O2 Pd -","- C9 H10 Cl N3 O2 Pd -","- C36 H40 Cl4 N12 O8 Pd4 -","4","1","","Evangelia S. Koumousi; Marianthi Zampakou; Catherine P. Raptopoulou; Vassilis Psycharis; Christine M. Beavers; Simon J. Teat; George Psomas; Theocharis C. Stamatatos","First Palladium(II) and Platinum(II) Complexes from Employment of 2,6-Diacetylpyridine Dioxime: Synthesis, Structural and Spectroscopic Characterization, and Biological Evaluation","Inorganic Chemistry","2012","51","","7699","7710","10.1021/ic300739x","","","0.7749","synchrotron","","0.0268","0.0261","","","0.0691","0.0696","","","","","","1.055","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329737","25.2743","0.0017","19.7358","0.0014","12.2496","0.0008","90","","90","","90","","6110.2","0.7","193","2","193","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C37 H81 B F4 N5 P5 Re6 Se8 -","- C37 H81 B F4 N5 P5 Re6 Se8 -","- C148 H324 B4 F16 N20 P20 Re24 Se32 -","4","1","","Jessica L. Durham; Joan N. Tirado; Stanley A. Knott; Meghan K. Oh; Robert McDonald; Lisa F. Szczepura","Preparation of a Family of Hexanuclear Rhenium Cluster Complexes Containing 5-(Phenyl)tetrazol-2-yl Ligands and Alkylation of 5-Substituted Tetrazolate Ligands","Inorganic Chemistry","2012","51","","7825","7836","10.1021/ic300877r","","","0.71073","MoKα","","0.0345","0.0254","","","0.0492","0.0519","","","","","","0.992","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329771","27.4347","0.001","15.5104","0.0004","9.9631","0.0003","90","","90","","90","","4239.5","0.2","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C8 H46 N4 O34 P4 Rb2 V5 -","- C8 H18 N2 O35 P4 Rb2 V5 -","- C32 H72 N8 O140 P16 Rb8 V20 -","4","1","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.0568","0.0538","","","0.165","0.1665","","","","","","1.089","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4329861","18.7448","0.0008","21.5298","0.001","9.3518","0.0004","90","","90","","90","","3774.1","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H14 B N S -","- C8 H14 B N S -","- C128 H224 B16 N16 S16 -","16","4","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0476","0.0375","","","0.0879","0.093","","","","","","1.037","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329983","15.9689","0.0002","20.4498","0.0003","7.5262","0.0001","90","","90","","90","","2457.76","0.06","180","2","180","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C14 H18 I4 N4 O4 Rh2 -","- C14 H18 I4 N4 O4 Rh2 -","- C56 H72 I16 N16 O16 Rh8 -","4","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.0221","0.0219","","","0.055","0.0551","","","","","","1.048","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329991","27.2252","0.0005","11.592","0.0002","8.1745","0.0002","90","","90","","90","","2579.83","0.09","133","2","133","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H21 F6 N6 O Os P -","- C25 H21 F6 N6 O Os P -","- C100 H84 F24 N24 O4 Os4 P4 -","4","1","","Lai-Hon Chung; Siu-Chung Chan; Wing-Chun Lee; Chun-Yuen Wong","Emissive Osmium(II) Complexes Supported by N-Heterocyclic Carbene-based C^C^C-Pincer Ligands and Aromatic Diimines","Inorganic Chemistry","2012","51","","8693","8703","10.1021/ic202726g","","","1.54178","CuKα","","0.0302","0.0297","","","0.0773","0.0776","","","","","","1.108","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4330007","8.752","0.002","40.166","0.009","9.726","0.002","90","","90","","90","","3419","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H42 N10 O17 Zn2 -","- C21 H40 N10 O17 Zn2 -","- C84 H160 N40 O68 Zn8 -","4","1","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.0721","0.0424","","","0.0931","0.1033","","","","","","0.917","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330296","15.8523","0.0008","8.3188","0.0005","21.5884","0.0012","90","","90","","90","","2846.9","0.3","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H0 Ce O29 U2 -","- C12 Ce O29 U2 -","- C48 Ce4 O116 U8 -","4","1","","Ionut Mihalcea; Christophe Volkringer; Natacha Henry; Thierry Loiseau","Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers with Aromatic Polycarboxylates Linkers","Inorganic Chemistry","2012","51","","9610","9618","10.1021/ic3005757","","","0.71073","MoKα","","0.0612","0.0365","","","0.0375","0.04","","","","1.39","1.39","1.25","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4330297","15.8367","0.0008","8.3203","0.0006","21.5047","0.0003","90","","90","","90","","2833.6","0.3","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H0 Nd O29 U2 -","- C12 Nd O29 U2 -","- C48 Nd4 O116 U8 -","4","1","","Ionut Mihalcea; Christophe Volkringer; Natacha Henry; Thierry Loiseau","Series of Mixed Uranyl-Lanthanide (Ce, Nd) Organic Coordination Polymers with Aromatic Polycarboxylates Linkers","Inorganic Chemistry","2012","51","","9610","9618","10.1021/ic3005757","","","0.71073","MoKα","","0.0443","0.0313","","","0.0351","0.0375","","","","1.05","1.05","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4330335","17.551","0.005","14.52","0.004","18.101","0.005","90","","90","","90","","4613","2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H34 Cl4 Fe2 N10 O -","- C44 H34 Cl4 Fe2 N10 O -","- C176 H136 Cl16 Fe8 N40 O4 -","4","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.0978","0.0724","","","0.1879","0.2143","","","","","","1.096","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330337","17.4656","0.0019","14.5552","0.0016","18.158","0.002","90","","90","","90","","4616","0.9","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H34 Cl4 Co2 N10 O -","- C44 H34 Cl4 Co2 N10 O -","- C176 H136 Cl16 Co8 N40 O4 -","4","1","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1866","0.0833","","","0.1926","0.247","","","","","","0.997","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330505","18.2484","0.0017","12.8958","0.0012","41.2","0.004","90","","90","","90","","9695.5","1.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C57 H58 Co3 N6 P2 -","- C57 H58 Co3 N6 P2 -","- C456 H464 Co24 N48 P16 -","8","2","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0472","0.032","","","0.0623","0.067","","","","","","1.013","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330584","20.188","0.007","12.681","0.004","16.605","0.006","90","","90","","90","","4251","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H65 B N9 Si2 Y -","- C35 H65 B N9 Si2 Y -","- C140 H260 B4 N36 Si8 Y4 -","4","1","","Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou","Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes","Inorganic Chemistry","2012","51","","10631","10638","10.1021/ic3008552","","","0.71073","MoKα","","0.0786","0.0559","","","0.1269","0.1336","","","","","","0.919","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330642","18.9238","0.0004","10.6747","0.0003","18.5213","0.0005","90","","90","","90","","3741.41","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H36 Cu F6 N4 P -","- C42 H36 Cu F6 N4 P -","- C168 H144 Cu4 F24 N16 P4 -","4","1","","Subhadip Neogi; Gregor Schnakenburg; Yvonne Lorenz; Marianne Engeser; Michael Schmittel","Implications of Stoichiometry-Controlled Structural Changeover Between Heteroleptic Trigonal [Cu(phenAr2)(py)]+ and Tetragonal [Cu(phenAr2)(py)2]+ Motifs for Solution and Solid-State Supramolecular Self-Assembly","Inorganic Chemistry","2012","51","","10832","10841","10.1021/ic301286w","","","0.71073","MoKα","","0.0501","0.0458","","","0.1211","0.1249","","","","","","1.045","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330684","16.7365","0.0019","12.7588","0.0015","32.639","0.004","90","","90","","90","","6969.7","1.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","H2pyN2(SN3), HOTf, MeCN","","","- C33 H40 F3 N7 O5 S2 -","- C33 H39 F3 N7 O5 S2 -","- C264 H312 F24 N56 O40 S16 -","8","2","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.1014","0.0653","","","0.1407","0.1602","","","","","","1.033","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330866","13.4888","0.0002","7.3348","0.0001","12.1051","0.0002","90","","90","","90","","1197.65","0.03","123","1","123","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Cl3 N -","- C6 H15 Al Cl3 N -","- C24 H60 Al4 Cl12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","1.54178","CuKα","","0.0222","0.0221","","","0.058","0.0583","","","","","","1.08","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330867","13.4888","0.0002","7.3348","0.0001","12.1051","0.0002","90","","90","","90","","1197.65","0.03","123","1","123","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","1.54178","CuKα","","0.0276","0.0272","","","0.0635","0.0637","","","","","","1.119","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330870","13.4428","0.0008","7.3325","0.0003","12.0808","0.0006","90","","90","","90","","1190.8","0.1","100","1","100","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0357","0.0314","","","0.0506","0.0572","","","","","","1.03","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330871","13.4728","0.0007","7.3315","0.0003","12.0931","0.0005","90","","90","","90","","1194.51","0.09","123","1","123","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0377","0.0328","","","0.0528","0.0565","","","","","","0.994","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330872","13.4804","0.0008","7.318","0.0003","12.0869","0.0006","90","","90","","90","","1192.37","0.1","153","1","153","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0474","0.0402","","","0.0828","0.089","","","","","","1.085","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330873","13.5724","0.0007","7.3292","0.0003","12.1407","0.0005","90","","90","","90","","1207.69","0.09","203","1","203","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0576","0.0429","","","0.0815","0.0898","","","","","","1.032","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330874","13.6452","0.0009","7.3395","0.0003","12.1837","0.0006","90","","90","","90","","1220.18","0.11","253","1","253","1","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C6 H15 Al Br3 N -","- C6 H15 Al Br3 N -","- C24 H60 Al4 Br12 N4 -","4","1","","Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak","Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study","Inorganic Chemistry","2012","51","","11602","11611","10.1021/ic301507c","","x-ray","0.71073","MoKα","","0.0717","0.0404","","","0.0552","0.0652","","","","","","1.009","","","","has coordinates,has disorder","179411","2020-10-21","18:00:00",""
"4330950","24.927","0.005","12.716","0.003","19.096","0.004","90","","90","","90","","6053","2","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H98 Ho Li O4 Si3 -","- C51 H98 Ho Li O4 Si3 -","- C204 H392 Ho4 Li4 O16 Si12 -","4","1","","Ling Xu; Zitao Wang; Wen-Xiong Zhang; Zhenfeng Xi","Rare-Earth Metal Tris(trimethylsilylmethyl) Anionic Complexes Bearing One 1-Phenyl-2,3,4,5-tetrapropylcyclopentadienyl Ligand: Synthesis, Structural Characterization, and Application","Inorganic Chemistry","2012","51","","11941","11948","10.1021/ic3018369","","","0.71073","MoKα","","0.1279","0.0691","","","0.1579","0.1782","","","","","","0.871","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4331069","16.1737","0.0019","8.229","0.0009","15.1638","0.0016","90","","90","","90","","2018.2","0.4","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H21 N9 -","- C21 H21 N9 -","- C84 H84 N36 -","4","1","","Meng-Jung Tsai; Jing-Yun Wu; Ming-Hsi Chiang; Cheng-Hao Huang; Ming-Yu Kuo; Long-Li Lai","Infinite Copper(II) Coordination Architectures from a Resonative Aminotriazine-Derived Tripodal Ligand: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2012","51","","12360","12371","10.1021/ic3016854","","","0.71073","MoKα","","0.042","0.0333","","","0.0705","0.0739","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331077","8.5228","0.0007","18.95","0.003","9.0507","0.0012","90","","90","","90","","1461.8","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H10 Bi F3 O3 S -","- C13 H10 Bi F3 O3 S -","- C52 H40 Bi4 F12 O12 S4 -","4","1","","Jens Beckmann; Jens Bolsinger; Andrew Duthie; Pamela Finke; Enno Lork; Carsten Lüdtke; Ole Mallow; Stefan Mebs","Mesityltellurenyl Cations Stabilized by Triphenylpnictogens [MesTe(EPh3)]+ (E = P, As, Sb)","Inorganic Chemistry","2012","51","","12395","12406","10.1021/ic3017722","","","0.71073","MoKα","","0.037","0.0306","","","0.0712","0.0736","","","","","","1.074","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331207","19.3435","0.0012","11.8867","0.0007","8.0716","0.0005","90","","90","","90","","1855.9","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H32 B11 N O -","- C10 H32 B11 N O -","- C40 H128 B44 N4 O4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.0472","0.0372","","","0.0932","0.1008","","","","","","1.046","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331246","5.887","0.002","7.94","0.002","36.911","0.011","90","","90","","90","","1725.3","0.9","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline","Inorganic Chemistry","2012","51","","13081","13095","10.1021/ic300775n","","","0.71073","MoKα","","0.1687","0.0549","","","0.1179","0.1492","","","","","","0.886","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331332","12.8036","0.0009","29.016","0.002","12.8192","0.0009","90","","90","","90","","4762.5","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Bi2.65 Ge0.68 Se8 Sr2.67 -","- Bi2.65767 Ge0.681 Se8 Sr2.66133 -","- Bi31.892 Ge8.172 Se96 Sr31.936 -","12","3","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.0851","0.0451","","","0.1129","0.1362","","","","","","1.007","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331333","12.8349","0.0015","29.068","0.003","12.8475","0.0015","90","","90","","90","","4793.2","0.9","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Bi7 Ge2 Se24 Sr8 Y -","- Bi7 Ge2 Se24 Sr8.1 Y0.99 -","- Bi28 Ge8 Se96 Sr32.4 Y3.96 -","4","1","","Ming-Yan Chung; Chi-Shen Lee","Multinary Selenides with Unusual Coordination Environment of Bismuth","Inorganic Chemistry","2012","51","","13328","13333","10.1021/ic302027b","","","0.71073","MoKα","","0.115","0.0499","","","0.101","0.1256","","","","","","1.041","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331494","8.9104","0.0009","16.506","0.0019","5.4554","0.0006","90","","90","","90","","802.35","0.15","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,5-Diamino-1H-tetrazolium iodide","","- C2 H7 I N6 -","- C2 H7 I N6 -","- C8 H28 I4 N24 -","4","1","","Gálvez-Ruiz, Juan Carlos; Holl, Gerhard; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Löhnwitz, Karolin; Mayer, Peter; Nöth, Heinrich; Polborn, Kurt; Rohbogner, Christoph J.; Suter, Max; Weigand, Jan J.","Derivatives of 1,5-Diamino-1H-tetrazole: A New Family of Energetic Heterocyclic-Based Salts","Inorganic Chemistry","2005","44","12","4237","4253","10.1021/ic050104g","","x-ray","0.71073","MoKα","","0.0488","0.0329","","","0.072","0.074","","","","","","0.868","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331548","21.9667","0.0012","16.5006","0.0009","36.265","0.002","90","","90","","90","","13144.7","1.2","198","1","198","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C70 H66 B2 F8 N2 P4 Pt2 -","- C70 H66 B2 F8 N2 P4 Pt2 -","- C560 H528 B16 F64 N16 P32 Pt16 -","8","2","","Bérubé, Jean-François; Gagnon, Karl; Fortin, Daniel; Decken, Andreas; Harvey, Pierre D.","Solution and Solid-State Properties of Luminescent M−M Bond-Containing Coordination/Organometallic Polymers Using the RNC-M2(dppm)2-CNR Building Blocks (M = Pd, Pt; R = Aryl, Alkyl)","Inorganic Chemistry","2006","45","7","2812","2823","10.1021/ic0509480","","x-ray","0.71073","MoKα","","0.0334","0.0263","","","0.065","0.0682","","","","","","1.04","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331564","14.339","0.013","8.366","0.008","17.215","0.016","90","","90","","90","","2065","3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca F22 P2 Xe5 -","- Ca F22 P2 Xe5 -","- Ca4 F88 P8 Xe20 -","4","1","","Bunič, Tina; Tavčar, Gašper; Tramšek, Melita; Žemva, Boris","Coordination of XeF2to Calcium and Cadmium Hexafluorophosphates(V)","Inorganic Chemistry","2006","45","3","1038","1042","10.1021/ic051083t","","","0.71069","MoKα","","0.0413","0.0346","","","0.0746","0.0801","","","","","","1.103","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331565","14.082","0.002","17.177","0.012","8.47","0.0015","90","","90","","90","","2048.8","1.5","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd F22 P2 Xe5 -","- Cd F22 P2 Xe5 -","- Cd4 F88 P8 Xe20 -","4","1","","Bunič, Tina; Tavčar, Gašper; Tramšek, Melita; Žemva, Boris","Coordination of XeF2to Calcium and Cadmium Hexafluorophosphates(V)","Inorganic Chemistry","2006","45","3","1038","1042","10.1021/ic051083t","","","0.71069","MoKα","","0.0367","0.0326","","","0.0695","0.0728","","","","","","1.079","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331728","24.524","0.005","23.142","0.005","22.978","0.005","90","","90","","90","","13041","5","173","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C53 H120 Cr2 O4 Si4 -","- C53 H120 Cr2 O4 Si4 -","- C424 H960 Cr16 O32 Si32 -","8","2","","Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.","The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)","Inorganic Chemistry","2006","45","5","2008","2021","10.1021/ic051481w","","","0.71073","MoKα","","0.12","0.0652","","","0.1432","0.1755","","","","","","1.037","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331918","9.5124","0.0019","16.439","0.003","19.317","0.004","90","","90","","90","","3020.7","1","153","1","153","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H24 N7 Nd O13 Zn -","- C26 H24 N7 Nd O13 Zn -","- C104 H96 N28 Nd4 O52 Zn4 -","4","1","","Wong, Wai-Kwok; Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Lynch, Vince; Lo, Wing-Kit; Xiao, Dang; Oye, Michael M.; Holmes, Archie L.","Multinuclear Luminescent Schiff-Base Zn−Nd Sandwich Complexes","Inorganic Chemistry","2006","45","11","4340","4345","10.1021/ic051866e","","","0.71073","MoKα","","0.0501","0.0341","","","0.076","0.0824","","","","","","1.024","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4332028","19.9276","0.0007","20.5446","0.0007","9.3913","0.0003","90","","90","","90","","3844.8","0.2","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","(Et4N)[Cu(neo)Ni(PhPepS)].H2O","","","- C42 H46 Cu N5 Ni O3 S2 -","- C42 H46 Cu N5 Ni O3 S2 -","- C168 H184 Cu4 N20 Ni4 O12 S8 -","4","1","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Synthetic Analogues of the Active Site of the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Syntheses, Structures, and Reactions with CO","Inorganic Chemistry","2006","45","8","3424","3436","10.1021/ic0520465","","","0.71073","MoKα","","0.0338","0.028","","","0.0675","0.0692","","","","","","1.086","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332053","17.4704","0.0005","9.5119","0.0002","16.4666","0.0005","90","","90","","90","","2736.37","0.13","173","2","173","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C27 H41 N3 S Zn -","- C27 H41 N3 S Zn -","- C108 H164 N12 S4 Zn4 -","4","1","","Barrett, Anthony G. M.; Gray, Andrew A.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.; White, Andrew J. P.","Imino Sulfinamidines: Synthesis and Coordination Chemistry of a Novel Class of Chiral Bidentate Ligands","Inorganic Chemistry","2006","45","8","3352","3358","10.1021/ic052104m","","x-ray","0.71073","MoKα","","0.0509","0.0404","","","0.1014","0.1085","","","","","","1.037","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332202","10.984","0.0012","27.25","0.003","11.1182","0.0012","90","","90","","90","","3327.8","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H48 Cl3.77 Cu4 I0.23 N4 O4 -","- C23 H48 Cl3.7691 Cu4 I0.2309 N4 O4 -","- C92 H192 Cl15.0764 Cu16 I0.9236 N16 O16 -","4","1","","Hamid, Mazhar; Tahir, Asif A.; Mazhar, Muhammad; Zeller, Matthias; Molloy, Kieran C.; Hunter, Allen D.","Synthesis of Isostructural Cage Complexes of Copper with Cobalt and Nickel for Deposition of Mixed Ceramic Oxide Materials","Inorganic Chemistry","2006","45","26","10457","10466","10.1021/ic060119u","","","0.71073","MoKα","","0.0285","0.0271","","","0.0647","0.0653","","","","","","1.03","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332355","19.0972","0.0012","7.8864","0.0005","13.7586","0.0008","90","","90","","90","","2072.2","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H18 N2 O7 Zn -","- C88 H72 N8 O28 Zn4 -","4","1","","Zhang, Jian; Chen, Yu-Biao; Chen, Shu-Mei; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","A Polar Luminescent Zn Polymer Containing an Unusual Noninterpenetrated utp Net","Inorganic Chemistry","2006","45","8","3161","3163","10.1021/ic060276t","","","0.71073","MoKα","","","0.046","","","0.1228","0.1397","","","","","","1.026","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332399","21.9004","0.0009","7.2807","0.0003","11.8634","0.0005","90","","90","","90","","1891.62","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H28 Br2 Mn N8 O2 -","- C12 H28 Br2 Mn N8 O2 -","- C48 H112 Br8 Mn4 N32 O8 -","4","1","","Frost, Brian J.; Bautista, Carolyn M.; Huang, Rongcai; Shearer, Jason","Manganese Complexes of 1,3,5-Triaza-7-phosphaadamantane (PTA): The First Nitrogen-Bound Transition-Metal Complex of PTA","Inorganic Chemistry","2006","45","9","3481","3483","10.1021/ic060322p","","","0.71073","MoKα","","0.0241","0.0219","","","0.0491","0.0497","","","","","","1.038","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332565","18.0264","0.0005","12.4289","0.0003","17.6357","0.0005","90","","90","","90","","3951.25","0.18","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H42 N4 O10 P2 Zn2 -","- C38 H42 N4 O10 P2 Zn2 -","- C152 H168 N16 O40 P8 Zn8 -","4","1","","Hu, Liangming; Fan, Jian; Slebodnick, Carla; Hanson, Brian E.","Structural Diversity in 4,4‘-Trimethylenedipyridine−zinc phosphite Hybrids: Incorporation of Neutral Guest Molecules in Hybrid Materials","Inorganic Chemistry","2006","45","19","7681","7688","10.1021/ic0605266","","x-ray","0.71073","MoKα","","0.069","0.0345","","","0.0454","0.0493","","","","","","0.785","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332722","22.1187","0.0005","15.0113","0.0004","12.0885","0.0004","90","","90","","90","","4013.75","0.19","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H64 Cr N6 -","- C40 H64 Cr N6 -","- C160 H256 Cr4 N24 -","4","1","","El-Kadri, Oussama M.; Heeg, Mary Jane; Winter, Charles H.","Synthesis, Structure, and Properties of a Dimeric Chromium(II) Pyrazolato Complex with a Long Chromium−Chromium Distance. Maintenance of a Dimeric Structure in Solution and Interconversion between Dimeric and Monomeric Structures","Inorganic Chemistry","2006","45","14","5278","5280","10.1021/ic060749w","","","0.71073","MoKα","","0.0922","0.0527","","","0.097","0.1121","","","","","","0.975","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332769","9.2344","0.0016","4.929","0.0008","8.4825","0.0014","90","","90","","90","","386.09","0.11","133","2","20","","","","","","","","","3","P n a 21","P 2c -2n","33","","Osmiumoxidpentafluorid","","- F5 O Os -","- F5 O Os -","- F20 O4 Os4 -","4","1","","Shorafa, Hashem; Seppelt, Konrad","Osmium(VII) Fluorine Compounds","Inorganic Chemistry","2006","45","19","7929","7934","10.1021/ic0608290","","","0.71073","MoKα","","0.0458","0.0288","","","0.064","0.0695","","","","","","1.044","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332822","41.041","0.002","10.1287","0.0005","40.3822","0.0018","90","","90","","90","","16786.6","1.4","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","none","","","- C100 H70 N2 O16 Zn4 -","- C100 H64 N2 O16 Zn4 -","- C400 H256 N8 O64 Zn16 -","4","1","","Sun, Daofeng; Ke, Yanxiong; Mattox, Tracy M.; Parkin, Sean; Zhou, Hong-Cai","Stability and Porosity Enhancement through Concurrent Ligand Extension and Secondary Building Unit Stabilization","Inorganic Chemistry","2006","45","19","7566","7568","10.1021/ic0609002","","","0.71073","MoKα","","0.12","0.0711","","","0.146","0.1611","","","","","","0.905","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332916","37.2352","0.0005","11.7024","0.0001","14.9951","0.0002","90","","90","","90","","6533.98","0.14","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C54 H99 Ag3 I P3 Se4 W -","- C54 H99 Ag3 I P3 Se4 W -","- C216 H396 Ag12 I4 P12 Se16 W4 -","4","1","","Zhang, Qian-Feng; Ding, Jihai; Yu, Zhan; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung","Syntheses, Structures, and Nonlinear Optical Properties of Heteroselenometallic W−Se−Ag Cluster Compounds Containing Phosphine Ligands","Inorganic Chemistry","2006","45","21","8638","8647","10.1021/ic0610839","","","0.71073","MoKα","","0.0543","0.031","","","0.0513","0.0569","","","","","","1.006","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333007","10.9968","0.0003","9.6424","0.0003","14.3616","0.0002","90","","90","","90","","1522.84","0.07","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl N2 Ni -","- C14 H25 Cl N2 Ni -","- C56 H100 Cl4 N8 Ni4 -","4","1","","Dible, Benjamin R.; Sigman, Matthew S.","Steric Effects in the Aerobic Oxidation of π-Allylnickel(II) Complexes withN-Heterocyclic Carbenes","Inorganic Chemistry","2006","45","20","8430","8441","10.1021/ic0612451","","","0.71073","MoKα","","0.0279","0.024","","","0.0521","0.0539","","","","","","1.054","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333020","17.941","0.003","12.671","0.002","16.64","0.003","90","","90","","90","","3782.8","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H66 Cl3 N Os2 -","- C37 H66 Cl3 N Os2 -","- C148 H264 Cl12 N4 Os8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique","Preparation and Characterization of Novel Os−Diolefin Dimers: New Entry to Os−Cyclooctadiene Complexes","Inorganic Chemistry","2006","45","25","10162","10171","10.1021/ic0612799","","","0.71073","MoKα","","0.0471","0.0327","","","0.0434","0.0457","","","","","","0.816","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333166","15.0309","0.0008","13.7979","0.0008","8.628","0.0005","90","","90","","90","","1789.4","0.17","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H7 B K N7 S6 -","- C8 H7 B K N7 S6 -","- C32 H28 B4 K4 N28 S24 -","4","1","","Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.","Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains","Inorganic Chemistry","2006","45","26","10998","11007","10.1021/ic0615877","","","0.71073","MoKα","","0.0281","0.0271","","","0.0674","0.0681","","","","","","1.033","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333401","20.047","0.004","11.296","0.002","16.169","0.003","90","","90","","90","","3661.5","1.2","243","2","243","2","","","","","","","","5","P n a 21","P 2c -2n","33","","bis(4-(3,3-dimethylbutanoyl-3-methyl-1-phenyl)pyrazolon- 5-ato-O,O')-diethoxy-titanium(iv)","","- C36 H48 N4 O6 Ti -","- C36 H48 N4 O6 Ti -","- C144 H192 N16 O24 Ti4 -","4","1","","Caruso, Francesco; Pettinari, Claudio; Marchetti, Fabio; Natanti, Paolo; Phillips, Christine; Tanski, Joseph; Rossi, Miriam","Synthesis, molecular structure (X-ray and DFT), and solution behavior of titanium 4-Acyl-5-pyrazolonates. Correlations with related antitumor beta-diketonato derivatives.","Inorganic chemistry","2007","46","18","7553","7560","10.1021/ic700935x","","","0.71073","MoKα","","0.0977","0.0441","","","0.0904","0.1042","","","","","","1.002","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333457","23.374","0.006","8.965","0.002","15.057","0.003","90","","90","","90","","3155.2","1.2","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H43 Mo N O3 S2 Si -","- C30 H43 Mo N O3 S2 Si -","- C120 H172 Mo4 N4 O12 S8 Si4 -","4","1","","Wang, Jun-Jieh; Holm, R. H.","Silylation, Sulfidation, and Benzene-1,2-dithiolate Complexation Reactions of Oxo- and Oxosulfidomolybdates(VI) and -Tungstates(VI)","Inorganic Chemistry","2007","46","26","11156","11164","10.1021/ic701294y","","","0.71073","MoKα","","0.0364","0.0301","","","0.0638","0.066","","","","","","0.993","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333639","23.538","0.005","14.372","0.003","15.616","0.003","90","","90","","90","","5282.7","1.9","100","2","100.14","","","","","","","","","6","P n a 21","P 2c -2n","33","","trans-bis(pyridine)-(N,N'-ethylene-bis(acetylacetoniminato)) -cobalt(iii) bromide ethanol solvate","","- C24 H36 Br Co N4 O4 -","- C24 H36 Br Co N4 O4 -","- C192 H288 Br8 Co8 N32 O32 -","8","2","","Lisa M. Manus; Robert J. Holbrook; Tulay A. Atesin; Marie C. Heffern; Allison S. Harney; Amanda L. Eckermann; Thomas J. Meade","Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics","Inorganic Chemistry","2013","52","","1069","1076","10.1021/ic302379j","","","0.71073","MoKα","","0.0371","0.0362","","","0.0867","0.0871","","","","","","1.156","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333859","31.488","0.006","10.5599","0.0018","9.584","0.0016","90","","90","","90","","3186.8","1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38.6 H35.2 Br Mn N6 O -","- C38.599 H35.198 Br Mn N6 O -","- C154.396 H140.792 Br4 Mn4 N24 O4 -","4","1","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.71073","MoKα","","0.0574","0.0395","","","0.0727","0.0776","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333979","15.8054","0.0006","12.0035","0.0003","15.7935","0.0007","90","","90","","90","","2996.34","0.19","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H33 B3 Co2 Mo2 O6 S -","- C26 H33 B3 Co2 Mo2 O6 S -","- C104 H132 B12 Co8 Mo8 O24 S4 -","4","1","","Arunabha Thakur; Kiran Kumar Varma Chakrahari; Bijan Mondal; Sundargopal Ghosh","Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck","Inorganic Chemistry","2013","52","","2262","2264","10.1021/ic3022358","","","0.71073","MoKα","","0.0192","0.0176","","","0.0398","0.0407","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333980","15.8493","0.0005","12.1257","0.0004","15.9708","0.0005","90","","90","","90","","3069.33","0.17","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H33 B3 Co2 Mo2 O6 Se -","- C26 H33 B3 Co2 Mo2 O6 Se -","- C104 H132 B12 Co8 Mo8 O24 Se4 -","4","1","","Arunabha Thakur; Kiran Kumar Varma Chakrahari; Bijan Mondal; Sundargopal Ghosh","Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck","Inorganic Chemistry","2013","52","","2262","2264","10.1021/ic3022358","","","0.71073","MoKα","","0.0428","0.0266","","","0.0416","0.0452","","","","","","1.01","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333999","23.7452","0.0011","10.6244","0.0005","10.9461","0.0005","90","","90","","90","","2761.5","0.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H3 N Ni O15 Ru5 -","- C18 H3 N Ni O15 Ru5 -","- C72 H12 N4 Ni4 O60 Ru20 -","4","1","","Sumit Saha; Lei Zhu; Burjor Captain","Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization","Inorganic Chemistry","2013","52","","2526","2532","10.1021/ic302470w","","","0.71073","MoKα","","0.0419","0.0296","","","0.0607","0.0652","","","","","","1.01","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4334063","11.7105","0.0002","9.8464","0.0002","16.34","0.0004","90","","90","","90","","1884.1","0.07","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H18 F6 N3 Os P -","- C17 H18 F6 N3 Os P -","- C68 H72 F24 N12 Os4 P4 -","4","1","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.047","0.043","","","0.1248","0.1282","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334064","11.619","0.0003","9.683","0.0003","16.5337","0.0004","90","","90","","90","","1860.15","0.09","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H17 F6 N2 O Os P -","- C17 H17 F6 N2 O Os P -","- C68 H68 F24 N8 O4 Os4 P4 -","4","1","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.0499","0.0463","","","0.1322","0.1355","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334254","15.911","0.001","15.951","0.001","25.86","0.001","90","","90","","90","","6563.2","0.6","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Cl16 Cs7 Nd11 O36 Se12 -","- Cl16 Cs7 Nd11 O36 Se12 -","- Cl64 Cs28 Nd44 O144 Se48 -","4","1","","Peter S. Berdonosov; Lev Akselrud; Yurii Prots; Artem M. Abakumov; Philippe F. Smet; Dirk Poelman; Gustaaf Van Tendeloo; Valery A. Dolgikh","Cs7Nd11(SeO3)12Cl16: First Noncentrosymmetric Structure among Alkaline-Metal Lanthanide Selenite Halides","Inorganic Chemistry","2013","52","","3611","3619","10.1021/ic301442f","","","0.71073","MoKα","","","0.046","","","","0.0477","","","","","","1.01","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334368","16.431","0.002","19.339","0.003","7.6498","0.0009","90","","90","","90","","2430.8","0.6","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H42 Br Fe N P4 -","- C16 H42 Br Fe N P4 -","- C64 H168 Br4 Fe4 N4 P16 -","4","1","","Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock","Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine","Inorganic Chemistry","2013","52","","4026","4039","10.1021/ic4000704","","","0.71073","MoKα","","0.0772","0.0424","","","0.0613","0.0689","","","","","","1.011","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334419","10.113","0.002","27.024","0.006","11.881","0.003","90","","90","","90","","3247","1.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H40 Br4 P2 Pt -","- C32 H40 Br4 P2 Pt -","- C128 H160 Br16 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0266","0.0243","","","0.0559","0.0566","","","","","","1.037","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334428","12.1025","0.0004","5.26761","0.0001","3.71319","0.0001","90","","90","","90","","236.721","0.011","923","","923","","","","","","","","","4","P n a 21","P 2c -2n","33","Calcium borosilicate","","","- B0.66 Ca O2.66 Si0.33 -","- B0.66 Ca O2.634 Si0.34 -","- B2.64 Ca4 O10.536 Si1.36 -","4","1","","Emmanuel Véron; Mounesha N. Garaga; Denis Pelloquin; Sylvian Cadars; Matthew Suchomel; Emmanuelle Suard; Dominique Massiot; Valérie Montouillout; Guy Matzen; Mathieu Allix","Synthesis and Structure Determination of CaSi1/3B2/3O8/3: A New Calcium Borosilicate","Inorganic Chemistry","2013","52","","4250","4258","10.1021/ic302114t","powder diffraction","neutron","1.59516","neutron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334537","22.3408","0.0016","11.4849","0.0008","9.6579","0.0006","90","","90","","90","","2478","0.3","193","2","193","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C28 H42 B P -","- C28 H42 B P -","- C112 H168 B4 P4 -","4","1","","Sébastien Bontemps; Marc Devillard; Sonia Mallet-Ladeira; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","Phosphino-Boryl-Naphthalenes: Geometrically Enforced, Yet Lewis Acid Responsive P →B Interactions","Inorganic Chemistry","2013","52","","4714","4720","10.1021/ic4003466","","x-ray","0.71073","MoKα","","0.042","0.0352","","","0.0851","0.0895","","","","","","1.029","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334538","16.923","0.003","11.311","0.0017","14.553","0.002","90","","90","","90","","2785.7","0.8","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H42 B P -","- C34 H42 B P -","- C136 H168 B4 P4 -","4","1","","Sébastien Bontemps; Marc Devillard; Sonia Mallet-Ladeira; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","Phosphino-Boryl-Naphthalenes: Geometrically Enforced, Yet Lewis Acid Responsive P →B Interactions","Inorganic Chemistry","2013","52","","4714","4720","10.1021/ic4003466","","","0.71073","MoKα","","0.1127","0.0578","","","0.0936","0.1082","","","","","","0.884","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334548","19.098","0.002","21.111","0.003","11.5956","0.0015","90","","90","","90","","4675.1","1","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C49 H60 Fe2 N4 P3 -","- C49 H60 Fe2 N4 P3 -","- C196 H240 Fe8 N16 P12 -","4","1","","Subramaniam Kuppuswamy; Tamara M. Powers; Bruce M. Johnson; Mark W. Bezpalko; Carl K. Brozek; Bruce M. Foxman; Louise A. Berben; Christine M. Thomas","Metal-Metal Interactions in C3-Symmetric Diiron Imido Complexes Linked by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","4802","4811","10.1021/ic302108k","","","0.71073","MoKα","","0.0269","0.0235","","0.0564","0.0536","0.0564","","","","","","0.9913","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334582","9.3569","0.0017","14.609","0.003","16.563","0.003","90","","90","","90","","2264.1","0.7","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H11 Co N7 Pt S4 -","- C19 H11 Co N7 Pt S4 -","- C76 H44 Co4 N28 Pt4 S16 -","4","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0604","0.0471","","","0.0853","0.089","","","","","","1.048","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334639","16.498","0.005","8.417","0.003","19.454","0.006","90","","90","","90","","2701.5","1.5","300","2","300","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H26 Cl F6 N6 P Ru -","- C23 H26 Cl F6 N6 P Ru -","- C92 H104 Cl4 F24 N24 P4 Ru4 -","4","1","","Mohamed Dakkach; Ahmed Atlamsani; Teodor Parella; Xavier Fontrodona; Isabel Romero; Montserrat Rodríguez","New Aqua N-Heterocyclic Carbene Ru(II) Complexes with Two-Electron Process as Selective Epoxidation Catalysts: An Evaluation of Geometrical and Electronic Effects","Inorganic Chemistry","2013","52","","5077","5087","10.1021/ic302863h","","","0.71073","MoKα","","0.0777","0.0477","","","0.1178","0.1312","","","","","","1.015","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334640","16.833","0.003","8.3726","0.0016","19.44","0.004","90","","90","","90","","2739.8","0.9","300","2","300","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H26 Br F6 N6 P Ru -","- C23 H26 Br F6 N6 P Ru -","- C92 H104 Br4 F24 N24 P4 Ru4 -","4","1","","Mohamed Dakkach; Ahmed Atlamsani; Teodor Parella; Xavier Fontrodona; Isabel Romero; Montserrat Rodríguez","New Aqua N-Heterocyclic Carbene Ru(II) Complexes with Two-Electron Process as Selective Epoxidation Catalysts: An Evaluation of Geometrical and Electronic Effects","Inorganic Chemistry","2013","52","","5077","5087","10.1021/ic302863h","","","0.71073","MoKα","","0.0965","0.0497","","","0.1101","0.1298","","","","","","1.011","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334661","15.603","0.005","7.912","0.005","11.574","0.005","90","0.005","90","0.005","90","0.005","1428.8","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl4 P2 Si -","- C6 H16 Cl4 P2 Si -","- C24 H64 Cl16 P8 Si4 -","4","1","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71075","MoKα","","0.0631","0.0559","","","0.0723","0.0746","","","","","","1.112","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334995","17.8025","0.0018","13.3672","0.0014","25.167","0.004","90","","90","","90","","5989","1.3","170","","170","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C65 H53 Cl4 N6 P2 Re -","- C65 H53 Cl4 N6 P2 Re -","- C260 H212 Cl16 N24 P8 Re4 -","4","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0815","","","","0.2556","","","","","","1.056","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4335021","16.705","0.003","14.313","0.002","10.486","0.002","90","","90","","90","","2507.2","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H35 N2 Si Y -","- C28 H35 N2 Si Y -","- C112 H140 N8 Si4 Y4 -","4","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.1534","0.0535","","","0.0818","0.1049","","","","","","0.948","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335029","16.962","0.003","14.525","0.002","10.5377","0.0015","90","","90","","90","","2596.2","0.7","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H35 Eu N O Si -","- C28 H35 Eu N O Si -","- C112 H140 Eu4 N4 O4 Si4 -","4","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0726","0.042","","","0.0852","0.0999","","","","","","1.084","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335032","16.577","0.014","14.323","0.012","10.305","0.009","90","","90","","90","","2447","4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H35 N2 Si Sm -","- C28 H35 N2 Si Sm -","- C112 H140 N8 Si4 Sm4 -","4","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.1701","0.0648","","","0.1006","0.1345","","","","","","0.974","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335076","24.533","0.005","19.257","0.004","13.229","0.003","90","","90","","90","","6250","2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","{Hydrotris(pyrazolyl)borate-κ^3^ <i>N</i>,<i>N</i>',<i>N</i>''}-{1-phenyl-2- (1-methyl-1H-imidazol-2-yl)-3-pyridyl-prop-1-ylidene-2-carboxylic acid methyl ester-κ^3^ <i>C</i>,<i>N</i>,<i>N</i>'}-ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate","","- C61 H41 B2 F24 N9 O2 Ru -","- C61 H41 B2 F24 N9 O2 Ru -","- C244 H164 B8 F96 N36 O8 Ru4 -","4","1","","Francys E. Fernández; María del Carmen Puerta; Pedro Valerga","Functionalized N-Heterocyclic Carbene Nonspectator Ligands upon Internal Alkyne Activation Reactions","Inorganic Chemistry","2013","52","","6502","6509","10.1021/ic400433z","","x-ray","0.71073","MoKα","","0.0825","0.0655","","","0.1481","0.162","","","","","","1.059","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335451","15.8054","0.0006","12.0035","0.0003","15.7935","0.0007","90","","90","","90","","2996.34","0.19","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H33 B3 Co2 Mo2 O6 S -","- C26 H33 B3 Co2 Mo2 O6 S -","- C104 H132 B12 Co8 Mo8 O24 S4 -","4","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0192","0.0176","","","0.0398","0.0407","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335452","15.8493","0.0005","12.1257","0.0004","15.9708","0.0005","90","","90","","90","","3069.33","0.17","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H33 B3 Co2 Mo2 O6 Se -","- C26 H33 B3 Co2 Mo2 O6 Se -","- C104 H132 B12 Co8 Mo8 O24 Se4 -","4","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0428","0.0266","","","0.0416","0.0452","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335469","20.0533","0.0013","9.9881","0.0005","26.4832","0.0017","90","","90","","90","","5304.4","0.6","173","2","173.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C35 H27 Cl2 F30 N6 O9 P Ru2 -","- C35 H27 Cl2 F30 N6 O9 P Ru2 -","- C140 H108 Cl8 F120 N24 O36 P4 Ru8 -","4","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New ""Spin"" on Mixed Valency","Inorganic Chemistry","2013","52","","8053","8066","10.1021/ic400704j","","","0.71073","MoKα","","0.0634","0.0431","","","0.0835","0.0941","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","179457","2020-10-21","18:00:00",""
"4335517","22.0259","0.0004","10.2622","0.0002","12.318","0.0002","90","","90","","90","","2784.29","0.09","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H15 F23 N6 Ti5 -","- C9 H15 F23 N6 Ti5 -","- C36 H60 F92 N24 Ti20 -","4","1","","Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej","Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions","Inorganic Chemistry","2013","52","","8315","8326","10.1021/ic302468j","","","0.71069","MoKα","","0.0352","0.0317","","","0.0869","0.0898","","","","","","1.086","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335529","32.006","0.008","14.851","0.004","11.859","0.003","90","","90","","90","","5637","3","269","1","269","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 Dy N27 O33 -","- C36 H36 Dy N27 O33 -","- C144 H144 Dy4 N108 O132 -","4","1","","Min Ren; Dawid Pinkowicz; Minyoung Yoon; Kimoon Kim; Li-Min Zheng; Brian K. Breedlove; Masahiro Yamashita","Dy(III) Single-Ion Magnet Showing Extreme Sensitivity to (De)hydration","Inorganic Chemistry","2013","52","","8342","8348","10.1021/ic400430q","","","0.71073","MoKα","","0.066","0.0499","","","0.1195","0.1279","","","","","","1.072","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335845","22.676","0.008","11.281","0.004","5.1022","0.0016","90","","90","","90","","1305.2","0.8","173.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H11 N5 O2 S -","- C14 H11 N5 O2 S -","- C56 H44 N20 O8 S4 -","4","1","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0648","","","","0.1211","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335920","9.881","0.009","27.42","0.03","9.803","0.009","90","","90","","90","","2656","4","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H25 N7 O Ru -","- C31 H25 N7 O Ru -","- C124 H100 N28 O4 Ru4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.1059","0.0888","","","0.1549","0.163","","","","","","1.16","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4336126","19.032","0.0005","8.471","0.0002","14.147","0.0008","90","","90","","90","","2280.78","0.15","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","[Cu(py333)](ClO4)2","","","- C16 H29 Cl2 Cu N5 O8 -","- C16 H29 Cl2 Cu N5 O8 -","- C64 H116 Cl8 Cu4 N20 O32 -","4","1","","Raquel Belda; Javier Pitarch-Jarque; Conxa Soriano; José M. Llinares; Salvador Blasco; Jesús Ferrando-Soria; Enrique García-España","Intermolecular Binding Modes in a Novel [1 + 1] Condensation 1H-Pyrazole Azamacrocycle: A Solution and Solid State Study with Evidence for CO2 Fixation","Inorganic Chemistry","2013","52","","10795","10803","10.1021/ic400645t","","","0.71073","MoKα","","0.1099","0.0729","","","0.1766","0.2128","","","","","","1.04","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336146","6.0002","0.0007","22.295","0.003","12.1967","0.0013","90","","90","","90","","1631.6","0.3","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H13 B Cl F N2 O -","- C20 H13 B Cl F N2 O -","- C80 H52 B4 Cl4 F4 N8 O4 -","4","1","","Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak","Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices","Inorganic Chemistry","2013","52","","10846","10859","10.1021/ic400729t","","","0.71073","MoKα","","0.0877","0.0402","","0.1021","0.0673","0.1021","","","","","","0.9998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336307","15.3185","0.0007","8.0781","0.0003","27.4363","0.0013","90","","90","","90","","3395.1","0.3","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl3 Ga N4 -","- C11 H24 Cl3 Ga N4 -","- C88 H192 Cl24 Ga8 N32 -","8","2","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0451","0.0319","","","0.0601","0.0635","","","","","","1.059","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336428","23.6314","0.0013","8.1301","0.0009","21.381","0.004","90","","90","","90","","4107.8","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H48 N8 Ni2 O2 -","- C42 H48 N8 Ni2 O2 -","- C168 H192 N32 Ni8 O8 -","4","1","","Alexander G. Tskhovrebov; Euro Solari; Rosario Scopelliti; Kay Severin","Insertion of Zerovalent Nickel into the N-N Bond of N-Heterocyclic-Carbene-Activated N2O","Inorganic Chemistry","2013","52","","11688","11690","10.1021/ic401524w","","","0.71073","MoKα","","0.0405","0.0311","","","0.0557","0.0593","","","","","","1.084","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336520","26.538","0.008","13.985","0.004","12.769","0.004","90","","90","","90","","4739","2","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H29 N O2 Pt -","- C28 H29 N O2 Pt -","- C224 H232 N8 O16 Pt8 -","8","2","","Alberto Bossi; Andreas F. Rausch; Markus J. Leitl; Rafał Czerwieniec; Matthew T. Whited; Peter I. Djurovich; Hartmut Yersin; Mark E. Thompson","Photophysical Properties of Cyclometalated Pt(II) Complexes: Counterintuitive Blue Shift in Emission with an Expanded Ligand π System","Inorganic Chemistry","2013","52","","12403","12415","10.1021/ic4011532","","","0.71073","MoKα","","0.0415","0.0401","","","0.0918","0.0925","","","","","","1.075","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336599","10.5268","0.0018","26.589","0.005","15.428","0.002","90","","90","","90","","4318.3","1.2","93","","93","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40.5 H68 Cl Ir N4 -","- C40.5 H68 Cl Ir N4 -","- C162 H272 Cl4 Ir4 N16 -","4","1","","David J. Nelson; Byron J. Truscott; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis and Reactivity of New Bis(N-heterocyclic carbene) Iridium(I) Complexes","Inorganic Chemistry","2013","52","","12674","12681","10.1021/ic4018773","","","0.71075","MoKα","","","0.0609","","","","0.1682","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336654","17.196","0.003","12.963","0.002","32.342","0.006","90","","90","","90","","7209","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C308 H300 Ir8 N44 O64 Zn4 -","- C308 H300 Ir8 N44 O64 Zn4 -","- C308 H300 Ir8 N44 O64 Zn4 -","1","0.25","","Lina Li; Shuquan Zhang; Liangjin Xu; Liang Han; Zhong-Ning Chen; Junhua Luo","An Intensely Luminescent Metal-Organic Framework Based on a Highly Light-Harvesting Dyclo-Metalated Iridium(III) Unit Showing Effective Detection of Explosives","Inorganic Chemistry","2013","52","","12323","12325","10.1021/ic402158n","","","0.71073","MoKα","","0.0412","0.0369","","","0.1014","0.1199","","","","","","1.068","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336674","25.781","0.005","10.253","0.002","8.2286","0.0016","90","","90","","90","","2175.1","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H24 Cl4 Fe N2 Sn -","- C18 H24 Cl4 Fe N2 Sn -","- C72 H96 Cl16 Fe4 N8 Sn4 -","4","1","","Zhiliang You; Stefanie Dehnen","Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation","Inorganic Chemistry","2013","52","","12332","12334","10.1021/ic4022992","","","0.71073","MoKα","","0.0575","0.0419","","","0.0934","0.0959","","","","","","0.811","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4337281","25.612","0.005","4.3295","0.0009","6.6549","0.0013","90","","90","","90","","737.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B5 Be2 O11 Y -","- B5 Be2 O11 Y -","- B20 Be8 O44 Y4 -","4","1","","Yan, Xue; Luo, Siyang; Lin, Zheshuai; Yao, Jiyong; He, Ran; Yue, Yinchao; Chen, Chuangtian","ReBe2B5O11 (Re = Y, Gd): Rare-Earth Beryllium Borates as Deep-Ultraviolet Nonlinear-Optical Materials.","Inorganic chemistry","2014","53","4","1952","1954","10.1021/ic4029436","","","0.71073","MoKα","","0.0384","0.0367","","","0.0854","0.0862","","","","","","1.035","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337282","25.784","0.005","4.3454","0.0009","6.6886","0.0013","90","","90","","90","","749.4","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B5 Be2 Gd O11 -","- B5 Be2 Gd O11 -","- B20 Be8 Gd4 O44 -","4","1","","Yan, Xue; Luo, Siyang; Lin, Zheshuai; Yao, Jiyong; He, Ran; Yue, Yinchao; Chen, Chuangtian","ReBe2B5O11 (Re = Y, Gd): Rare-Earth Beryllium Borates as Deep-Ultraviolet Nonlinear-Optical Materials.","Inorganic chemistry","2014","53","4","1952","1954","10.1021/ic4029436","","","0.71073","MoKα","","0.0241","0.0222","","","0.0434","0.0441","","","","","","1.067","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337320","16.6901","0.0011","8.1097","0.0013","20.289","0.0012","90","","90","","90","","2746.2","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H23 N11 O5 Zn2 -","- C24 H23 N11 O5 Zn2 -","- C96 H92 N44 O20 Zn8 -","4","1","","Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers.","Inorganic chemistry","2014","53","3","1500","1506","10.1021/ic402467g","","","0.71073","MoKα","","0.1486","0.0741","","","0.0987","0.1185","","","","","","0.954","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337339","24.0316","0.0013","12.4015","0.0007","29.9633","0.0016","90","","90","","90","","8929.9","0.8","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C78 H74 Co2 F24 La2 N4 O16 -","- C78 H74 Co2 F24 La2 N4 O16 -","- C312 H296 Co8 F96 La8 N16 O64 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0455","0.0365","","","0.0824","0.0872","","","","","","1.129","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337407","18.6631","0.0014","24.0308","0.0018","10.9921","0.0008","90","","90","","90","","4929.8","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H81 N2 O3 Si2 Yb -","- C46 H81 N2 O3 Si2 Yb -","- C184 H324 N8 O12 Si8 Yb4 -","4","1","","Basalov, Ivan V.; Roşca, Sorin Claudiu; Lyubov, Dmitry M.; Selikhov, Alexander N.; Fukin, Georgy K.; Sarazin, Yann; Carpentier, Jean-François; Trifonov, Alexander A.","Divalent heteroleptic ytterbium complexes - effective catalysts for intermolecular styrene hydrophosphination and hydroamination.","Inorganic chemistry","2014","53","3","1654","1661","10.1021/ic4027859","","","0.71073","MoKα","","0.0733","0.0415","","","0.0722","0.0787","","","","","","0.978","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337621","23.5057","0.0016","13.567","0.001","24.8584","0.0017","90","","90","","90","","7927.4","1","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C76 H60 Br4 Cl6 Cu2 N4 O8 P4 -","- C76 H60 Br4 Cl6 Cu2 N4 O8 P4 -","- C304 H240 Br16 Cl24 Cu8 N16 O32 P16 -","4","1","","Xin, Xue-Lian; Chen, Min; Ai, Yu-Bo; Yang, Feng-Lei; Li, Xiu-Ling; Li, Fuyou","Aggregation-induced emissive copper(i) complexes for living cell imaging.","Inorganic chemistry","2014","53","6","2922","2931","10.1021/ic402685u","","","0.71073","MoKα","","0.1034","0.0536","","","0.1095","0.1362","","","","","","1.038","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337694","28.7479","0.0011","13.1009","0.0004","15.2495","0.0006","90","","90","","90","","5743.3","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H32 Cl6 Ga N2 P Si4 -","- C12 H32 Cl6 Ga N2 P Si4 -","- C96 H256 Cl48 Ga8 N16 P8 Si32 -","8","2","","Schulz, Axel; Villinger, Alexander; Westenkirchner, Andrea","The Reactivity of Silylated Amino(dichloro)phosphanes in the Presence of Silver Salts.","Inorganic chemistry","2014","53","6","3183","3193","10.1021/ic500054w","","","0.71073","MoKα","","0.0938","0.0496","","","0.0763","0.0893","","","","","","1.011","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337746","10.1942","0.0005","16.8268","0.0009","15.6678","0.0008","90","","90","","90","","2687.6","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tetrabutylammonium trichlorido-glycinato-nitrosyl-ruthenate(III)","","- C18 H40 Cl3 N3 O3 Ru -","- C18 H40 Cl3 N3 O3 Ru -","- C72 H160 Cl12 N12 O12 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0503","0.0321","","","0.0732","0.0844","","","","","","1.001","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337850","14.7496","0.0016","15.1195","0.0017","10.858","0.0012","90","","90","","90","","2421.4","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H22 Cl6 N W -","- C21 H22 Cl6 N W -","- C84 H88 Cl24 N4 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Tribenzylamine C-H Activation and Intermolecular Hydrogen Transfer Promoted by WCl6.","Inorganic chemistry","2014","53","7","3832","","10.1021/ic5001683","","","0.71073","MoKα","","0.0273","0.0263","","","0.0622","0.0627","","","","","","1.05","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337921","26.9579","0.0007","12.369","0.0003","11.8789","0.0002","90","","90","","90","","3960.93","0.16","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 I N3 U -","- C37 H46 I N3 U -","- C148 H184 I4 N12 U4 -","4","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","0.71073","MoKα","","0.0832","0.0398","","","0.0615","0.0676","","","","","","1.014","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337934","24.5651","0.0002","25.1254","0.0003","17.2009","0.0002","90","","90","","90","","10616.5","0.2","153","2","153","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C66 Ge N4 O40 V2 W10 -","- C66 Ge N4 O40 V2 W10 -","- C264 Ge4 N16 O160 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0712","","","","0.1773","","","","","","1.173","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337935","24.5272","0.0011","25.0227","0.0013","17.3856","0.0009","90","","90","","90","","10670.2","0.9","153","2","153","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 Ge N4 O40 V2 W10 -","- C67 Ge N4 O40 V2 W10 -","- C268 Ge4 N16 O160 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0819","","","","0.1876","","","","","","1.077","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337937","24.5529","0.0002","25.1124","0.0002","17.1651","0.0001","90","","90","","90","","10583.7","0.14","123","2","123","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C66 N4 O40 Si V2 W10 -","- C66 N4 O40 Si V2 W10 -","- C264 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0737","","","","0.1559","","","","","","1.192","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337938","24.6549","0.0002","25.1382","0.0002","17.2005","0.0001","90","","90","","90","","10660.5","0.14","153","2","153","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 N4 O40 Si V2 W10 -","- C67 N4 O40 Si V2 W10 -","- C268 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0486","","","","0.1323","","","","","","1.124","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4338102","16.546","0.002","13.631","0.002","18.377","0.003","90","","90","","90","","4144.7","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H43 Ag2 B2 F8 N11 -","- C32 H43 Ag2 B2 F8 N11 -","- C128 H172 Ag8 B8 F32 N44 -","4","1","","Ghorai, Debasish; Mani, Ganesan","Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand.","Inorganic chemistry","2014","53","8","4117","4129","10.1021/ic5000974","","","0.71073","MoKα","","0.0729","0.0419","","","0.0966","0.1113","","","","","","1","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338154","23.4","0.002","13.757","0.0013","18.4689","0.0017","90","","90","","90","","5945.4","0.9","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C61 H95 Cl Cu3 K N6 O4 -","- C61 H95 Cl Cu3 K N6 O4 -","- C244 H380 Cl4 Cu12 K4 N24 O16 -","4","1","","Di Francesco, Gianna N.; Gaillard, Aleth; Ghiviriga, Ion; Abboud, Khalil A.; Murray, Leslie J.","Modeling biological copper clusters: synthesis of a tricopper complex, and its chloride- and sulfide-bridged congeners.","Inorganic chemistry","2014","53","9","4647","4654","10.1021/ic500333p","","","0.71073","MoKα","","0.0424","0.03","","","0.062","0.0651","","","","","","0.971","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338176","31.6581","0.0004","15.6456","0.0002","18.729","0.0002","90","","90","","90","","9276.66","0.19","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C86 H84 Ag4 Cl4 N4 O16 P8 -","- C86 H84 Ag4 Cl4 N4 O16 P8 -","- C344 H336 Ag16 Cl16 N16 O64 P32 -","4","1","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.0468","0.0349","","","0.0778","0.0826","","","","","","1.023","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338178","31.4363","0.0008","15.7649","0.0004","18.7672","0.0005","90","","90","","90","","9300.8","0.4","120","2","120","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C84 H81 Ag3 Au Cl4 N3 O16 P8 -","- C84 H81 Ag3 Au Cl4 N3 O16 P8 -","- C336 H324 Ag12 Au4 Cl16 N12 O64 P32 -","4","1","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.056","0.0413","","","0.1066","0.1126","","","","","","1.028","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338364","24.6843","0.0004","25.0863","0.0005","17.2103","0.0003","90","","90","","90","","10657.3","0.3","123","2","123","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C66 H0 N4 O40 Si V2 W10 -","- C66 N4 O40 Si V2 W10 -","- C264 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0825","","","","0.2354","","","","","","1.053","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338365","24.6629","0.0004","25.0205","0.0006","17.1871","0.0004","90","","90","","90","","10605.8","0.4","153","2","153","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C67 H0 N4 O40 Si V2 W10 -","- C67 N4 O40 Si V2 W10 -","- C268 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0925","","","","0.259","","","","","","1.084","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338386","10.68","0.002","13.732","0.002","4.9114","0.001","90","","90","","90","","720.3","0.2","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H4 Li N O2 -","- C6 H4 Li N O2 -","- C24 H16 Li4 N4 O8 -","4","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0648","0.0628","","","0.1726","0.1748","","","","","","1.089","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338406","31.2959","0.0011","4.5131","0.0001","14.7136","0.0005","90","","90","","90","","2078.17","0.11","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H22 Cl2 N4 O2 -","- C21 H22 Cl2 N4 O2 -","- C84 H88 Cl8 N16 O8 -","4","1","","Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre","Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.","Inorganic chemistry","2014","53","11","5515","5526","10.1021/ic500194y","","","0.71073","MoKα","","0.1211","0.0746","","","0.1683","0.202","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338595","16.6898","0.0005","10.909","0.0004","11.6196","0.0004","90","","90","","90","","2115.57","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H32 Br2 Fe N2 P2 -","- C13 H32 Br2 Fe N2 P2 -","- C52 H128 Br8 Fe4 N8 P8 -","4","1","","Kornev, Alexander N.; Belina, Natalia V.; Sushev, Vyacheslav V.; Fukin, Georgy K.; Baranov, Evgenii V.; Kurskiy, Yuriy A.; Poddelskii, Andrei I.; Abakumov, Gleb A.; Lönnecke, Peter; Hey-Hawkins, Evamarie","The First Structurally Characterized Metal (κ^2^N,P)-Phosphinohydrazides: The Key to Understanding the Intramolecular Rearrangement R~2~P‒NR'‒NR'‒M → R'N=PR~2~‒NR'‒M. Metalloderivatives of Diisopropylphosphinohydrazines: Synthesis and Properties","Inorganic chemistry","2009","48","12","5574","5583","10.1021/ic900135b","","","0.71073","MoKα","","0.0434","0.0392","","","0.0959","0.098","","","","","","1.081","","","","has coordinates","209994","2020-10-21","18:00:00",""
"4338759","14.728","0.002","14.876","0.002","7.4484","0.0011","90","","90","","90","","1631.9","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 Cu N3 O8 -","- C15 H13 Cu N3 O8 -","- C60 H52 Cu4 N12 O32 -","4","1","","Sasmal, Ashok; Garribba, Eugenio; Rizzoli, Corrado; Mitra, Samiran","Reversible Switching of Electronic Ground State in a Pentacoordinated Cu(II) 1D Cationic Polymer and Structural Diversity.","Inorganic chemistry","2014","53","13","6665","6674","10.1021/ic500377w","","","0.71073","MoKα","","0.0258","0.0243","","","0.062","0.0631","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4338876","11.931","0.003","18.766","0.004","13.323","0.003","90","","90","","90","","2983","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H30 Ag2 N4 O9 S2 -","- C26 H30 Ag2 N4 O9 S2 -","- C104 H120 Ag8 N16 O36 S8 -","4","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Structural study of silver(I) sulfonate complexes with pyrazine derivatives.","Inorganic chemistry","2007","46","18","7299","7311","10.1021/ic070147s","","","0.71069","MoKα","","0.0547","0.0424","","","0.0744","0.0788","","","","","","0.911","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4339060","17.8255","0.0018","3.6689","0.0004","15.9805","0.0018","90","","90","","90","","1045.12","0.19","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H6 Cl3 Cu3 N6 -","- C3 H6 Cl3 Cu3 N6 -","- C12 H24 Cl12 Cu12 N24 -","4","1","","Zhang, Lei; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yin, Pei-Xiu; Yao, Yuan-Gen","New coordination motifs of melamine directed by N-H—X (X = Cl or Br) hydrogen bonds.","Inorganic chemistry","2007","46","15","5838","5840","10.1021/ic7005138","","","0.71073","MoKα","","0.0349","0.0285","","","0.0544","0.0569","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339153","18.775","0.0003","14.468","0.0002","10.8932","0.0002","90","","90","","90","","2958.99","0.08","198","2","198","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H19 F6 Ir N6 -","- C35 H19 F6 Ir N6 -","- C140 H76 F24 Ir4 N24 -","4","1","","Orselli, Enrico; Kottas, Gregg S.; Konradsson, Asgeir E.; Coppo, Paolo; Fröhlich, Roland; de Cola, Luisa; van Dijken, Addy; Büchel, Michael; Börner, Herbert","Blue-emitting iridium complexes with substituted 1,2,4-triazole ligands: synthesis, photophysics, and devices.","Inorganic chemistry","2007","46","26","11082","11093","10.1021/ic701110p","","","0.71073","MoKα","","0.0392","0.0288","","","0.0556","0.0582","","","","","","1.046","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339411","30.9945","0.0003","8.4549","0.0001","19.7835","0.0002","90","","90","","90","","5184.37","0.09","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H37 B F2 Fe K O6.5 -","- C23 H37 B F2 Fe K O6.5 -","- C184 H296 B8 F16 Fe8 K8 O52 -","8","2","","Boshra, Ramez; Venkatasubbaiah, Krishnan; Doshi, Ami; Lalancette, Roger A.; Kakalis, Lazaros; Jäkle, Frieder","Simultaneous fluoride binding to ferrocene-based heteronuclear bidentate Lewis acids.","Inorganic chemistry","2007","46","24","10174","10186","10.1021/ic7013754","","","1.54178","CuKα","","0.0307","0.0291","","","0.076","0.077","","","","","","1.03","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339813","19.761","0.006","22.503","0.007","36.588","0.011","90","","90","","90","","16270","9","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C78 H80 Cu2 F12 N8 O5 P2 S2 -","- C74 H70 Cu2 F12 N8 O4 P2 S2 -","- C592 H560 Cu16 F96 N64 O32 P16 S16 -","8","2","","Zhou, Lei; Powell, Douglas; Nicholas, Kenneth M.","Tripodal bis(imidazole) thioether copper(I) complexes: mimics of the Cu(M) site of copper hydroxylase enzymes.","Inorganic chemistry","2007","46","19","7789","7799","10.1021/ic700447k","","","0.71073","MoKα","","0.1243","0.0748","","","0.1693","0.1887","","","","","","1.008","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4340243","10.2098","0.001","23.903","0.002","13.1372","0.0013","90","","90","","90","","3206.1","0.5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H33 Au Cl N2 O4 P -","- C35 H33 Au Cl N2 O4 P -","- C140 H132 Au4 Cl4 N8 O16 P4 -","4","1","","Li, Qing-Shan; Wan, Chong-Qing; Zou, Ru-Yi; Xu, Feng-Bo; Song, Hai-Bin; Wan, Xiang-Jian; Zhang, Zheng-Zhi","Gold(I) eta2-arene complexes.","Inorganic chemistry","2006","45","5","1888","1890","10.1021/ic051869r","","","0.71073","MoKα","","0.0459","0.0317","","","0.0679","0.071","","","","","","0.955","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340284","16.4634","0.0009","8.8987","0.0004","14.9136","0.0008","90","","90","","90","","2184.89","0.19","102","2","102","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H28 Cl2 N4 W -","- C18 H28 Cl2 N4 W -","- C72 H112 Cl8 N16 W4 -","4","1","","Rische, Daniel; Baunemann, Arne; Winter, Manuela; Fischer, Roland A.","Mixed guanidinato/alkylimido/azido tungsten(VI) complexes: synthesis and structural characterization.","Inorganic chemistry","2006","45","1","269","277","10.1021/ic0512431","","","0.71073","MoKα","","0.0324","0.0277","","","0.0566","0.0576","","","","","","1.023","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340334","25.3411","0.0006","16.7869","0.0004","16.1527","0.0003","90","","90","","90","","6871.3","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H99 Fe4 Mo4 N17 O16 -","- C46 H99 Fe4 Mo4 N17 O16 -","- C184 H396 Fe16 Mo16 N68 O64 -","4","1","","Falkenhagen, Jan P.; Braun, Beatrice; Bill, Eckhard; Sattler, Dominik; Limberg, Christian","A Cubic Fe4Mo4 Oxo Framework and Its Reversible Four-Electron Redox Chemistry.","Inorganic chemistry","2014","53","14","7294","7308","10.1021/ic500584a","","","0.71073","MoKα","","0.0302","0.0247","","","0.054","0.0671","","","","","","1.03","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340345","6.7566","0.0014","23.183","0.005","17.755","0.004","90","","90","","90","","2781.1","1","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H29 N5 O9 Zn -","- C22 H14 N4 O6 Zn -","- C88 H56 N16 O24 Zn4 -","4","1","","Zhu, Yu; Wang, Yan-Mei; Zhao, Sheng-Yun; Liu, Pan; Wei, Chao; Wu, Yun-Long; Xia, Chang-Kun; Xie, Ji-Min","Three N-H Functionalized Metal-Organic Frameworks with Selective CO2 Uptake, Dye Capture, and Catalysis.","Inorganic chemistry","2014","53","14","7692","7699","10.1021/ic5009895","","","0.71073","MoKα","","0.1572","0.1015","","","0.2387","0.2797","","","","","","1.057","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340409","19.793","0.004","14.664","0.004","7.292","0.004","90","","90","","90","","2116.5","1.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- O23 Rb4 Te8 -","- O23 Rb4 Te8 -","- O92 Rb16 Te32 -","4","1","","Minimol, M. P.; Vidyasagar, K.","Syntheses and structural characterization of new mixed-valent tellurium oxides, a4[te5(6+)te(3)4+]o23 (a=rb and k).","Inorganic chemistry","2005","44","25","9369","9373","10.1021/ic0515599","","","0.71069","MoKα","","0.0701","0.039","","","0.0737","0.0839","","","","","","0.914","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340434","21.795","0.005","9.318","0.003","6.012","0.003","90","","90","","90","","1221","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 O4 Zn -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","1","","Wang, Yong-Tao; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming","A solvothermally in situ generated mixed-ligand approach for NLO-active metal-organic framework materials.","Inorganic chemistry","2005","44","12","4148","4150","10.1021/ic0504137","","","0.71073","MoKα","","0.0348","0.0321","","","0.078","0.0797","","","","","","1.028","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340452","19.624","0.002","11.6891","0.0014","16.0964","0.0017","90","","90","","90","","3692.3","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H50 Fe N6 -","- C42 H50 Fe N6 -","- C168 H200 Fe4 N24 -","4","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0914","0.0463","","","0.0722","0.0862","","","","","","0.996","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340506","20.2042","0.001","10.7563","0.0006","23.1759","0.0014","90","","90","","90","","5036.6","0.5","151","20","151","20","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H69 N5 Ni2 O9 -","- C46 H69 N5 Ni2 O9 -","- C184 H276 N20 Ni8 O36 -","4","1","","Walsh, James P. S.; Sproules, Stephen; Chilton, Nicholas F.; Barra, Anne-Laure; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","On the possibility of magneto-structural correlations: detailed studies of dinickel carboxylate complexes.","Inorganic chemistry","2014","53","16","8464","8472","10.1021/ic501036h","","","0.7107","MoKα","","0.0981","0.0569","","","0.098","0.1264","","","","","","1.039","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340553","8.7183","0.0005","40.122","0.003","9.5437","0.0006","90","","90","","90","","3338.3","0.4","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H39 Cl Cu2 N10 O17 -","- C20 H39 Cl Cu2 N10 O17 -","- C80 H156 Cl4 Cu8 N40 O68 -","4","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.","Inorganic chemistry","2014","53","16","8257","8269","10.1021/ic5005177","","","0.71073","MoKα","","0.0759","0.0488","","","0.0967","0.1089","","","","","","0.951","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340588","12.072","0.0003","9.3272","0.0003","17.8199","0.0005","90","","90","","90","","2006.48","0.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","4","","","- C21 H21 Cl2 Ge P -","- C21 H21 Cl2 Ge P -","- C84 H84 Cl8 Ge4 P4 -","4","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0169","0.0164","","","0.0434","0.0435","","","","","","1.067","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340603","14.753","0.002","17.857","0.003","11.2376","0.0015","90","","90","","90","","2960.5","0.8","125","","125","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H34 Cl4 P2 Pt -","- C31 H34 Cl4 P2 Pt -","- C124 H136 Cl16 P8 Pt4 -","4","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0578","","","","0.1253","","","","","","1.097","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340656","21.1268","0.0002","10.28491","0.00011","35.4103","0.0004","90","","90","","90","","7694.21","0.14","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C33 H42 B2 Cu2 F8 N6 O S2 -","- C33 H42 B2 Cu2 F8 N6 O S2 -","- C264 H336 B16 Cu16 F64 N48 O8 S16 -","8","2","","Ording-Wenker, Erica C M; van der Plas, Martijn; Siegler, Maxime A.; Bonnet, Sylvestre; Bickelhaupt, F. Matthias; Fonseca Guerra, Célia; Bouwman, Elisabeth","Thermodynamics of the Cu(II) μ-Thiolate and Cu(I) Disulfide Equilibrium: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","53","16","8494","8504","10.1021/ic501060w","","","1.54178","CuKα","","0.0511","0.0497","","","0.1281","0.1291","","","","","","1.086","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340792","17.098","0.004","14.182","0.002","9.9035","0.0019","90","","90","","90","","2401.4","0.8","123","2","123","10","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H31 Ge Mn N2 O4 -","- C22 H31 Ge Mn N2 O4 -","- C88 H124 Ge4 Mn4 N8 O16 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Conversion of a Monodentate Amidinate-Germylene Ligand into Chelating Imine-Germanate Ligands (on Mononuclear Manganese Complexes).","Inorganic chemistry","2014","53","16","8735","8741","10.1021/ic501418p","","","1.5418","CuKα","","0.1812","0.0923","","","0.1903","0.2904","","","","","","0.957","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340840","12.0145","0.0004","16.2594","0.0005","21.7469","0.0007","90","","90","","90","","4248.2","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (2,2'-dipyridylamine) copper hexafluorophosphate","","- C38 H46 Cl3 Cu F6 N5 P -","- C38 H46 Cl3 Cu F6 N5 P -","- C152 H184 Cl12 Cu4 F24 N20 P4 -","4","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.0517","0.0433","","","0.1192","0.1251","","","","","","1.041","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340863","9.9595","0.0004","9.4423","0.0003","4.8186","0.0002","90","","90","","90","","453.14","0.03","100","2","100.03","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F4 H2 Na O2 V -","- F4 H2 Na O2 V -","- F16 H8 Na4 O8 V4 -","4","1","","Donakowski, Martin D.; Gautier, Romain; Lu, Hongcheng; Tran, T. Thao; Cantwell, Jacqueline R.; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Syntheses of two vanadium oxide-fluoride materials that differ in phase matchability.","Inorganic chemistry","2015","54","3","765","772","10.1021/ic501486x","","","0.71073","MoKα","","0.0121","0.0117","","","0.0326","0.0329","","","","","","1.16","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340867","10.8381","0.0005","16.1616","0.0008","10.5484","0.0005","90","","90","","90","","1847.67","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 S2 Ti -","- C22 H16 N2 S2 Ti -","- C88 H64 N8 S8 Ti4 -","4","1","","Schallenberg, David; Neubauer, Antje; Erdmann, Elisa; Tänzler, Marco; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram W.","Dinuclear Ru/Ni, Ir/Ni, and Ir/Pt Complexes with Bridging Phenanthroline-5,6-dithiolate: Synthesis, Structure, and Electrochemical and Photophysical Behavior.","Inorganic chemistry","2014","53","17","8859","8873","10.1021/ic4031206","","","0.71073","MoKα","","0.0818","0.047","","","0.0859","0.0958","","","","","","0.97","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340958","17.005","0.0019","16.31","0.0018","9.3627","0.0011","90","","90","","90","","2596.8","0.5","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","eiswe15","","","- C22 H26 Mo N2 S4 -","- C22 H26 Mo N2 S4 -","- C88 H104 Mo4 N8 S16 -","4","1","","Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard","Light-driven hydrogen production from aqueous protons using molybdenum catalysts.","Inorganic chemistry","2014","53","18","9860","9869","10.1021/ic501440a","","","0.71073","MoKα","","0.0746","0.0421","","","0.0743","0.0841","","","","","","1.016","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340961","18.879","0.002","10.0575","0.0011","27.882","0.003","90","","90","","90","","5294.1","1","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","eiswe27","","","- C28 H22 Mo N2 S4 -","- C28 H22 Mo N2 S4 -","- C224 H176 Mo8 N16 S32 -","8","2","","Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard","Light-driven hydrogen production from aqueous protons using molybdenum catalysts.","Inorganic chemistry","2014","53","18","9860","9869","10.1021/ic501440a","","","0.71073","MoKα","","0.0735","0.0461","","","0.0942","0.1101","","","","","","1.023","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4341111","21.743","0.005","11.782","0.002","14.893","0.003","90","","90","","90","","3815.2","1.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","tetrakis(mu-thiobenzoato-1kS:2kO)(aqua-2kO)(chlorido-1kCl) nickelplatinum - tetrahydrofurane (1/2)","","- C36 H38 Cl Ni O7 Pt S4 -","- C36 H38 Cl Ni O7 Pt S4 -","- C144 H152 Cl4 Ni4 O28 Pt4 S16 -","4","1","","Gennari, Marcello; Givaja, Gonzalo; Castillo, Oscar; Hermosilla, Laura; Gómez-García, Carlos J; Duboc, Carole; Lledós, Agustí; Mas-Ballesté, Ruben; Zamora, Felix","On the Road to MM'X Polymers: Redox Properties of Heterometallic Ni···Pt Paddlewheel Complexes.","Inorganic chemistry","2014","53","19","10553","10562","10.1021/ic501659x","","","0.71073","MoKα","","0.1321","0.0554","","","0.1214","0.2183","","","","","","0.998","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341451","32.4726","0.0016","8.645","0.0004","13.5478","0.0007","90","","90","","90","","3803.2","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N6 Ni -","- C22 H18 N6 Ni -","- C176 H144 N48 Ni8 -","8","2","","Sengupta, Debabrata; Ghosh, Pradip; Chatterjee, Tanmay; Datta, Harashit; Paul, Nanda D.; Goswami, Sreebrata","Ligand-Centered Redox in Nickel(II) Complexes of 2-(Arylazo)pyridine and Isolation of 2-Pyridyl-Substituted Triaryl Hydrazines via Catalytic N-Arylation of Azo-Function.","Inorganic chemistry","2014","","","141105122752002","","10.1021/ic501656s","","","0.71073","MoKα","","0.0378","0.0357","","","0.0893","0.0905","","","","","","1.057","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341800","18.9253","0.0009","9.2861","0.0005","12.7839","0.0007","90","","90","","90","","2246.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H32 Cl2 N4 Pd -","- C22 H32 Cl2 N4 Pd -","- C88 H128 Cl8 N16 Pd4 -","4","1","","Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.","Inorganic chemistry","2014","","","141126065928000","","10.1021/ic5023054","","","0.71073","MoKα","","0.0514","0.0357","","","0.0617","0.0668","","","","","","0.988","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341855","26.673","0.007","9.769","0.003","10.315","0.003","90","","90","","90","","2687.8","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H21 Co2 F6 N O7 -","- C23 H21 Co2 F6 N O7 -","- C92 H84 Co8 F24 N4 O28 -","4","1","","Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles","Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.","Inorganic chemistry","2014","","","141204082337009","","10.1021/ic501898x","","","0.71073","MoKα","","0.1578","0.0856","","","0.1034","0.1209","","","","","","1.104","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341961","16.343","0.005","12.689","0.004","13.491","0.004","90","","90","","90","","2797.7","1.5","140","2","140","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H36 N12 -","- C28 H36 N12 -","- C112 H144 N48 -","4","1","","Wilson, Justin J.; Birnbaum, Eva R.; Batista, Enrique R.; Martin, Richard L.; John, Kevin D.","Synthesis and Characterization of Nitrogen-Rich Macrocyclic Ligands and an Investigation of Their Coordination Chemistry with Lanthanum(III).","Inorganic chemistry","2015","54","1","97","109","10.1021/ic501843c","","","0.71073","MoKα","","0.0413","0.0324","","","0.0693","0.0736","","","","","","1.033","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4342021","9.502","0.009","19.368","0.012","14.872","0.013","90","","90","","90","","2737","4","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H27 Cl4 N3 O2 Zn -","- C27 H27 Cl4 N3 O2 Zn -","- C108 H108 Cl16 N12 O8 Zn4 -","4","1","","Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei","Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.","Inorganic chemistry","2015","54","2","675","681","10.1021/ic502642q","","","0.71073","MoKα","","0.118","0.0613","","","0.1344","0.1572","","","","","","0.916","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342352","5.46004","0.00001","6.61013","0.00002","5.27417","0.00001","90","","90","","90","","190.353","0.0008","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cu Ga O2 -","- Cu Ga O2 -","- Cu4 Ga4 O8 -","4","1","","Nagatani, Hiraku; Suzuki, Issei; Kita, Masao; Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami; Miyoshi, Shogo; Yamaguchi, Shu; Omata, Takahisa","Structural and Thermal Properties of Ternary Narrow-Gap Oxide Semiconductor; Wurtzite-Derived β-CuGaO2.","Inorganic chemistry","2015","54","4","1698","1704","10.1021/ic502659e","powder diffraction","","0.65273","synchrotronradiation","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342361","7.0025","0.0003","9.506","0.0004","10.9003","0.0005","90","","90","","90","","725.59","0.05","350","2","350","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7 Cd N O6 -","- C3 H7 Cd N O6 -","- C12 H28 Cd4 N4 O24 -","4","1","","Gómez-Aguirre, L C; Pato-Doldán, B; Stroppa, A.; Yáñez-Vilar, S; Bayarjargal, L.; Winkler, B.; Castro-García, S; Mira, J.; Sánchez-Andújar, M; Señarís-Rodríguez, M A","Room-Temperature Polar Order in [NH4][Cd(HCOO)3] - A Hybrid Inorganic-Organic Compound with a Unique Perovskite Architecture.","Inorganic chemistry","2015","54","5","2109","","10.1021/ic502218n","","","0.71073","MoKα","","0.0409","0.0343","","","0.0824","0.087","","","","","","0.996","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342362","6.9888","0.0002","9.4902","0.0002","10.8342","0.0003","90","","90","","90","","718.58","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7 Cd N O6 -","- C3 H7 Cd N O6 -","- C12 H28 Cd4 N4 O24 -","4","1","","Gómez-Aguirre, L C; Pato-Doldán, B; Stroppa, A.; Yáñez-Vilar, S; Bayarjargal, L.; Winkler, B.; Castro-García, S; Mira, J.; Sánchez-Andújar, M; Señarís-Rodríguez, M A","Room-Temperature Polar Order in [NH4][Cd(HCOO)3] - A Hybrid Inorganic-Organic Compound with a Unique Perovskite Architecture.","Inorganic chemistry","2015","54","5","2109","","10.1021/ic502218n","","","0.71073","MoKα","","0.0174","0.0166","","","0.0367","0.0371","","","","","","1.088","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342363","6.9949","0.0001","9.5029","0.0002","10.8457","0.0002","90","","90","","90","","720.93","0.02","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7 Cd N O6 -","- C3 H7 Cd N O6 -","- C12 H28 Cd4 N4 O24 -","4","1","","Gómez-Aguirre, L C; Pato-Doldán, B; Stroppa, A.; Yáñez-Vilar, S; Bayarjargal, L.; Winkler, B.; Castro-García, S; Mira, J.; Sánchez-Andújar, M; Señarís-Rodríguez, M A","Room-Temperature Polar Order in [NH4][Cd(HCOO)3] - A Hybrid Inorganic-Organic Compound with a Unique Perovskite Architecture.","Inorganic chemistry","2015","54","5","2109","","10.1021/ic502218n","","","0.71073","MoKα","","0.0172","0.0162","","","0.0368","0.0374","","","","","","1.14","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342511","13.3546","0.0002","7.8871","0.0001","6.2806","0.0001","90","","90","","90","","661.53","0.017","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","Lithium Manganese Germanium Sulfide","","","- Ge Li2 Mn S4 -","- Ge Li2 Mn S4 -","- Ge4 Li8 Mn4 S16 -","4","1","","Brant, Jacilynn A.; Clark, Daniel J.; Kim, Yong Soo; Jang, Joon I.; Weiland, Ashley; Aitken, Jennifer A.","Outstanding Laser Damage Threshold in Li2MnGeS4 and Tunable Optical Nonlinearity in Diamond-Like Semiconductors.","Inorganic chemistry","2015","54","6","2809","2819","10.1021/ic502981r","","","0.71073","MoKα","","0.0109","0.0097","","","0.0252","0.0273","","","","","","0.826","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342923","13.7448","0.0011","18.5471","0.0013","12.5107","0.0009","90","","90","","90","","3189.3","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H43 Br2 Fe N2 P -","- C31 H43 Br2 Fe N2 P -","- C124 H172 Br8 Fe4 N8 P4 -","4","1","","Butschke, Burkhard; Fillman, Kathlyn L.; Bendikov, Tatyana; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Gorelsky, Serge I.; Neidig, Michael L.; Milstein, David","How Innocent are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study.","Inorganic chemistry","2015","54","10","4909","4926","10.1021/acs.inorgchem.5b00509","","","0.71073","MoKα","","0.0314","0.027","","","0.0576","0.0587","","","","","","1.057","","","","has coordinates","138115","2020-10-21","18:00:00",""
"4343437","14.6532","0.0009","19.839","0.0012","13.6696","0.0008","90","","90","","90","","3973.8","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H32 B F15 Lu N3 O2 -","- C39 H32 B F15 Lu N3 O2 -","- C156 H128 B4 F60 Lu4 N12 O8 -","4","1","","Lampland, Nicole L.; Zhu, Jing; Hovey, Megan; Jana, Barun; Ellern, Arkady; Sadow, Aaron D.","Piano-Stool Lutetium Amido and Imido Compounds Supported by a Constrained Bis(oxazoline)cyclopentadienyl Ligand.","Inorganic chemistry","2015","54","14","6938","6946","10.1021/acs.inorgchem.5b00927","","","0.71073","MoKα","","0.0364","0.0264","","","0.056","0.0594","","","","","","1.013","","","","has coordinates","154618","2020-10-21","18:00:00",""
"4343502","63.552","0.002","11.0817","0.0004","18.9917","0.0007","90","","90","","90","","13375.2","0.8","123","2","123","2","","","","","","","","8","P n a 21","P 2c -2n","33","CoVN2[K(crypt)]","","","- C61 H104 Co K N8 O7 P3 V -","- C61 H104 Co K N8 O7 P3 V -","- C488 H832 Co8 K8 N64 O56 P24 V8 -","8","2","","Clouston, Laura J.; Bernales, Varinia; Carlson, Rebecca K.; Gagliardi, Laura; Lu, Connie C.","Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation.","Inorganic chemistry","2015","54","19","9263","9270","10.1021/acs.inorgchem.5b00983","","","1.54178","CuKα","","0.0529","0.044","","","0.1054","0.1096","","","","","","1.01","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343524","19.094","0.0014","29.615","0.002","13.6657","0.001","90","","90","","90","","7727.5","1","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H29 B Cl2 F7 Ir N6 -","- C43 H29 B Cl2 F7 Ir N6 -","- C344 H232 B8 Cl16 F56 Ir8 N48 -","8","2","","Castor, Katherine J.; Metera, Kimberly L.; Tefashe, Ushula M.; Serpell, Christopher J.; Mauzeroll, Janine; Sleiman, Hanadi F.","Cyclometalated Iridium(III) Imidazole Phenanthroline Complexes as Luminescent and Electrochemiluminescent G-Quadruplex DNA Binders.","Inorganic chemistry","2015","54","14","6958","6967","10.1021/acs.inorgchem.5b00921","","","0.71073","MoKα","","0.0252","0.0219","","0.0535","0.0507","0.0535","","","","","","0.8782","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343530","18.784","0.006","15.153","0.005","17.125","0.006","90","","90","","90","","4874","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H78 Eu O3 Si8 -","- C30 H78 Eu O3 Si8 -","- C120 H312 Eu4 O12 Si32 -","4","1","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.0332","0.0322","","","0.08","0.0807","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343607","16.7748","0.0019","9.3516","0.0011","16.7511","0.0018","90","","90","","90","","2627.8","0.5","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H34 Si4 -","- C24 H34 Si4 -","- C96 H136 Si16 -","4","1","","Kysliak, Oleksandr; Schrenk, Claudio; Schnepf, Andreas","{Ge9[Si(SiMe3)2(SiPh3)]3}(-): Ligand Modification in Metalloid Germanium Cluster Chemistry.","Inorganic chemistry","2015","54","14","7083","7088","10.1021/acs.inorgchem.5b01130","","","0.71073","MoKα","","0.0905","0.0504","","","0.0912","0.1061","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343649","7.85","","9.2922","","6.148","","90","","90","","90","","448.458","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Na2 (Zn2 (O H)2) (Mo O4)2","","- H2 Mo2 Na2 O10 Zn2 -","- Mo2 Na2 O10 Zn2 -","- Mo4 Na4 O20 Zn4 -","2","0.5","","Clearfield, A.; Gopal, R.; Saldarriaga-Molina, C.H.","Studies in heavy-metal molybdates. 2. Crystal structure of disodium di-mue-hydroxo-dizinc molybdate","Inorganic Chemistry","1977","16","","628","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","144921","2020-10-21","18:00:00",""
"4343713","12.677","","11.415","","6.759","","90","","90","","90","","978.081","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(Cr (C O)4 (P H3)2)","","- C4 H6 Cr O4 P2 -","- C4 H6 Cr O4 P2 -","- C16 H24 Cr4 O16 P8 -","4","1","","Guggenberger, L.J.; Klabunde, U.; Schunn, R.A.","Group VI Metal Carbonyl Phosphine Complexes. Hydrogen-Deuterium Exchanqe and the Crystal Structure of Cis-Tetracarbonyldiphosphinechromium(0)","Inorganic Chemistry","1973","12","","1143","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343817","6.443","","7.693","","6.125","","90","","90","","90","","303.592","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Zn Cl2","","- Cl2 Zn -","- Cl2 Zn -","- Cl8 Zn4 -","4","1","","Brynestad, J.; Yakel, H.L.jr.","Preparation and structure of anhydrous zinc chloride","Inorganic Chemistry","1978","17","","1376","1377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343927","23.087","","20.75","","5.603","","90","","90","","90","","2684.15","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","(N (S O2 N (C H3)3)2) Cl (H2 O)","","- C6 H20 Cl N3 O5 S2 -","- C6 H20 Cl N3 O5 S2 -","- C48 H160 Cl8 N24 O40 S16 -","8","2","","Taraba, J.; Zak, Z.","Novel cation [N (S O2 N Me3)2]+ and its synthesis and crystal structure. Dichloride of imido-bis(sulfuric) acid H N (S O2 Cl)2. Part 1. Crystal structures of K N (S O2 Cl)2.(1/2) C H3 C N, K N (S O2 Cl)2.(1/6)C H2 Cl2, and [P Cl4] [N (S O2 Cl)2]","Inorganic Chemistry","2006","45","","3695","3700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344029","31.154","0.006","11.549","0.002","24.197","0.005","90","","90","","90","","8706","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H113 Dy4 N5 O27 -","- C80 H109 Dy4 N5 O27 -","- C320 H436 Dy16 N20 O108 -","4","1","","Yadav, Munendra; Mondal, Abhishake; Mereacre, Valeriu; Jana, Salil Kumar; Powell, Annie K.; Roesky, Peter W.","Tetranuclear and Pentanuclear Compounds of the Rare-Earth Metals: Synthesis and Magnetism.","Inorganic chemistry","2015","54","16","7846","7856","10.1021/acs.inorgchem.5b00899","","","0.71073","MoKα","","0.0791","0.0555","","","0.1282","0.1419","","","","","","0.979","","","","has coordinates,has disorder","160495","2020-10-21","18:00:00",""
"4344146","9.19","","7.0399","","5.107","","90","","90","","90","","330.406","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ba Al D5","","- Al Ba D5 -","- Al Ba -","- Al4 Ba4 -","4","1","","Zhang, Q.-A.; Nakamura, Y.; Oikawa, K.I.; Kamiyama, T.; Akiba, E.","New alkaline earth aluminium hydride with one-dimensional zigzag chains of (Al H6): synthesis and crystal structure of Ba Al H5","Inorganic Chemistry","2002","41","","6941","6943","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344227","17.938","","13.395","","21.448","","90","","90","","90","","5153.52","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Cs5 N H4 (W4 O8 (N C S)12) (H2 O)6","","- C12 Cs5 N13 O10 S12 W4 -","- C12 Cs5 N13 O10 S12 W4 -","- C48 Cs20 N52 O40 S48 W16 -","4","1","","Launay, J.P.; Jeannin, Y.P.; Nel, A.","Substitution Derivatives of the Mixed-Valence (W4 O8 Cl8 (H2 O)4)(2-)-Ion. Crystal and Molecular Structure of Cs5 N H4 (W4 O8 (N C S)12) (H2 O)6","Inorganic Chemistry","1983","22","","277","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","161191","2020-10-21","18:00:00",""
"4344466","20.4644","0.002","9.31815","0.00087","5.54812","0.0005","90","","90","","90","","1057.97","0.17","300","","300","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ca19.81 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","1","0.25","","Zhiguo Xia; Shihai Miao; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","Structure, crystallographic Sites and Tunable Luminescence Properties of Eu2+ and Ce3+/Li±activated Ca1.65Sr0.35SiO4 Phosphor","Inorganic Chemistry","2015","54","16","7684","7691","10.1021/acs.inorgchem.5b00455","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.75","1.256","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4344467","20.5411","0.0023","9.34901","0.00088","5.55337","0.00054","90","","90","","90","","1066.46","0.19","300","","300","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","1","0.25","","Zhiguo Xia; Shihai Miao; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","Structure, crystallographic Sites and Tunable Luminescence Properties of Eu2+ and Ce3+/Li±activated Ca1.65Sr0.35SiO4 Phosphor","Inorganic Chemistry","2015","54","16","7684","7691","10.1021/acs.inorgchem.5b00455","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.8","1.443","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4344722","22.408","0.0004","12.0454","0.0003","37.5938","0.0007","90","","90","","90","","10147.1","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H64 N8 O2 Ti -","- C47 H64 N8 O2 Ti -","- C376 H512 N64 O16 Ti8 -","8","2","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","0.71073","MoKα","","0.0681","0.0576","","","0.1664","0.1762","","","","","","1.072","","","","has coordinates","175591","2020-10-21","18:00:00",""
"4344767","20.3","0.002","10.7796","0.0007","14.2425","0.0008","90","","90","","90","","3116.6","0.4","173.73","0.1","173.73","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 K O8 -","- C33 H39 K O8 -","- C132 H156 K4 O32 -","4","1","","Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.","Inorganic chemistry","2015","55","1","136","","10.1021/acs.inorgchem.5b02709","","x-ray","0.71073","MoKα","","0.1374","0.0694","","","0.0964","0.1229","","","","","","1.005","","","","has coordinates","175626","2020-10-21","18:00:00",""
"4344817","23.3951","0.001","8.767","0.0004","36.04","0.0015","90","","90","","90","","7392","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H30 Eu N9 O12 -","- C33 H30 Eu N9 O12 -","- C264 H240 Eu8 N72 O96 -","8","2","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.0218","0.0213","","","0.0484","0.0486","","","","","","1.099","","","","has coordinates,has disorder","175652","2020-10-21","18:00:00",""
"4344819","23.473","0.008","8.794","0.003","36.244","0.012","90","","90","","90","","7482","4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H30 N9 O12 Sm -","- C33 H30 N9 O12 Sm -","- C264 H240 N72 O96 Sm8 -","8","2","","Daumann, Lena J.; Tatum, David S.; Andolina, Christopher M.; Pacold, Joseph I.; D'Aléo, Anthony; Law, Ga-Lai; Xu, Jide; Raymond, Kenneth N.","Effects of Ligand Geometry on the Photophysical Properties of Photoluminescent Eu(III) and Sm(III) 1-Hydroxypyridin-2-one Complexes in Aqueous Solution.","Inorganic chemistry","2016","55","1","114","124","10.1021/acs.inorgchem.5b01927","","","0.71073","MoKα","","0.025","0.0236","","","0.0542","0.0551","","","","","","0.996","","","","has coordinates,has disorder","175654","2020-10-21","18:00:00",""
"4344900","22.049","0.0011","9.3829","0.0003","11.5465","0.0005","90","","90","","90","","2388.78","0.18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H17 N3 O11 Pb U -","- C22 H17 N3 O11 Pb U -","- C88 H68 N12 O44 Pb4 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0365","0.029","","","0.062","0.0639","","","","","","1.024","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344927","17.4838","0.0006","13.9373","0.0005","17.5812","0.0007","90","","90","","90","","4284.1","0.3","180.01","0.1","180.01","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","1","","","- C28 H48 Co K2 N4 O12 S4 -","- C28 H48 Co K2 N4 O12 S4 -","- C112 H192 Co4 K8 N16 O48 S16 -","4","1","","Zhu, Yuan-Yuan; Liu, Fang; Liu, Jia-Jia; Meng, Yin-Shan; Jiang, Shang-Da; Barra, Anne-Laure; Wernsdorfer, Wolfgang; Gao, Song","Slow Magnetic Relaxation in Weak Easy-Plane Anisotropy: the Case of a Combined Magnetic and HFEPR Study.","Inorganic chemistry","2017","56","2","697","700","10.1021/acs.inorgchem.6b01972","","","0.71073","MoKα","","0.0356","0.0287","","","0.0597","0.0637","","","","","","1.04","","","","has coordinates","191333","2020-10-21","18:00:00",""
"4345021","12.582","0.004","12.239","0.004","9.776","0.003","90","","90","","90","","1505.4","0.8","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- O17 Sr2 U -","- O17 Sr2 U -","- O68 Sr8 U4 -","4","1","","Dembowski, Mateusz; Bernales, Varinia; Qiu, Jie; Hickam, Sarah; Gaspar, Gabriel; Gagliardi, Laura; Burns, Peter C.","Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes.","Inorganic chemistry","2017","56","3","1574","1580","10.1021/acs.inorgchem.6b02666","","","0.71073","MoKα","","0.044","0.0348","","","0.0803","0.0853","","","","","","1.039","","","","has coordinates","193442","2020-10-21","18:00:00",""
"4345200","14.7986","0.0009","13.1965","0.0008","11.7993","0.0007","90","","90","","90","","2304.3","0.2","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","N-(2,5-Dihydroxybenzyl)-N,N?-bis(2-pyridinylmethyl)-1,2- ethanediamine trifluoroacetate","","","- C23 H25 F3 N4 O4 -","- C23 H25 F3 N4 O4 -","- C92 H100 F12 N16 O16 -","4","1","","Yu, Meng; Ward, Meghan B.; Franke, Alicja; Ambrose, Stephen L.; Whaley, Zachary L.; Bradford, Thomas Miller; Gorden, John D.; Beyers, Ronald J.; Cattley, Russell C.; Ivanović-Burmazović, Ivana; Schwartz, Dean D.; Goldsmith, Christian R.","Adding a Second Quinol to a Redox-Responsive MRI Contrast Agent Improves Its Relaxivity Response to H2O2.","Inorganic chemistry","2017","56","5","2812","2826","10.1021/acs.inorgchem.6b02964","","","0.71073","MoKα","","0.0813","0.0496","","","0.1148","0.1231","","","","","","0.936","","","","has coordinates,has disorder","194794","2020-10-21","18:00:00",""
"4345305","19.52","0.007","14.47","0.005","7.4736","0.0018","90","","90","","90","","2111","1.2","80","2","80","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H29 Cl O4 Ti2 -","- C21 H29 Cl O4 Ti2 -","- C84 H116 Cl4 O16 Ti8 -","4","1","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0888","0.0568","","","0.0912","0.1028","","","","","","1.007","","","","has coordinates","192790","2020-10-21","18:00:00",""
"4345489","29.341","0.006","14.916","0.003","17.883","0.004","90","","90","","90","","7827","3","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H76 N2 O18 P2 Pt9 -","- C64 H76 N2 O18 P2 Pt9 -","- C256 H304 N8 O72 P8 Pt36 -","4","1","","Cesari, Cristiana; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Mancini, Federica; Zacchini, Stefano","Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).","Inorganic chemistry","2017","56","3","1655","1668","10.1021/acs.inorgchem.6b02750","","","0.71073","MoKα","","0.0644","0.0392","","","0.0765","0.085","","","","","","1.025","","","","has coordinates","193006","2020-10-21","18:00:00",""
"4345514","15.7873","0.0005","7.273","0.0002","17.5934","0.0005","90","","90","","90","","2020.09","0.1","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","bis(4-phenanthridinyl)amine","","","- C28 H21 N3 -","- C28 H21 N3 -","- C112 H84 N12 -","4","1","","Mandapati, Pavan; Giesbrecht, Patrick K.; Davis, Rebecca L.; Herbert, David E.","Phenanthridine-Containing Pincer-like Amido Complexes of Nickel, Palladium, and Platinum.","Inorganic chemistry","2017","56","6","3674","3685","10.1021/acs.inorgchem.7b00075","","","0.71073","MoKα","","0.0504","0.0404","","","0.0919","0.0996","","","","","","1.053","","","","has coordinates","194804","2020-10-21","18:00:00",""
"4345654","19.9852","0.0008","20.8204","0.0009","10.3313","0.0004","90","","90","","90","","4298.9","0.3","296.15","","296.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C148 H192 Br12 F12 Fe4 N28 O16 S4 -","- C148 H192 Br12 F12 Fe4 N28 O16 S4 -","- C148 H192 Br12 F12 Fe4 N28 O16 S4 -","1","0.25","","Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.","Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.","Inorganic chemistry","2017","56","9","4852","4863","10.1021/acs.inorgchem.6b03071","","x-ray","0.71073","MoKα","","0.0541","0.0394","","","0.0916","0.1021","","","","","","1.085","","","","has coordinates,has disorder","196127","2020-10-21","18:00:00",""
"4345668","22.675","0.005","11.418","0.002","17.749","0.004","90","","90","","90","","4595.3","1.7","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H74 O4 Si7 Yb -","- C30 H74 O4 Si7 Yb -","- C120 H296 O16 Si28 Yb4 -","4","1","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.0421","0.0368","","","0.0756","0.0776","","","","","","1.033","","","","has coordinates","195383","2020-10-21","18:00:00",""
"4345768","24.0267","0.0009","17.1784","0.0004","20.7235","0.0006","90","","90","","90","","8553.4","0.5","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C72 H62 Cl2 Gd2 Mn4 N14 O30 -","- C72 H62 Cl2 Gd2 Mn4 N14 O30 -","- C288 H248 Cl8 Gd8 Mn16 N56 O120 -","4","1","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.0516","0.046","","","0.1227","0.1284","","","","","","0.871","","","","has coordinates","197398","2020-10-21","18:00:00",""
"4345832","22.765","0.006","19.288","0.006","7.634","0.002","90","","90","","90","","3352","1.6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H25 Cl5 F6 N5 P Ru -","- C28 H25 Cl5 F6 N5 P Ru -","- C112 H100 Cl20 F24 N20 P4 Ru4 -","4","1","","Roy, Suman K.; Sengupta, Debabrata; Rath, Santi Prasad; Saha, Tanushri; Samanta, Subhas; Goswami, Sreebrata","Role of Mediator and Effects of Temperature on ortho-C-N Bond Fusion Reactions of Aniline Using Ruthenium Templates: Isolation and Characterization of New Ruthenium Complexes of the in-Situ-Generated Ligands.","Inorganic chemistry","2017","56","9","4966","4977","10.1021/acs.inorgchem.6b03163","","","0.71073","MoKα","","0.0465","0.0397","","","0.117","0.125","","","","","","0.952","","","","has coordinates","195998","2020-10-21","18:00:00",""
"4346040","17.3399","0.0003","9.1771","0.0002","22.6692","0.0004","90","","90","","90","","3607.35","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H32 Ge N2 O11 Ru3 -","- C30 H32 Ge N2 O11 Ru3 -","- C120 H128 Ge4 N8 O44 Ru12 -","4","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Amidinatogermylene derivatives of ruthenium carbonyl: new insights into the reactivity of [Ru3(CO)12] with two-electron-donor reagents of high basicity.","Inorganic chemistry","2015","54","6","2983","2994","10.1021/acs.inorgchem.5b00084","","","0.71073","MoKα","","0.0299","0.0261","","","0.0414","0.0429","","","","","","1.005","","","","has coordinates","231590","2020-10-21","18:00:00",""
"4346177","23.876","0.005","22.519","0.004","8.271","0.0018","90","","90","","90","","4447","1.6","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H42 N6 O4 S -","- C46 H42 N6 O4 S -","- C184 H168 N24 O16 S4 -","4","1","","Aich, Krishnendu; Goswami, Shyamaprosad; Das, Sangita; Mukhopadhyay, Chitrangada Das; Quah, Ching Kheng; Fun, Hoong-Kun","Cd(2+) Triggered the FRET ""ON"": A New Molecular Switch for the Ratiometric Detection of Cd(2+) with Live-Cell Imaging and Bound X-ray Structure.","Inorganic chemistry","2015","54","15","7309","7315","10.1021/acs.inorgchem.5b00784","","","0.71073","MoKα","","0.1263","0.0703","","","0.1721","0.2026","","","","","","1.068","","","","has coordinates","231644","2020-10-21","18:00:00",""
"4346198","24.2453","0.0016","15.649","0.002","20.561","0.003","90","","90","","90","","7801.1","1.6","200","2","200.01","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H43 B2 F42 N9 Zn -","- C62 H43 B2 F42 N9 Zn -","- C248 H172 B8 F168 N36 Zn4 -","4","1","","Kulkarni, Naveen V.; Das, Animesh; Jayaratna, Naleen B.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Zinc-Mediated Carbene Insertion to C-Cl Bonds of Chloromethanes and Isolable Zinc(II) Isocyanide Adducts.","Inorganic chemistry","2015","54","11","5151","5153","10.1021/acs.inorgchem.5b00929","","","0.71073","MoKα","","0.0981","0.0726","","","0.1942","0.2125","","","","","","1.06","","","","has coordinates,has disorder","231654","2020-10-21","18:00:00",""
"4346368","22.001","0.002","15.2676","0.0017","27.462","0.003","90","","90","","90","","9224.6","1.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H54 I P3 Se6 U -","- C24 H54 I P3 Se6 U -","- C192 H432 I8 P24 Se48 U8 -","8","2","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0281","0.0241","","","0.0551","0.056","","","","","","1.053","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4346375","20.535","0.006","11.714","0.003","5.5719","0.0013","90","","90","","90","","1340.3","0.6","195","","195","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H12 N2 O2 Pt -","- C17 H12 N2 O2 Pt -","- C68 H48 N8 O8 Pt4 -","4","1","","Ebina, Masanori; Kobayashi, Atsushi; Ogawa, Tomohiro; Yoshida, Masaki; Kato, Masako","Impact of a carboxyl group on a cyclometalated ligand: hydrogen-bond- and coordination-driven self-assembly of a luminescent platinum(II) complex.","Inorganic chemistry","2015","54","18","8878","8880","10.1021/acs.inorgchem.5b01343","","","0.71075","MoKα","","0.0295","0.0222","","","0.0328","0.0349","","","","","","1.014","","","","has coordinates","231749","2020-10-21","18:00:00",""
"4346520","18.0266","0.0014","32.407","0.002","13.27","0.001","90","","90","","90","","7752.2","1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H84 B11 Cl11 F2 N4 -","- C67 H84 B11 Cl11 F2 N4 -","- C268 H336 B44 Cl44 F8 N16 -","4","1","","Osman, Khalid M.; Powell, Douglas R.; Wehmschulte, Rudolf J.","Synthesis and reactivity of indium(I) 1-carba-closo-undecachlorododecaborate.","Inorganic chemistry","2015","54","18","9195","9200","10.1021/acs.inorgchem.5b01629","","","0.71073","MoKα","","0.076","0.045","","","0.084","0.095","","","","","","0.99","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4346626","19.024","0.004","18.708","0.004","14.086","0.003","90","","90","","90","","5013.2","1.8","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H78 N4 O Si -","- C55 H78 N4 O Si -","- C220 H312 N16 O4 Si4 -","4","1","","Seow, Celestine; Yim, Wai-Leung; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Synthesis of an N-Heterocyclic-Carbene-Stabilized Siladiimide.","Inorganic chemistry","2016","55","1","4","6","10.1021/acs.inorgchem.5b01818","","","0.71073","","","0.147","0.0516","","","0.0803","0.0993","","","","","","0.809","","","","has coordinates","231889","2020-10-21","18:00:00",""
"4346717","14.503","0.003","7.4837","0.0014","11.782","0.002","90","","90","","90","","1278.8","0.4","104","2","104","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl4 N2 Ta -","- C6 H16 Cl4 N2 Ta -","- C24 H64 Cl16 N8 Ta4 -","4","1","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0573","0.0389","","","0.1078","0.1211","","","","","","0.822","","","","has coordinates","231935","2020-10-21","18:00:00",""
"4346785","18.5722","0.0006","11.27","0.0005","17.4935","0.0006","90","","90","","90","","3661.5","0.2","213","2","213","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H58 N4 -","- C40 H58 N4 -","- C160 H232 N16 -","4","1","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.049","0.042","","","0.1188","0.1294","","","","","","1.065","","","","has coordinates","231981","2020-10-21","18:00:00",""
"4347361","17.8713","0.0014","9.5072","0.0007","14.8172","0.0011","90","","90","","90","","2517.5","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H38 B8 Ir2 -","- C20 H38 B8 Ir2 -","- C80 H152 B32 Ir8 -","4","1","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0462","0.038","","","0.0758","0.0792","","","","","","1.016","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347555","21.11","0.0001","9.056","0.0002","15.313","0.0002","90","","90","","90","","2927.42","0.08","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Compound X","","","- C24 H20 I4 O2 S2 Sn -","- C24 H20 I4 O2 S2 Sn -","- C96 H80 I16 O8 S8 Sn4 -","4","1","","Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad","Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.","Inorganic chemistry","2016","55","12","5935","5945","10.1021/acs.inorgchem.6b00336","","","0.71073","MoKα","","0.0372","0.0366","","","0.0963","0.0971","","","","97.481","97.481","1.065","","","","has coordinates","232379","2020-10-21","18:00:00",""
"4347790","12.9789","0.0014","15.359","0.002","18.263","0.002","90","","90","","90","","3640.6","0.7","100","2","100","2","","","","","","","thf, diethylether","7","P n a 21","P 2c -2n","33","","","","- C36 H49 Cl3 N2 O P Re -","- C36 H49 Cl3 N2 O P Re -","- C144 H196 Cl12 N8 O4 P4 Re4 -","4","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0601","0.0365","","","0.0734","0.0827","","","","","","1.02","","","","has coordinates,has disorder","232503","2020-10-21","18:00:00",""
"4347834","15.0296","0.0008","8.6155","0.0004","13.6508","0.0007","90","","90","","90","","1767.61","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H22 Cl4 N3 Ta -","- C11 H22 Cl4 N3 Ta -","- C44 H88 Cl16 N12 Ta4 -","4","1","","Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.","Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.","Inorganic chemistry","2016","55","11","5101","5103","10.1021/acs.inorgchem.6b00677","","x-ray","0.71073","MoKα","","0.013","0.0127","","","0.0308","0.031","","","","","","1.126","","","","has coordinates","232533","2020-10-21","18:00:00",""
"4347955","11.7508","0.0005","18.8073","0.001","10.7623","0.0004","90","","90","","90","","2378.48","0.18","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H16 F6 N4 O8 S2 U -","- C16 H16 F6 N4 O8 S2 U -","- C64 H64 F24 N16 O32 S8 U4 -","4","1","","Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W.","Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle.","Inorganic chemistry","2016","55","11","5693","5701","10.1021/acs.inorgchem.6b00799","","","0.71073","MoKα","","0.0452","0.0341","","","0.0759","0.0786","","","","","","0.93","","","","has coordinates","232592","2020-10-21","18:00:00",""
"4347968","13.62","0.003","9.7851","0.0019","13.282","0.003","90","","90","","90","","1770.1","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H16 Cu N10 O6 -","- C12 H16 Cu N10 O6 -","- C48 H64 Cu4 N40 O24 -","4","1","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.0234","0.0224","","","0.057","0.0583","","","","","","1.001","","","","has coordinates","232597","2020-10-21","18:00:00",""
"4348077","17.244","0.005","10.274","0.003","27.349","0.007","90","","90","","90","","4845","2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H50 Cu3 N10 O18 -","- C39 H50 Cu3 N10 O18 -","- C156 H200 Cu12 N40 O72 -","4","1","","Esteves, Catarina V.; Mateus, Pedro; André, Vânia; Bandeira, Nuno A. G.; Calhorda, Maria José; Ferreira, Liliana P.; Delgado, Rita","Di- versus Trinuclear Copper(II) Cryptate for the Uptake of Dicarboxylate Anions.","Inorganic chemistry","2016","55","14","7051","7060","10.1021/acs.inorgchem.6b00945","","","0.71073","MoKα","","0.0886","0.0537","","","0.1071","0.1195","","","","","","1.024","","","","has coordinates","232729","2020-10-21","18:00:00",""
"4348190","19.497","0.004","10.517","0.002","18.232","0.004","90","","90","","90","","3738.5","1.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H24 Cl11 N2 P Pd -","- C30 H24 Cl11 N2 P Pd -","- C120 H96 Cl44 N8 P4 Pd4 -","4","1","","Frik, Malgorzata; Jiménez, Josefina; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Gascón, Elena; Benoit, Farrah; Sanaú, Mercedes; Casini, Angela; Contel, María","Luminescent iminophosphorane gold, palladium and platinum complexes as potential anticancer agents.","Inorganic chemistry frontiers","2014","1","3","231","241","10.1039/C4QI00003J","","","0.71073","MoKα","","0.0605","0.0483","","","0.1242","0.1343","","","","","","1.06","","","","has coordinates","232811","2020-10-21","18:00:00",""
"4348309","23.862","0.0006","8.593","0.0001","19.0584","0.0005","90","","90","","90","","3907.85","0.15","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C40 H29 Cl3 Co N5 O7 P -","- C40 H29 Cl3 Co N5 O7 P -","- C160 H116 Cl12 Co4 N20 O28 P4 -","4","1","","Feng, Juan; Li, Hongmiao; Yang, Qiuli; Wei, Shi-Chao; Zhang, Jianyong; Su, Cheng-Yong","A two-dimensional flexible porous coordination polymer based on Co(ii) and terpyridyl phosphine oxide","Inorganic Chemistry Frontiers","2015","2","4","388","","10.1039/C4QI00138A","","","1.54178","CuKα","","0.0812","0.0611","","","0.1472","0.1588","","","","","","1.027","","","","has coordinates","232870","2020-10-21","18:00:00",""
"4348336","14.646","0.003","17.632","0.004","5.372","0.0011","90","","90","","90","","1387.3","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Lead(II) acetate hemihydrate","'Lead(II) acetate hemihydrate'","","- C8 H14 O9 Pb2 -","- C8 H14 O9 Pb2 -","- C32 H56 O36 Pb8 -","4","1","","Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk","Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence.","Inorganic chemistry","2016","55","17","8576","8586","10.1021/acs.inorgchem.6b01116","","","0.8","synchrotron","","0.0386","0.0319","","","0.081","0.086","","","","","","1.072","","","","has coordinates","232880","2020-10-21","18:00:00",""
"4348472","14.4802","0.0015","30.199","0.003","27.641","0.003","90","","90","","90","","12087","2","148","2","148.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C28 H50 N Na Ni O13 Pt S5 -","- C28 H50 N Na Ni O13 Pt S5 -","- C336 H600 N12 Na12 Ni12 O156 Pt12 S60 -","12","3","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","","0.71073","MoKα","","0.0689","0.0489","","","0.1244","0.1508","","","","","","1.126","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348473","14.5504","0.0012","30.376","0.003","27.77","0.002","90","","90","","90","","12273.9","1.8","148","2","148.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C28 H49.83 N Na O13 Pt S5 Zn -","- C28 H49.8367 N Na O13 Pt S5 Zn -","- C336 H598.04 N12 Na12 O156 Pt12 S60 Zn12 -","12","3","","Guillet, Jesse L.; Bhowmick, Indrani; Shores, Matthew P.; Daley, Christopher J. A.; Gembicky, Milan; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Thiocyanate-Ligated Heterobimetallic {PtM} Lantern Complexes Including a Ferromagnetically Coupled 1D Coordination Polymer.","Inorganic chemistry","2016","55","16","8099","8109","10.1021/acs.inorgchem.6b01182","","","0.71073","MoKα","","0.0395","0.0325","","","0.0705","0.0741","","","","","","1.056","","","","has coordinates,has disorder","232975","2020-10-21","18:00:00",""
"4348666","19.664","0.0011","18.895","0.001","14.6049","0.0008","90","","90","","90","","5426.5","0.5","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H80 Cl N3 P Rh Si2 -","- C58 H80 Cl N3 P Rh Si2 -","- C232 H320 Cl4 N12 P4 Rh4 Si8 -","4","1","","Troadec, Thibault; Prades, Amparo; Rodriguez, Ricardo; Mirgalet, Raphael; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Silacyclopropylideneplatinum(0) Complex as a Robust and Efficient Hydrosilylation Catalyst.","Inorganic chemistry","2016","55","16","8234","8240","10.1021/acs.inorgchem.6b01505","","","0.71073","MoKα","","0.1324","0.0533","","","0.0773","0.0955","","","","","","0.998","","","","has coordinates,has disorder","233244","2020-10-21","18:00:00",""
"4348858","31.969","0.008","10.512","0.003","29.754","0.008","90","","90","","90","","9999","5","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C106 H152 K2 N6 O8 -","- C106 H146 K2 N6 O8 -","- C424 H584 K8 N24 O32 -","4","1","","Zhong, Fei; Yang, Xiaodong; Shen, Lingyi; Zhao, Yanxia; Ma, Hongwei; Wu, Biao; Yang, Xiao-Juan","Multinuclear Alkali Metal Complexes of a Triphenylene-Based Hexamine and the Transmetalation to Tris(N-heterocyclic tetrylenes) (Ge, Sn, Pb).","Inorganic chemistry","2016","55","17","9112","9120","10.1021/acs.inorgchem.6b01743","","","0.71073","MoKα","","0.1464","0.0945","","","0.1944","0.2182","","","","","","1.146","","","","has coordinates","233432","2020-10-21","18:00:00",""
"4348957","7.1291","0.0002","16.0748","0.0006","11.0375","0.0004","90","","90","","90","","1264.88","0.07","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","Poly{[dimethylformamide(mu4-5-cyanoisophthalato-k2O,O':kO':kO'':kO''') cadmium(II)]}","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C48 H40 Cd4 N8 O20 -","4","1","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.0217","0.0194","","","0.0422","0.0428","","","","","","1.08","","","","has coordinates","233509","2020-10-21","18:00:00",""
"4348993","21.957","0.004","8.1318","0.0013","29.799","0.005","90","","90","","90","","5320.6","1.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H37 Cl N2 O2 Ru -","- C29 H37 Cl N2 O2 Ru -","- C232 H296 Cl8 N16 O16 Ru8 -","8","2","","Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.","Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.","Inorganic chemistry","2016","55","22","11770","11781","10.1021/acs.inorgchem.6b01861","","","0.71073","MoKα","","0.0676","0.0468","","","0.0806","0.0891","","","","","","1.108","","","","has coordinates","233533","2020-10-21","18:00:00",""
"4349145","17.3948","0.0003","16.304","0.0004","6.1603","0.0001","90","","90","","90","","1747.09","0.06","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H20 K O P S -","- C17 H20 K O P S -","- C68 H80 K4 O4 P4 S4 -","4","1","","Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.","Inorganic chemistry","2016","55","20","10741","10750","10.1021/acs.inorgchem.6b01973","","","0.71073","MoKα","","0.0271","0.0258","","","0.0546","0.0553","","","","","","1.064","","","","has coordinates","233623","2020-10-21","18:00:00",""
"4349163","13.6382","0.0009","29.853","0.002","10.644","0.0007","90","","90","","90","","4333.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H40 Cl2 Cu2 N10 O11 -","- C39 H40 Cl2 Cu2 N10 O11 -","- C156 H160 Cl8 Cu8 N40 O44 -","4","1","","McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei","Synthesis and Characterization of Copper Complexes with Cu<sup>I</sup>Cu<sup>I</sup>, Cu<sup>1.5</sup>Cu<sup>1.5</sup>m and Cu<sup>II</sup>Cu<sup>II</sup> Core Structures Supported by a Flexible Dipyridylamide Ligand.","Inorganic chemistry","2016","55","21","11462","11472","10.1021/acs.inorgchem.6b02006","","","0.71073","MoKα","","0.0432","0.0381","","","0.0968","0.0998","","","","","","0.989","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4349250","19.0495","0.0007","20.7536","0.0008","24.2348","0.0008","90","","90","","90","","9581.1","0.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C114 H90 Bi N9 P6 -","- C114 H90 Bi N9 P6 -","- C456 H360 Bi4 N36 P24 -","4","1","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0939","0.0489","","","0.0887","0.1037","","","","","","1.008","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349253","12.1405","0.0004","18.8977","0.0007","13.1677","0.0005","90","","90","","90","","3021.03","0.19","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H32 F6 N4 O4 Ru -","- C32 H18 F6 N4 O4 Ru -","- C128 H72 F24 N16 O16 Ru4 -","4","1","","Shaffer, David W.; Xie, Yan; Szalda, David J.; Concepcion, Javier J.","Manipulating the Rate-Limiting Step in Water Oxidation Catalysis by Ruthenium Bipyridine-Dicarboxylate Complexes.","Inorganic chemistry","2016","55","22","12024","12035","10.1021/acs.inorgchem.6b02193","","","0.71073","MoKα","","0.0544","0.041","","","0.105","0.1094","","","","","","1.074","","","","has coordinates","233767","2020-10-21","18:00:00",""
"4349339","24.472","0.004","14.682","0.002","39.942","0.006","90","","90","","90","","14351","4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C80 H104 Mg2 N10 -","- C80 H104 Mg2 N10 -","- C640 H832 Mg16 N80 -","8","2","","Dhamija, Avinash; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in the Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies.","Inorganic chemistry","2016","55","24","13014","13026","10.1021/acs.inorgchem.6b02544","","","0.71073","MoKα","","0.2108","0.0838","","","0.1299","0.1811","","","","","","0.987","","","","has coordinates","233871","2020-10-21","18:00:00",""
"4349495","17.232","0.003","16.286","0.003","16.384","0.003","90","","90","","90","","4598","1.4","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H48 Br2 Mg2 N10 -","- C52 H48 Br2 Mg2 N10 -","- C208 H192 Br8 Mg8 N40 -","4","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.0492","0.0453","","","0.1007","0.1073","","","","","","1.08","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349500","20.8935","0.0007","16.0332","0.0006","28.1694","0.001","90","","90","","90","","9436.5","0.6","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H35 Co4 N14 O24 -","- C54 H35 Co4 N14 O24 -","- C216 H140 Co16 N56 O96 -","4","1","","Liu, Xiao-Ting; Jia, Yan-Yuan; Zhang, Ying-Hui; Ren, Guo-Jian; Feng, Rui; Zhang, Shi-Yu; Zaworotko, Michael J.; Bu, Xian-He","A new Co(ii) metal‒organic framework with enhanced CO2 adsorption and separation performance","Inorganic Chemistry Frontiers","2016","3","12","1510","","10.1039/C6QI00191B","","","1.54184","CuKα","","0.1154","0.0877","","","0.2256","0.2467","","","","","","0.988","","","","has coordinates","234826","2020-10-21","18:00:00",""
"4349663","14.4508","0.0003","8.3986","0.0002","6.8032","0.0001","90","","90","","90","","825.68","0.03","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","Lithium cadmium tin selenide (2/1/1/4)","Lithium cadmium tin selenide (2/1/1/4)","","- Cd Li2 Se4 Sn -","- Cd Li2 Se4 Sn -","- Cd4 Li8 Se16 Sn4 -","4","1","","Zhang, Jian-Han; Clark, Daniel J.; Weiland, Ashley; Stoyko, Stanislav S.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.","Li2CdGeSe4and Li2CdSnSe4: biaxial nonlinear optical materials with strong infrared second-order responses and laser-induced damage thresholds influenced by photoluminescence","Inorganic Chemistry Frontiers","2017","4","9","1472","","10.1039/C7QI00004A","","","0.71073","MoKα","","0.0437","0.0384","","","0.0977","0.1023","","","","","","1.163","","","","has coordinates","235726","2020-10-21","18:00:00",""
"4349688","22.814","0.005","10.271","0.002","14.863","0.003","90","","90","","90","","3482.7","1.2","200","2","200","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C39 H40 Fe N O4 P Pd S -","- C39 H40 Fe N O4 P Pd S -","- C156 H160 Fe4 N4 O16 P4 Pd4 S4 -","4","1","","Feyrer, Alexander; Breher, Frank","Palladium complexes of ferrocene-based phosphine ligands as redox-switchable catalysts in Buchwald‒Hartwig cross-coupling reactions","Inorganic Chemistry Frontiers","2017","4","7","1125","","10.1039/C7QI00125H","","","0.71073","MoKα","","0.0601","0.0448","","","0.0883","0.1028","","","","","","1.114","","","","has coordinates","235743","2020-10-21","18:00:00",""
"4349778","18.847","0.004","17.562","0.004","11.378","0.002","90","","90","","90","","3766","1.3","153.15","","153.15","","","","","","","","no","6","P n a 21","P 2c -2n","33","Co(L3)2(ClO4)2","4","","- C36 H34 Cl2 Co N6 O12 -","- C36 H34 Cl2 Co N6 O12 -","- C144 H136 Cl8 Co4 N24 O48 -","4","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0611","0.0526","","","0.1044","0.109","","","","","","1.087","","","","has coordinates","235821","2020-10-21","18:00:00",""
"4349826","18.363","0.003","15.899","0.002","7.6788","0.0011","90","","90","","90","","2241.9","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 N13 O6 Zn2 -","- C16 H11 N13 O6 Zn2 -","- C64 H44 N52 O24 Zn8 -","4","1","","Li, Min-Yu; Zhang, Hai-Xia; Wang, Fei; Zhang, Jian","Synthesis of zeolitic tetrazolate-imidazolate frameworks (ZTIFs) in ethylene glycol","Inorganic Chemistry Frontiers","2018","5","3","675","","10.1039/C7QI00765E","","","0.71073","MoKα","","0.0256","0.0217","","","0.0645","0.0747","","","","","","1.127","","","","has coordinates","235866","2020-10-21","18:00:00",""
"4349954","31.578","0.005","14.455","0.002","12.057","0.0017","90","","90","","90","","5503.5","1.4","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 N26 Na2 O29 -","- C36 H36 N26 Na2 O29 -","- C144 H144 N104 Na8 O116 -","4","1","","Lin, Jing-Xiang; Chen, Yu-Xi; Zhao, Dan; Chen, Yu; Lu, Xiu-Qiang; Lü, Jian; Cao, Rong","Controlled nitrite anion encapsulation and release in the molecular cavity of decamethylcucurbit[5]uril: solution and solid state studies","Inorganic Chemistry Frontiers","2019","6","1","303","","10.1039/C8QI01168K","","","1.54184","CuKα","","0.1169","0.1126","","","0.3141","0.3177","","","","","","1.0458","","","","has coordinates","236977","2020-10-21","18:00:00",""
"4349964","15.7451","0.0018","10.6651","0.001","20.59","0.0016","90","","90","","90","","3457.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Cu(NNN-Et-Pincer)-CN](Et4N)","","","- C36 H49 Cu N5 O2 -","- C36 H49 Cu N5 O2 -","- C144 H196 Cu4 N20 O8 -","4","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.1038","0.0847","","","0.2226","0.2378","","","","","","1.062","","","","has coordinates","236988","2020-10-21","18:00:00",""
"4350042","29.56","0.003","11.5592","0.0014","9.7924","0.0011","90","","90","","90","","3346","0.6","143","2","143","2","","","","","","","","6","P n a 21","P 2c -2n","33","[Ni(12-TMC)(NO3)](NO3)","","","- C36 H48 B N5 Ni O3 -","- C36 H48 B N5 Ni O3 -","- C144 H192 B4 N20 Ni4 O12 -","4","1","","Yun, Seonggeun; Kwon, Nam; Kim, Seonghan; Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Reactivity difference in the oxidative nucleophilic reaction of peroxonickel(iii) intermediates with open-chain and macrocyclic systems","Inorganic Chemistry Frontiers","2019","6","8","2112","","10.1039/C9QI00465C","","","0.71073","MoKa","","0.0881","0.0549","","","0.1267","0.1435","","","","","","0.966","","","","has coordinates","237957","2020-10-21","18:00:00",""
"4350044","35.547","0.002","11.683","0.0007","9.281","0.0006","90","","90","","90","","3854.4","0.4","133","2","133","2","","","","","","","","7","P n a 21","P 2c -2n","33","[Ni(Me6-trien](ClO4)(BPh4)((CH3)2CO)","","","- C39 H56 B Cl N4 Ni O5 -","- C39 H56 B Cl N4 Ni O5 -","- C156 H224 B4 Cl4 N16 Ni4 O20 -","4","1","","Yun, Seonggeun; Kwon, Nam; Kim, Seonghan; Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Reactivity difference in the oxidative nucleophilic reaction of peroxonickel(iii) intermediates with open-chain and macrocyclic systems","Inorganic Chemistry Frontiers","2019","6","8","2112","","10.1039/C9QI00465C","","","0.71073","MoKa","","0.1039","0.0725","","","0.1426","0.1546","","","","","","1.146","","","","has coordinates","237957","2020-10-21","18:00:00",""
"4350132","22.107","0.006","18.991","0.003","9.44","0.002","90","","90","","90","","3963.2","1.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H49 Cu2 F12 N7 O2 P2 -","- C30 H49 Cu2 F12 N7 O2 P2 -","- C120 H196 Cu8 F48 N28 O8 P8 -","4","1","","Costas, Miquel; Ribas, Xavi; Poater, Albert; López Valbuena, Josep Maria; Xifra, Raül; Company, Anna; Duran, Miquel; Solà, Miquel; Llobet, Antoni; Corbella, Montserrat; Usón, Miguel Angel; Mahía, José; Solans, Xavier; Shan, Xiaopeng; Benet-Buchholz, Jordi","Copper(II) hexaaza macrocyclic binuclear complexes obtained from the reaction of their copper(I) derivates and molecular dioxygen.","Inorganic chemistry","2006","45","9","3569","3581","10.1021/ic051800j","","","0.71073","MoKα","","0.0803","0.0541","","0.1435","0.1258","","","","1.137","1.153","1.153","","","","","has coordinates,has disorder","239753","2020-10-21","18:00:00",""
"4350175","24.713","0.004","6.5565","0.001","12.5558","0.0019","90","","90","","90","","2034.4","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Gd N9 O8 Ru -","- C12 H16 Gd N9 O8 Ru -","- C48 H64 Gd4 N36 O32 Ru4 -","4","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0356","0.0276","","","0.0506","0.0526","","","","","","1.112","","","","has coordinates","239770","2020-10-21","18:00:00",""
"4350176","24.791","0.002","6.5425","0.0006","12.4486","0.0012","90","","90","","90","","2019.1","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 N9 Nd O8 Ru -","- C12 H16 N9 Nd O8 Ru -","- C48 H64 N36 Nd4 O32 Ru4 -","4","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0242","0.0209","","","0.0448","0.0458","","","","","","1.085","","","","has coordinates","239770","2020-10-21","18:00:00",""
"4350177","24.791","0.002","6.5425","0.0006","12.4486","0.0012","90","","90","","90","","2019.1","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 N9 O8 Ru Sm -","- C12 H16 N9 O8 Ru Sm -","- C48 H64 N36 O32 Ru4 Sm4 -","4","1","","Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.","Inorganic chemistry","2006","45","10","3895","3904","10.1021/ic0521574","","","0.71073","MoKα","","0.0287","0.0243","","","0.0505","0.0519","","","","","","1.014","","","","has coordinates","239770","2020-10-21","18:00:00",""
"4350722","8.9319","0.0003","7.819","0.0002","11.6928","0.0005","90","","90","","90","","816.61","0.05","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0465","0.0248","","","0.0435","0.0461","","","","","","0.912","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350723","8.9503","0.0003","7.8214","0.0002","11.7189","0.0005","90","","90","","90","","820.37","0.05","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.053","0.0243","","","0.0408","0.0438","","","","","","0.885","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350724","8.9448","0.0003","7.8403","0.0003","11.7669","0.0005","90","","90","","90","","825.21","0.05","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0659","0.0259","","","0.0426","0.0474","","","","","","0.885","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350726","8.664","0.0003","7.7157","0.0002","11.4824","0.0004","90","","90","","90","","767.58","0.04","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0452","0.023","","","0.0426","0.0457","","","","","","0.931","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350727","8.6806","0.0003","7.7235","0.0003","11.5056","0.0003","90","","90","","90","","771.39","0.04","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0481","0.0227","","","0.0402","0.0429","","","","","","0.942","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350728","8.6748","0.0003","7.7488","0.0003","11.5478","0.0004","90","","90","","90","","776.23","0.05","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0553","0.0233","","","0.0395","0.0436","","","","","","0.893","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4500232","7.506","0.002","10.282","0.001","19.63","0.03","90","","90","","90","","1515","2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H10 Cl I N2 Pd S -","- C13 H10 Cl I N2 Pd S -","- C52 H40 Cl4 I4 N8 Pd4 S4 -","4","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0447","0.0435","","","0.1094","0.1121","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500252","26.316","0.011","7.329","0.004","7.737","0.003","90","","90","","90","","1492.2","1.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.0529","0.0476","","","0.117","0.1207","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500290","6.673","0.004","14.874","0.003","12.472","0.004","90","","90","","90","","1237.9","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H11 Cu N4 O3 -","- C13 H11 Cu N4 O3 -","- C52 H44 Cu4 N16 O12 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0918","0.0636","","","0.1669","0.237","","","","","","1.102","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500334","11.1121","0.0013","10.9483","0.0012","3.8187","0.0005","90","","90","","90","","464.58","0.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H4 Ag N3 -","- C3 H4 Ag N3 -","- C12 H16 Ag4 N12 -","4","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0253","0.0235","","","0.0623","0.0636","","","","","","1.079","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500335","7.1495","0.0004","8.1326","0.0004","9.5939","0.0005","90","","90","","90","","557.83","0.05","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 Ag N3 -","- C4 H6 Ag N3 -","- C16 H24 Ag4 N12 -","4","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0119","0.0119","","","0.0302","0.0302","","","","","","1.037","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500348","9.3917","0.0011","14.1197","0.0016","15.313","0.0017","90","","90","","90","","2030.6","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H22 Co N4 O4 -","- C20 H22 Co N4 O4 -","- C80 H88 Co4 N16 O16 -","4","1","","Liu, Jian-Qiang; Huang, Yun-Sheng; Zhao, Ying-Yong; Jia, Zhen-Bin","Molecular Tectonics of Entangled Metal−Organic Frameworks Based on Different Conformational Carboxylates Mixed with a Flexible N,N′-Type Ligand","Crystal Growth & Design","2011","11","2","569","","10.1021/cg101461w","","","0.71073","MoKα","","0.0442","0.0375","","","0.099","0.106","","","","","","0.86","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500470","25.117","0.011","26.607","0.012","17.479","0.008","90","","90","","90","","11681","9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H34 N6 O29 Zn7 -","- C44 H24 N6 O29 Zn7 -","- C176 H96 N24 O116 Zn28 -","4","1","","Ling, Yun; Chen, Zhenxia; Zheng, Hua; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Two Novel Zinc(II) Metal‒Organic Frameworks Based on Triazole-Carboxylate Shared Paddle-Wheel Units: Synthesis, Structure, and Gas Adsorption","Crystal Growth & Design","2011","11","7","2811","","10.1021/cg101569a","","","0.71073","MoKα","","0.1606","0.0851","","","0.2212","0.2728","","","","","","1.01","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500496","10.956","0.001","17.701","0.001","7.498","0.001","90","","90","","90","","1454.1","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H10 F5 N3 O3 -","- C14 H10 F5 N3 O3 -","- C56 H40 F20 N12 O12 -","4","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0252","0.0239","","","0.0609","0.0618","","","","","","1.036","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500776","8.0336","0.0011","5.5785","0.0007","51.75","0.008","90","","90","","90","","2319.2","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","DH74","","","- C29 H24 O6 Zn -","- C29 H24 O6 Zn -","- C116 H96 O24 Zn4 -","4","1","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.71073","MoKα","","0.0746","0.0708","","","0.1498","0.1517","","","","","","1.153","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500890","12.0543","0.0003","11.6052","0.0002","17.7228","0.0005","90","","90","","90","","2479.29","0.1","173","2","173","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C25 H33 F3 Fe N2 O2 -","- C25 H33 F3 Fe N2 O2 -","- C100 H132 F12 Fe4 N8 O8 -","4","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0465","0.0395","","","0.0967","0.1027","","","","","","0.848","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500957","20.9055","0.0009","13.4391","0.0006","9.3136","0.0004","90","","90","","90","","2616.7","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H10 O3 -","- C5 H10 O3 -","- C80 H160 O48 -","16","4","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0282","0.0245","","","0.0566","0.0584","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500974","16.6597","0.0007","10.3551","0.0004","6.9008","0.0003","90","","90","","90","","1190.48","0.09","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H14 Ag2 N3 O6 P S -","- C6 H14 Ag2 N3 O6 P S -","- C24 H56 Ag8 N12 O24 P4 S4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Smoleński, Piotr; Pombeiro, Armando J. L.","1,3,5-Triaza-7-phosphaadamantane-7-oxide (PTA═O): New Diamondoid Building Block for Design of Three-Dimensional Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","7","2711","","10.1021/cg200571y","","","0.71073","MoKα","","0.0193","0.0188","","","0.0465","0.0468","","","","","","0.956","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4501011","19.136","0.011","19.813","0.012","5.177","0.003","90","","90","","90","","1963","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Maguire, Anita R.; Lawrence, Simon E.","Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides","Crystal Growth & Design","2011","11","10","4433","","10.1021/cg2006277","","","0.71073","MoKα","","0.0807","0.0431","","","0.0822","0.0942","","","","","","0.999","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501012","18.71","0.11","20.13","0.05","5.197","0.016","90","","90","","90","","1957","14","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Maguire, Anita R.; Lawrence, Simon E.","Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides","Crystal Growth & Design","2011","11","10","4433","","10.1021/cg2006277","","","0.71073","MoKα","","0.0926","0.0466","","","0.0838","0.0991","","","","","","0.985","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501013","18.822","0.003","19.735","0.003","5.1366","0.0006","90","","90","","90","","1908","0.5","135","2","135","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Cl N O2 S -","- C21 H20 Cl N O2 S -","- C84 H80 Cl4 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Maguire, Anita R.; Lawrence, Simon E.","Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides","Crystal Growth & Design","2011","11","10","4433","","10.1021/cg2006277","","","0.71073","MoKα","","0.0723","0.0466","","","0.0866","0.0961","","","","","","1.019","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501060","15.984","0.004","15.327","0.004","6.1356","0.0016","90","","90","","90","","1503.1","0.7","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,5-dimethylpyridinium picrate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.054","0.0364","","","0.0963","0.1027","","","","","","0.952","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501063","12.074","0.0009","29.58","0.002","3.9708","0.0004","90","","90","","90","","1418.2","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-aminopyridinium picrate monohydrate","","- C11 H11 N5 O8 -","- C11 H11 N5 O8 -","- C44 H44 N20 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1336","0.0296","","","0.0187","0.0231","","","","","","0.608","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501078","25.439","0.004","10.5693","0.0016","14.524","0.002","90","","90","","90","","3905.1","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H44 Cd2 N6 O19 -","- C32 H40 Cd2 N6 O19 -","- C128 H160 Cd8 N24 O76 -","4","1","","Farnum, Gregory A.; Gandolfo, Chaun M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Aliphatic Tricarboxylate Dipyridylamine Coordination Polymers with New or Rare Binodal Topologies","Crystal Growth & Design","2011","11","11","4860","","10.1021/cg2006869","","","0.71073","MoKα","","0.0511","0.045","","","0.1033","0.1062","","","","","","1.115","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501429","11.7842","0.0016","24.518","0.003","18.522","0.003","90","","90","","90","","5351.5","1.3","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H53 I2 K2 N21 O22 -","- C36 H35 I2 K2 N21 O16 -","- C144 H140 I8 K8 N84 O64 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0433","0.0374","","","0.0936","0.0969","","","","","","1.035","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501444","24.984","0.002","7.5435","0.0006","13.9681","0.0011","90","","90","","90","","2632.5","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Dimethylamino-1-(5-fluoro-2-methyl-2,3-dihydrobenzofuran-7-yl)propenone","","- C14 H16 F N O2 -","- C14 H16 F N O2 -","- C112 H128 F8 N8 O16 -","8","2","","Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan","Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.","ACS combinatorial science","2011","13","4","427","435","10.1021/co2000604","","","0.71073","MoKα","","0.0418","0.0376","","","0.1007","0.1043","","","","","","1.06","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501482","14.76","0.005","10.497","0.004","15.085","0.005","90","","90","","90","","2337.2","1.4","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 N4 O4 Zn -","- C24 H28 N4 O4 Zn -","- C96 H112 N16 O16 Zn4 -","4","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Li, Cheng-Hui; Zhou, Xin-Hui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Physical Properties of Camphorate Coordination Polymers Controlled by Semirigid Auxiliary Ligands with Variable Coordination Positions and Conformations","Crystal Growth & Design","2010","10","6","2596","","10.1021/cg1000107","","","0.71073","MoKα","","0.057","0.0524","","","0.1141","0.1148","","","","","","1.063","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501483","14.466","0.004","10.691","0.003","15.601","0.004","90","","90","","90","","2412.8","1.1","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Cd N4 O4 -","- C24 H28 Cd N4 O4 -","- C96 H112 Cd4 N16 O16 -","4","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Li, Cheng-Hui; Zhou, Xin-Hui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Physical Properties of Camphorate Coordination Polymers Controlled by Semirigid Auxiliary Ligands with Variable Coordination Positions and Conformations","Crystal Growth & Design","2010","10","6","2596","","10.1021/cg1000107","","","0.71073","MoKα","","0.072","0.054","","","0.1065","0.1107","","","","","","1.001","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501555","15.003","0.003","31.085","0.006","13.095","0.003","90","","90","","90","","6107","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H63 Cl10 N5 O4 Zn2 -","- C47 H59 Cl10 N5 O4 Zn2 -","- C188 H236 Cl40 N20 O16 Zn8 -","4","1","","Yang, Jin; Wu, Biao; Zhuge, Fuyu; Liang, Jianjun; Jia, Chuandong; Wang, Yao-Yu; Tang, Ning; Yang, Xiao-Juan; Shi, Qi-Zhen","Coordination Networks from Zero-Dimensional Metallomacrocycle, One-Dimensional Chain to Two-Dimensional Sheet Based on a Ditopic Diiminopyridine Ligand and Group 12 Metals","Crystal Growth & Design","2010","10","5","2331","","10.1021/cg100093n","","","0.71073","MoKα","","0.1121","0.0617","","","0.1517","0.1805","","","","","","0.995","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501605","12.0067","0.0016","6.029","0.0006","5.8318","0.0006","90","","90","","90","","422.15","0.08","293.1","","293.1","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Iwama, Sekai; Horiguchi, Masahiro; Sato, Hiroyasu; Uchida, Yoshiaki; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui","Observation of the Preferential Enrichment Phenomenon for Essential α-Amino Acids with a Racemic Crystal Structure","Crystal Growth & Design","2010","10","6","2668","","10.1021/cg100152c","","","0.71075","MoKα","","","0.0469","","","","0.1163","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501743","7.487","0.004","11.314","0.006","13.166","0.007","90","","90","","90","","1115.3","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H5 Mn Mo2 N5 O7 -","- C6 H5 Mn Mo2 N5 O7 -","- C24 H20 Mn4 Mo8 N20 O28 -","4","1","","Dong, Ping; Zhang, Qi-Kai; Wang, Fei; Chen, Shan-Ci; Wu, Xiao-Yuan; Zhao, Zhen-Guo; Lu, Can-Zhong","A New Molybdenum-Oxide-Based Organic−Inorganic Hybrid Compound Templated by 5-(2-Pyridyl)tetrazole with New Topology and Canted Antiferromagnetism","Crystal Growth & Design","2010","10","7","3218","","10.1021/cg100349d","","","0.71073","MoKα","","0.0461","0.038","","","0.0941","0.1126","","","","","","1.059","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4502014","9.6227","0.0003","16.7625","0.0005","7.1301","0.0002","90","","90","","90","","1150.09","0.06","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","‘Cadmium-Sulfate’","","","- C2 H10 Cd2 N4 O8 S -","- C2 H4 Cd2 N4 O8 S -","- C8 H16 Cd8 N16 O32 S4 -","4","1","","Paul, Avijit Kumar; Sanyal, Udishnu; Natarajan, Srinivasan","Use of Polyazaheterocycles in the Assembly of New Cadmium Sulfate Frameworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2010","10","9","4161","","10.1021/cg100865v","","","0.71073","MoKα","","0.0395","0.028","","","0.0597","0.0622","","","","","","1.046","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502109","18.2025","0.0019","19.566","0.002","5.1336","0.0005","90","","90","","90","","1828.3","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.0421","0.0336","","","0.0683","0.0716","","","","","","1.04","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502110","12.7162","0.0014","18.5013","0.0018","8.3747","0.0009","90","","90","","90","","1970.3","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 N O4 S2 -","- C21 H19 N O4 S2 -","- C84 H76 N4 O16 S8 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.0447","0.0358","","","0.0818","0.0862","","","","","","1.035","","","","has coordinates,has disorder","179552","2020-10-21","18:00:00",""
"4502148","42.858","0.003","6.0745","0.0003","23.1726","0.0011","90","","90","","90","","6032.8","0.6","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","4-benzylphenol","","","- C13 H12 O -","- C13 H12 O -","- C312 H288 O24 -","24","6","","Martin, Adam D.; Hartlieb, Karel J.; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld Surface Analysis of Substituted Phenols","Crystal Growth & Design","2010","10","12","5302","","10.1021/cg1011605","","","1.54178","CuKα","","0.0679","0.0524","","","0.1324","0.1451","","","","","","1.006","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502153","19.517","0.004","17.306","0.004","18.722","0.004","90","","90","","90","","6324","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H24 Cd2 O15 -","- C33 H24 Cd2 O15 -","- C132 H96 Cd8 O60 -","4","1","","Tian, Jian; Motkuri, Radha Kishan; Thallapally, Praveen K.; McGrail, B. Peter","Metal−Organic Framework Isomers with Diamondoid Networks Constructed of a Semirigid Tetrahedral Linker","Crystal Growth & Design","2010","10","12","5327","","10.1021/cg101222w","","","0.71073","MoKα","","0.0417","0.0347","","","0.09","0.0927","","","","","","1.026","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502166","19.0408","0.0013","6.66738","0.00012","11.1188","0.0002","90","","90","","90","","1411.56","0.1","95","2","95","2","","","","","","","","4","P n a 21","P 2c -2n","33","TNT : 1,2-phenylenediamine","2,4,6-trinitrotoluene : 1,2-phenylenediamine","","- C13 H13 N5 O6 -","- C13 H13 N5 O6 -","- C52 H52 N20 O24 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.0363","0.0336","","","0.1002","0.1134","","","","","","0.981","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502354","13.0264","0.0016","35.454","0.004","9.2864","0.0011","90","","90","","90","","4288.8","0.9","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H40 Mg2 O20 S12 -","- C22 H9 Mg2 O20 S12 -","- C88 H36 Mg8 O80 S48 -","4","1","","Wang, Jin-Po; Lu, Zhe-Jun; Zhu, Qin-Yu; Zhang, Ya-Ping; Qin, Yu-Rong; Bian, Guo-Qing; Dai, Jie","Calcium and Magnesium Bicarboxylates Combined with Tetrathiafulvalene Moiety","Crystal Growth & Design","2010","10","5","2090","","10.1021/cg901018s","","","0.7107","MoKα","","0.0712","0.0646","","","0.1658","0.1708","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502382","15.916","0.013","7.61","0.003","14.093","0.006","90","","90","","90","","1707","1.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H24 Mo N6 Ni S4 -","- C6 H24 Mo N6 Ni S4 -","- C24 H96 Mo4 N24 Ni4 S16 -","4","1","","Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M.","Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni)","Crystal Growth & Design","2010","10","2","669","","10.1021/cg901087x","","","0.71073","MoKα","","0.0463","0.0344","","","0.0613","0.0662","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502410","23.1068","0.0015","23.107","","4.6074","0.0004","90","","90","","90","","2460","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H24 N4 O9 -","- C24 H24 N4 O9 -","- C96 H96 N16 O36 -","4","1","","Dey, Sandeep Kumar; Das, Gopal","Conformational Polymorphism of a Simple Tripodal Podand Bearing Nitro Functionality","Crystal Growth & Design","2010","10","2","754","","10.1021/cg901153q","","","0.71073","MoKα","","0.095","0.0522","","","0.121","0.1348","","","","","","0.921","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502742","20.845","0.002","13.071","0.0015","12.4964","0.0012","90","","90","","90","","3404.8","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H33 N3 O7 Zn -","- C38 H33 N3 O7 Zn -","- C152 H132 N12 O28 Zn4 -","4","1","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.0877","0.0493","","","0.0974","0.1067","","","","","","1.068","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502881","18.7116","0.0009","10.8977","0.0005","14.6613","0.0007","90","","90","","90","","2989.6","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.05","0.0376","","","0.0873","0.0918","","","","","","0.977","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502994","12.7255","0.0011","26.833","0.002","3.8938","0.0003","90","","90","","90","","1329.59","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.1121","0.0646","","","0.0971","0.1097","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503115","10.9101","0.0011","15.5148","0.0015","7.2463","0.0007","90","","90","","90","","1226.6","0.2","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-diaminoadamantane dihydrochloride","","- C10 H20 Cl2 N2 -","- C10 H20 Cl2 N2 -","- C40 H80 Cl8 N8 -","4","1","","Ergaz, Itzhak; Toscano, Rubén Alfredo; Delgado, Guillermo; Steinberg, Avital; Glaser, Robert","The Effect of Environment on Molecular Structure: The Crystalline-State Stereochemistry ofN-Methylated Adamantane 1,3-Diammonium Salts","Crystal Growth & Design","2008","8","4","1399","","10.1021/cg0704908","","","0.71073","MoKα","","0.0335","0.0327","","","0.0766","0.0772","","","","","","1.084","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503471","10.79","0.006","17.585","0.01","5.148","0.003","90","","90","","90","","976.8","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H7 N O3 Zn -","- C10 H7 N O3 Zn -","- C40 H28 N4 O12 Zn4 -","4","1","","Hu, Sheng; Zou, Hua-Hong; Zeng, Ming-Hua; Wang, Qiang-Xin; Liang, Hong","Molecular Packing Variation of Crimpled 2D Layers and 3D Uncommon 65.8 Topology: Effect of Ligand on the Construction of Metal−Quinoline-6-carboxylate Polymers","Crystal Growth & Design","2008","8","7","2346","","10.1021/cg701153z","","","0.71073","MoKα","","0.0231","0.0213","","","0.0506","0.0513","","","","","","1.071","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503489","18.6983","0.0013","13.7126","0.0012","16.305","0.002","90","","90","","90","","4180.6","0.7","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H22 Cu N4 O8 S -","- C16 H18 Cu N4 O8 S -","- C128 H144 Cu8 N32 O64 S8 -","8","2","","Hsu, Yi-Fen; Lin, Chia-Her; Chen, Jhy-Der; Wang, Ju-Chun","A Novel Interpenetrating Diamondoid Network from Self-Assembly ofN,N′-Di(4-pyridyl)adipoamide and Copper Sulfate: An Unusual 12-Fold, [6 + 6] Mode","Crystal Growth & Design","2008","8","4","1094","","10.1021/cg701209k","","","0.71073","MoKα","","0.0585","0.0465","","","0.1308","0.1409","","","","","","1.045","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503509","17.364","0.006","7.385","0.003","18.031","0.009","90","","90","","90","","2312.2","1.7","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H30 N4 O10 U -","- C16 H30 N4 O10 U -","- C64 H120 N16 O40 U4 -","4","1","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0371","0.0326","","","0.0827","0.0854","","","","","","1.053","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503594","23.516","0.0011","15.1207","0.0007","12.8597","0.0006","90","","90","","90","","4572.6","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H27 Cd2 N7 O13 -","- C31 H27 Cd2 N7 O13 -","- C124 H108 Cd8 N28 O52 -","4","1","","Xue, Ming; Zhu, Guangshan; Li, Yangxue; Zhao, Xiaojun; Jin, Zhao; Kang, Enhua; Qiu, Shilun","Structure, Hydrogen Storage, and Luminescence Properties of Three 3D Metal−Organic Frameworks with NbO and PtS Topologies","Crystal Growth & Design","2008","8","7","2478","","10.1021/cg8001114","","","0.71073","MoKα","","0.1032","0.0582","","","0.1501","0.1669","","","","","","1.001","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503916","21.8982","0.0006","27.3098","0.0007","20.1293","0.0005","90","","90","","90","","12038","0.5","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","Hexachloroazatriquinacene - 3C70 - 3PhCl","","","- C237 H18 Cl9 N -","- C237 H18 Cl9 N -","- C948 H72 Cl36 N4 -","4","1","","Pham, David; Ceron-Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Ordered Crystals of Fullerenes Produced by Cocrystallization with Halogenated Azatriquinacenes","Crystal Growth & Design","2007","7","1","75","","10.1021/cg060438w","","","0.71073","MoKα","","0.0373","0.0339","","","0.0826","0.0856","","","","","","0.93","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504040","15.39","0.0017","10.779","0.0017","23.333","0.01","90","","90","","90","","3870.7","1.8","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bencylamide of 7,7-dicyclopropyl-5-hydroxymethyl-6- oxa-bicyclo[3.2.1] -1-carboxylic acid [1p]","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","2","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.0904","0.0729","","","0.1728","0.1971","","","","","","1.071","","","","has coordinates,has disorder","179575","2020-10-21","18:00:00",""
"4504098","8.329","0.003","17.494","0.008","8.327","0.003","90","","90","","90","","1213.3","0.8","180","2","180","2","","","","","","","","3","P n a 21","P 2c -2n","33","2-Ethynylpyridine","2-Ethynylpyridine","","- C7 H5 N -","- C7 H5 N -","- C56 H40 N8 -","8","2","","Thalladi, Venkat R.; Dabros, Marta; Gehrke, Annette; Weiss, Hans-Christoph; Boese, Roland","Crystal Engineering with ⋮C−H···N and C−H···N Hydrogen Bonds","Crystal Growth & Design","2007","7","4","598","","10.1021/cg060806w","","","0.71073","MoKα","","0.0961","0.0551","","","0.1199","0.1385","","","","","","1.036","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504244","9.3753","0.0011","19.717","0.003","9.866","0.0013","90","","90","","90","","1823.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C76 H80 N8 O24 -","4","1","","López, Concepción; Claramunt, Rosa M.; García, María Ángeles; Pinilla, Elena; Torres, M. Rosario; Alkorta, Ibon; Elguero, José","Cocrystals of 3,5-Dimethyl-1H-pyrazole and Salicylic Acid: Controlled Formation of Trimers via O−H···N Hydrogen Bonds†","Crystal Growth & Design","2007","7","6","1176","","10.1021/cg0701527","","","0.71073","MoKα","","0.1572","0.0402","","","0.0679","0.0893","","","","","","0.795","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504380","13.173","0.005","8.493","0.005","12.555","0.005","90","","90","","90","","1404.6","1.1","89","2","89","2","","","","","","","","7","P n a 21","P 2c -2n","33","compound 1 cbao","","","- C11 H11 Ag B F4 N3 S -","- C11 H11 Ag B F4 N3 S -","- C44 H44 Ag4 B4 F16 N12 S4 -","4","1","","Black, Cory A.; Hanton, Lyall R.","An Atypical Network: Noninterpenetrating (10,3)-d Nets Using an Unsymmetrical Flexible Ligand and Ag(I) as Three-Connected Nodes","Crystal Growth & Design","2007","7","9","1868","","10.1021/cg070437j","","","0.71069","MoKα","","0.0542","0.0439","","","0.1202","0.1278","","","","","","1.109","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504381","13.08","0.004","8.564","0.003","12.607","0.004","90","","90","","90","","1412.2","0.8","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","compound 2 cban","","","- C11 H11 Ag Cl N3 O4 S -","- C11 H11 Ag Cl N3 O4 S -","- C44 H44 Ag4 Cl4 N12 O16 S4 -","4","1","","Black, Cory A.; Hanton, Lyall R.","An Atypical Network: Noninterpenetrating (10,3)-d Nets Using an Unsymmetrical Flexible Ligand and Ag(I) as Three-Connected Nodes","Crystal Growth & Design","2007","7","9","1868","","10.1021/cg070437j","","","0.71073","MoKα","","0.0315","0.026","","","0.0584","0.0606","","","","","","1.038","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504382","13.939","0.005","8.334","0.005","12.856","0.005","90","","90","","90","","1493.5","1.2","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","compound 3 cbam","","","- C11 H11 Ag F6 N3 P S -","- C11 H11 Ag F6 N3 P S -","- C44 H44 Ag4 F24 N12 P4 S4 -","4","1","","Black, Cory A.; Hanton, Lyall R.","An Atypical Network: Noninterpenetrating (10,3)-d Nets Using an Unsymmetrical Flexible Ligand and Ag(I) as Three-Connected Nodes","Crystal Growth & Design","2007","7","9","1868","","10.1021/cg070437j","","","0.71069","MoKα","","0.0276","0.0216","","","0.0508","0.0531","","","","","","1.024","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504439","8.972","0.011","13.188","0.017","15.573","0.019","90","","90","","90","","1843","4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H17 N3 O4 Zn -","- C20 H17 N3 O4 Zn -","- C80 H68 N12 O16 Zn4 -","4","1","","Braverman, Maxwell A.; LaDuca, Robert L.","Luminescent Two- and Three-Dimensional Zinc Coordination Polymers Containing Isomers of Phenylenediacetate and a Kinked Tethering Organodiimine","Crystal Growth & Design","2007","7","11","2343","","10.1021/cg070599f","","","0.71073","MoKα","","0.104","0.0541","","","0.1001","0.1146","","","","","","1.042","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504471","23.34","0.004","12.766","0.002","14.903","0.003","90","","90","","90","","4440.5","1.4","105","","105","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H48 Cl2 N8 O14 Pt Zn2 -","- C32 H48 Cl2 N8 O14 Pt Zn2 -","- C128 H192 Cl8 N32 O56 Pt4 Zn8 -","4","1","","Hafizović, Jasmina; Krivokapić, Alexander; Szeto, Kai C.; Jakobsen, Søren; Lillerud, Karl Petter; Olsbye, Unni; Tilset, Mats","Tailoring the Dimensionality of Metal‒Organic Frameworks Incorporating Pt and Pd. From Molecular Complexes to 3D Networks","Crystal Growth & Design","2007","7","11","2302","","10.1021/cg7008094","","","0.71073","MoKα","","0.0507","0.0362","","0.0526","0.0393","0.0393","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504566","7.9","0.006","5.429","0.004","26.8","0.02","90","","90","","90","","1149.4","1.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Glaser, Rainer; Knotts, Nathan; Wu, Zhengyu; Barnes, Charles L.","Dipole Parallel-Alignment in the Crystal Structure of a Polar Biphenyl: 4'-Acetyl-4-Methoxybiphenyl (AMB).","Crystal growth & design","2006","6","1","235","240","10.1021/cg050316o","","","0.71073","MoKα","","0.1062","0.0464","","","0.1121","0.1447","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504651","25.4695","0.0014","20.8784","0.0012","9.6872","0.0005","90","","90","","90","","5151.3","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate - 18-Crown-6 - Hydrate","","- C21 H41 N O13 -","- C21 H41 N O13 -","- C168 H328 N8 O104 -","8","2","","Bhogala, Balakrishna R.; Nangia, Ashwini","Influence of the Ammonium Cation and 18-Crown-6 Guest on the Supramolecular Networks of 1,3,5-Cyclohexanetricarboxylic Acid","Crystal Growth & Design","2006","6","1","32","35","10.1021/cg050396w","","","0.71073","MoKα","","0.0468","0.0431","","","0.0981","0.1001","","","","","","1.116","","","","has coordinates","256863","2020-10-21","18:00:00",""
"4504667","7.0504","0.0008","35.688","0.005","8.7657","0.0012","90","","90","","90","","2205.6","0.5","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H23 N4 O3 P -","- C22 H23 N4 O3 P -","- C88 H92 N16 O12 P4 -","4","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Bickley, Jamie F.; Steiner, Alexander","Influence of O−H···OP Hydrogen Bonding on the Supramolecular Architectures of Phosphorus-Based Hydrazones: Alternate Right- and Left-Handed Fused Helical Chains Based on O−H···OP Hydrogen Bonds in the Crystal Structure of C6H5P(O)[N(CH3)NCHC6H4-p-OH]2","Crystal Growth & Design","2006","6","4","910","","10.1021/cg050426v","","","0.71073","MoKα","","0.0426","0.0388","","","0.0996","0.1046","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504779","11.6704","0.0009","3.9682","0.0004","41.889","0.003","90","","90","","90","","1939.9","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C72 H80 Cl8 N8 O16 -","8","2","","Chowdhury, Masrur; Kariuki, Benson M.","Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions","Crystal Growth & Design","2006","6","3","774","","10.1021/cg050604k","","","1.54178","CuKα","","0.1201","0.0739","","","0.1699","0.1949","","","","","","1.062","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504842","10.034","0.004","11.784","0.004","8.386","0.003","90","","90","","90","","991.6","0.6","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-butyl-3-methylimidazolium bromide","","- C8 H15 Br N2 -","- C8 H15 Br N2 -","- C32 H60 Br4 N8 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Cocrystal of an Ionic Liquid with Organic Molecules as a Mimic of Ionic Liquid Solution","Crystal Growth & Design","2005","5","1","337","","10.1021/cg030086i","","","0.71073","MoKα","","0.0446","0.033","","","0.0731","0.0757","","","","","","0.976","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504949","7.549","0.003","12.059","0.004","14.631","0.005","90","","90","","90","","1331.9","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","bis(dicyanamide)-(2,2'-bi-imidazole)-manganese(II)","","- C10 H6 Mn N10 -","- C10 H6 Mn N10 -","- C40 H24 Mn4 N40 -","4","1","","Ghoshal, D.; Ghosh, A. K.; Ribas, J.; Zangrando, E.; Mostafa, G.; Maji, T. K.; Ray Chaudhuri, N.","Synthesis, Crystal Structure, and Magnetic Behavior of Two Dicyanamido-Bridged Complexes of Manganese(II): Effect of Weak Interaction in Carving Regular Geometry","Crystal Growth & Design","2005","5","3","941","","10.1021/cg049669y","","","0.71073","Mokα","","0.054","0.0349","","","0.0885","0.0974","","","","","","1.028","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4505001","13.1347","0.0016","10.912","0.002","12.203","0.002","90","","90","","90","","1749","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-aminopyridinium 4-nitrophenolate . 4-nitrophenol ?","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Salts of 4-Nitrophenolate with H-Bonded Helical Formations: Structure-Directing Role ofortho-Aminopyridines","Crystal Growth & Design","2005","5","2","721","","10.1021/cg049763e","","","0.71073","MoKα","","0.1222","0.0447","","","0.1153","0.1154","","","","","","0.961","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505002","13.6129","0.0014","10.9042","0.0011","12.0323","0.0012","90","","90","","90","","1786","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,6-diaminopyridinium 4-nitrophenolate . 4-nitrophenol ?","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C68 H68 N20 O24 -","4","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Salts of 4-Nitrophenolate with H-Bonded Helical Formations: Structure-Directing Role ofortho-Aminopyridines","Crystal Growth & Design","2005","5","2","721","","10.1021/cg049763e","","","0.71073","MoKα","","0.0694","0.0415","","","0.1247","0.1247","","","","","","0.857","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505155","15.597","0.003","21.361","0.004","7.6072","0.0013","90","","90","","90","","2534.5","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H26 N8 O12 S2 -","- C16 H18 N8 O12 S2 -","- C64 H72 N32 O48 S8 -","4","1","","Custelcean, Radu; Ward, Michael D.","Chiral Discrimination in Low-Density Hydrogen-Bonded Frameworks","Crystal Growth & Design","2005","5","6","2277","","10.1021/cg050118x","","","0.7107","MoKα","","0.0524","0.0461","","","0.1326","0.1373","","","","","","1.045","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505220","36.4719","0.0018","16.3165","0.0009","7.847","0.0006","90","","90","","90","","4669.7","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C47 H73 N7 O7 -","- C47 H73 N7 O7 -","- C188 H292 N28 O28 -","4","1","","Chmielewski, Michał J.; Dobrzycki, Łukasz; Jurczak, Janusz; Woźniak, Krzysztof","Unusual Anion−Anion Assembly inside a Macrocycle-Defined Channel in the Crystal Lattice","Crystal Growth & Design","2005","5","4","1339","","10.1021/cg0501938","","","0.71073","MoKα","","0.0767","0.0509","","","0.1088","0.1295","","","","","","1.039","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505260","11.12","0.002","25.49","0.005","4.023","0.0008","90","","90","","90","","1140.3","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1637","0.0562","","","0.1318","0.1659","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505337","21.6736","0.0007","8.7163","0.0003","14.5737","0.0005","90","","90","","90","","2753.17","0.16","161","2","161","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 Ag B11 F11 -","- C21 H19 Ag B11 F11 -","- C84 H76 Ag4 B44 F44 -","4","1","","Ivanov, Sergei V.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structure of Ag(CHPh3)(1-Me-CB11F11). Trigonal-Planar Ag(Arene)3+Cations, Polymeric {Ag(CHPh3)+}∞Triangular-Net Layers, and Partially Aligned Interstitial Carborane Anions in a Polar Crystal","Crystal Growth & Design","2004","4","2","249","","10.1021/cg034230b","","","0.71073","MoKα","","0.1198","0.0709","","","0.1058","0.1211","","","","","","1.078","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505401","7.6679","0.0002","26.1975","0.0006","11.1698","0.0002","90","","90","","90","","2243.79","0.09","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(4-aminophenethyl)phenol","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","2","","Bhogala, Balakrishna R.; Vangala, Venu R.; Smith, Philip S.; Howard, Judith A. K.; Desiraju, Gautam R.","A Novel Saturated Hydrogen Bridge Architecture in Supraminols","Crystal Growth & Design","2004","4","4","647","","10.1021/cg049916y","","","0.71073","MoKα","","0.0607","0.0398","","","0.0796","0.0861","","","","","","0.929","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505486","24.7094","0.0017","19.5965","0.001","11.1511","0.0006","90","","90","","90","","5399.6","0.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H52 Co2 I2 N10 O10 -","- C44 H52 Co2 I2 N10 O10 -","- C176 H208 Co8 I8 N40 O40 -","4","1","","Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.","Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect","Crystal Growth & Design","2012","12","3","1239","","10.1021/cg201257j","","","0.71073","MoKα","","0.094","0.0673","","","0.1596","0.1779","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505532","13.087","0.002","15.579","0.003","3.8629","0.0006","90","","90","","90","","787.6","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.113","0.0786","","","0.1934","0.2118","","","","","","0.972","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505533","24.3301","0.0014","3.7707","0.0002","8.485","0.0005","90","","90","","90","","778.43","0.08","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline form II","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.0569","0.0416","","","0.0976","0.1035","","","","","","0.955","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505594","24.6004","0.0013","12.4601","0.0007","21.0665","0.0012","90","","90","","90","","6457.4","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H95 Ce3 O22 -","- C48 H95 Ce3 O22 -","- C192 H380 Ce12 O88 -","4","1","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.0304","0.0244","","","0.057","0.0604","","","","","","1.031","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505813","26.3318","0.0011","6.355","0.0003","12.9136","0.0005","90","","90","","90","","2160.94","0.16","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","diketopiperazine + 2,5-dihydroxybenzoic acid","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C88 H96 N16 O48 -","8","2","","Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine","Crystal Growth & Design","2002","2","5","337","","10.1021/cg025535d","","","0.71073","MoKα","","0.0694","0.0604","","","0.172","0.178","","","","","","1.074","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505926","20.193","0.004","13.758","0.003","7.21","0.0014","90","","90","","90","","2003","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H21 Co N5 O8 -","- C16 H21 Co N5 O8 -","- C64 H84 Co4 N20 O32 -","4","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0906","0.0745","","","0.1612","0.1684","","","","","","1.194","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4506189","10.4668","0.0004","23.066","0.0009","6.9667","0.0002","90","","90","","90","","1681.95","0.1","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","Pridopidine hydrochloride form I","","","- C15 H24 Cl N O2 S -","- C15 H24 Cl N O2 S -","- C60 H96 Cl4 N4 O8 S4 -","4","1","","Zimmermann, Anne; Frøstrup, Brian; Bond, Andrew D.","Polymorphs of Pridopidine Hydrochloride","Crystal Growth & Design","2012","12","6","2961","","10.1021/cg300185n","","","0.71073","MoKα","","0.0384","0.0295","","","0.0674","0.0701","","","","","","1.038","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506273","13.2308","0.0005","10.2126","0.0006","17.594","0.0006","90","","90","","90","","2377.32","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 Ba3 O16 -","- C18 H14 Ba3 O16 -","- C72 H56 Ba12 O64 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Zhang, Ming-Jian; Zhang, Jian; Yao, Yuan-Gen","A Series of Ca(II) or Ba(II) Inorganic‒Organic Hybrid Frameworks Based on Aromatic Polycarboxylate Ligands with the Inorganic M‒O‒M (M = Ca, Ba) Connectivity from 1D to 3D","Crystal Growth & Design","2012","12","6","3231","","10.1021/cg3003756","","","0.71073","MoKα","","0.0616","0.0558","","","0.152","0.1592","","","","","","1.042","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506291","15.42","0.0002","10.722","0.0005","9.137","0.0002","90","","90","","90","","1510.65","0.08","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 Ba N4 O10 -","- C12 H10 Ba N4 O10 -","- C48 H40 Ba4 N16 O40 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents","Crystal Growth & Design","2012","12","7","3575","","10.1021/cg3004068","","","0.71073","MoKα","","0.0743","0.0547","","","0.1308","0.1465","","","","","","1.006","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506416","9.0219","0.0002","5.1183","0.0001","34.1133","0.0007","90","","90","","90","","1575.24","0.06","100","2","100","2","","","","","","","synthesized","5","P n a 21","P 2c -2n","33","","","","- C15 H13 I O3 S2 -","- C15 H13 I O3 S2 -","- C60 H52 I4 O12 S8 -","4","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0252","0.0246","","","0.0524","0.0525","","","","","","1.096","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506638","9.0694","0.0006","17.9222","0.0017","14.5011","0.0013","90","","90","","90","","2357.1","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.0433","0.0399","","","0.0957","0.0978","","","","","","1.126","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506827","18.0978","0.0013","21.7894","0.0016","9.6388","0.0007","90","","90","","90","","3801","0.5","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H24 N4 O20 P4 U2 Zn2 -","- C24 H24 N4 O20 P4 U2 Zn2 -","- C96 H96 N16 O80 P16 U8 Zn8 -","4","1","","Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming","Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures","Crystal Growth & Design","2012","12","9","4669","","10.1021/cg300903w","","","0.71073","MoKα","","0.0814","0.0522","","","0.1221","0.1391","","","","","","1.046","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506914","11.481","0.0007","12.1759","0.0006","12.0078","0.0007","90","","90","","90","","1678.59","0.16","150","2","150","10","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H18 N10 S2 -","- C14 H18 N10 S2 -","- C56 H72 N40 S8 -","4","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0459","0.0428","","","0.1138","0.1162","","","","","","1.054","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506957","10.0692","0.0019","10.54","0.002","23.903","0.005","90","","90","","90","","2536.8","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","3,8-bis-perfluorobuytl-1,10-phenanthroline","","","- C21 H7 Cl3 F18 N2 -","- C21 H7 Cl3 F18 N2 -","- C84 H28 Cl12 F72 N8 -","4","1","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.0566","0.054","","","0.1406","0.1441","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507034","19.7275","0.0018","7.6198","0.0005","9.977","0.0009","90","","90","","90","","1499.7","0.2","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Polymorphic Crystals Formed by an Achiral Diol under Ambient Conditions","Crystal Growth & Design","2012","12","11","5746","","10.1021/cg301259f","","","0.71073","MoKα","","0.0567","0.0393","","","0.0796","0.0873","","","","","","1.013","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507048","18.901","0.003","12.9967","0.0019","4.9373","0.0006","90","","90","","90","","1212.9","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-amino-3-hydroxypyridinium 2,5-dihydroxybenzoate","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0993","0.0502","","","0.0983","0.1071","","","","","","0.813","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507133","20.542","0.0008","14.8692","0.0005","15.0844","0.0006","90","","90","","90","","4607.4","0.3","100","2","100","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C20 Cu F6 Hf N4 O2.5 -","- C20 Cu F6 Hf N4 O2.5 -","- C160 Cu8 F48 Hf8 N32 O20 -","8","2","","Gautier, Romain; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","From Racemic Units to Polar Materials","Crystal Growth & Design","2012","12","12","6267","","10.1021/cg301539q","","x-ray","0.71073","MoKα","","0.0868","0.0518","","","0.1249","0.1399","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507137","11.5487","0.0016","14.419","0.002","15.38","0.002","90","","90","","90","","2561.1","0.6","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H26 Cl3 Cr N3 P -","- C23 H26 Cl3 Cr N3 P -","- C92 H104 Cl12 Cr4 N12 P4 -","4","1","","Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.","Selective Ethylene Tri-/Tetramerization Catalysts","ACS Catalysis","2012","2","12","2452","","10.1021/cs300488t","","","0.71073","MoKα","","0.0613","0.0386","","","0.0802","0.0904","","","","","","1.021","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507149","14.5719","0.0015","17.2445","0.0018","7.3877","0.0008","90","","90","","90","","1856.4","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 Co O4 P -","- C19 H18 Co O4 P -","- C76 H72 Co4 O16 P4 -","4","1","","Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus","Ligand Effects on Reactivity of Cobalt Acyl Complexes","ACS Catalysis","2012","2","12","2512","","10.1021/cs300589n","","","0.71073","MoKα","","0.032","0.0279","","","0.0665","0.0683","","","","","","1.049","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507179","14.052","0.002","29.581","0.005","13.319","0.002","90","","90","","90","","5536.3","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H38 N6 O12 Pb3 -","- C66 H38 N6 O12 Pb3 -","- C264 H152 N24 O48 Pb12 -","4","1","","Li, Lina; Zhang, Shuquan; Han, Liang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","A Non-Centrosymmetric Dual-Emissive Metal‒Organic Framework with Distinct Nonlinear Optical and Tunable Photoluminescence Properties","Crystal Growth & Design","2013","13","1","106","","10.1021/cg301243e","","","0.71073","MoKα","","0.065","0.054","","","0.1256","0.1433","","","","","","1.09","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507212","6.0255","0.0012","7.3836","0.0015","23.049","0.005","90","","90","","90","","1025.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-chlorobenzoate","","- C9 H12 Cl N O3 -","- C9 H12 Cl N O3 -","- C36 H48 Cl4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0319","0.0258","","","0.0556","0.0572","","","","","","1.017","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507213","6.029","0.0012","7.352","0.0015","23.192","0.005","90","","90","","90","","1028","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-bromobenzoate","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C36 H48 Br4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.0185","0.0183","","","0.0543","0.0545","","","","","","1.003","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507214","6.029","0.0012","7.352","0.0015","23.192","0.005","90","","90","","90","","1028","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-iodobenzoate","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C36 H48 I4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0497","0.0494","","","0.1252","0.1255","","","","","","1.019","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507230","30.1777","0.0017","21.4903","0.0016","33.5299","0.0018","90","","90","","90","","21745","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C117 H72 N3 O18 Zn4 -","- C117 H72 N3 O18 Zn4 -","- C468 H288 N12 O72 Zn16 -","4","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Stable Mg-Metal‒Organic Framework (MOF) and Unstable Zn-MOF Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Crystal Growth & Design","2013","13","1","6","","10.1021/cg3013574","","","0.71073","MoKα","","0.1213","0.0681","","","0.1583","0.1788","","","","","","0.91","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507232","13.402","0.002","6.798","0.003","6.9428","0.0007","90","","90","","90","","632.5","0.3","296","2","296","2","","","60000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0746","0.0649","","","0.1197","0.1234","","","","","","1.118","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507233","13.189","0.008","6.7596","0.0011","6.9528","0.0014","90","","90","","90","","619.9","0.4","296","2","296","2","","","160000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1134","0.0989","","","0.2548","0.2635","","","","","","1.237","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507234","13.098","0.015","6.765","0.008","6.963","0.009","90","","90","","90","","617","1.3","293","2","296","2","","","230000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1714","0.1108","","","0.2451","0.2758","","","","","","1.114","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507319","19.395","0.003","6.1309","0.001","27.533","0.004","90","","90","","90","","3273.9","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H24 N2 S -","- C17 H24 N2 S -","- C136 H192 N16 S8 -","8","2","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0721","0.0464","","","0.1222","0.1357","","","","","","1.03","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507559","13.215","0.004","4.7872","0.0008","8.9622","0.0019","90","","90","","90","","567","0.2","293.15","","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","4-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.0923","0.0499","","","0.1296","0.1692","","","","","","1.05","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507652","36.68","0.015","5.819","0.002","33.079","0.014","90","","90","","90","","7060","5","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C67 H70 Cd3 N6 O23 -","- C67 H70 Cd3 N6 O23 -","- C268 H280 Cd12 N24 O92 -","4","1","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.049","0.0429","","","0.104","0.1066","","","","","","1.017","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507675","18.241","0.004","14.868","0.003","19.41","0.004","90","","90","","90","","5264.1","1.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H22 N4 O6 Zn -","- C28 H22 N4 O6 Zn -","- C224 H176 N32 O48 Zn8 -","8","2","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0762","0.0492","","","0.1251","0.1401","","","","","","1.033","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507788","27.693","0.002","6.5838","0.0005","16.1466","0.0012","90","","90","","90","","2943.9","0.4","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H32 N4 O6 -","- C34 H32 N4 O6 -","- C136 H128 N16 O24 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.059","0.0447","","","0.1219","0.1386","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507869","17.211","0.002","22.975","0.003","7.2785","0.001","90","","90","","90","","2878.1","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H20 Cu3 N15 -","- C27 H20 Cu3 N15 -","- C108 H80 Cu12 N60 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0678","0.0416","","","0.0842","0.0969","","","","","","1.024","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507924","21.453","0.002","16.3701","0.0016","10.3056","0.001","90","","90","","90","","3619.2","0.6","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H33 N7 O11 Zn2 -","- C36 H33 N7 O11 Zn2 -","- C144 H132 N28 O44 Zn8 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0474","0.0431","","","0.1027","0.1039","","","","","","1.05","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507986","17.317","0.016","13.148","0.012","9.133","0.009","90","","90","","90","","2079","3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H19 Ag B F4 N5 -","- C16 H19 Ag B F4 N5 -","- C64 H76 Ag4 B4 F16 N20 -","4","1","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.0777","0.0663","","","0.1756","0.1842","","","","","","1.058","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4508048","20.085","0.002","3.7591","0.0004","8.2934","0.001","90","","90","","90","","626.16","0.12","293","2","293","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Clevers, Simon; Simon, Florent; Sanselme, Morgane; Dupray, Valerie; Coquerel, Gerard","Monotropic Transition Mechanism ofm-Hydroxybenzoic Acid Investigated by Temperature-Resolved Second Harmonic Generation","Crystal Growth & Design","2013","13","8","3697","","10.1021/cg400712s","","x-ray","0.71073","MoKα","","0.0332","0.0319","","","0.0859","0.0871","","","","","","1.052","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508068","14.3747","0.0015","23.957","0.003","18.633","0.002","90","","90","","90","","6416.7","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H46 Co5 N0 O28 -","- C54 H38 Co5 O28 -","- C216 H152 Co20 O112 -","4","1","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0439","0.0407","","","0.1233","0.1283","","","","","","1.077","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508108","13.2429","0.001","15.8911","0.0011","22.1933","0.0015","90","","90","","90","","4670.5","0.6","176","2","176","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27.5 H33 N3 O3 -","- C25 H27 N3 O3 -","- C200 H216 N24 O24 -","8","2","","Granger, Brett A.; Wang, Zhiqian; Kaneda, Kyosuke; Fang, Zhenglai; Martin, Stephen F.","Multicomponent Assembly Processes for the Synthesis of DiverseYohimbineandCorynantheAlkaloid Analogues","ACS Combinatorial Science","2013","15","7","379","","10.1021/co400055b","","","0.71075","MoKα","","0.1113","0.0721","","","0.1599","0.1709","","","","","","1.204","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508140","32.783","0.003","4.0815","0.0003","12.4392","0.0007","90","","90","","90","","1664.4","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(malonic acid).bis(nicotinamide) Form I","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.046","0.0386","","","0.1055","0.1107","","","","","","1.093","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508142","8.838","0.003","31.514","0.008","5.252","0.002","90","","90","","90","","1462.8","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(nicotinamide).(pimelic acid) Form II","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.1857","0.0909","","","0.2345","0.3072","","","","","","1.02","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508172","15.387","0.003","6.2734","0.0013","27.363","0.006","90","","90","","90","","2641.3","0.9","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C104 H104 Cl8 N16 O16 S8 -","8","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0482","0.0386","","","0.0987","0.1022","","","","","","1.103","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508208","28.067","0.006","9.837","0.002","9.145","0.0018","90","","90","","90","","2524.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C132 H104 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1447","0.0563","","","0.0864","0.1102","","","","","","1.01","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508209","18.567","0.004","21.868","0.004","5.642","0.0011","90","","90","","90","","2290.8","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1835","0.053","","","0.0562","0.0885","","","","","","0.831","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508509","12.006","0.002","23.51","0.004","8.2207","0.0013","90","","90","","90","","2320.4","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H30 F N O3 -","- C26 H30 F N O3 -","- C104 H120 F4 N4 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.2205","0.0962","","","0.1184","0.1474","","","","","","1.103","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508544","14.1099","0.0003","17.4778","0.0003","5.3403","0.0002","90","","90","","90","","1316.97","0.06","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0345","0.0303","","","0.0686","0.0714","","","","","","1.047","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508614","19.874","0.005","5.1023","0.0012","12.693","0.003","90","","90","","90","","1287.1","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H8 N2 O Se2 -","- C14 H8 N2 O Se2 -","- C56 H32 N8 O4 Se8 -","4","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.079","0.0505","","","0.1274","0.145","","","","","","1.077","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508710","11.5563","0.0012","12.7285","0.0013","3.8875","0.0004","90","","90","","90","","571.83","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-bromo-3-hydroxypyridine","2-bromo-3-hydroxypyridine","","- C5 H4 Br N O -","- C5 H4 Br N O -","- C20 H16 Br4 N4 O4 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0207","0.0198","","","0.0502","0.0507","","","","","","1.041","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508712","11.5329","0.0011","12.8331","0.0012","4.2475","0.0004","90","","90","","90","","628.64","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-iodo-3-hydroxypyridine","2-iodo-3-hydroxypyridine","","- C5 H4 I N O -","- C5 H4 I N O -","- C20 H16 I4 N4 O4 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0173","0.0172","","","0.0456","0.0457","","","","","","1.231","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508715","11.2712","0.0014","12.7754","0.0016","3.7794","0.0005","90","","90","","90","","544.21","0.12","100","","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-chloro-3-hydroxypyridine-N-oxide","2-chloro-3-hydroxypyridine-N-oxide","","- C5 H4 Cl N O2 -","- C5 H4 Cl N O2 -","- C20 H16 Cl4 N4 O8 -","4","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0294","0.0266","","","0.0607","0.0617","","","","","","1.058","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508774","14.51","0.004","9.71","0.003","19.569","0.005","90","","90","","90","","2757.1","1.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C120 H120 N8 O16 S8 -","8","2","","Pauchet, Morgan; Morelli, Thomas; Coste, Servane; Malandain, Jean-Jacques; Coquerel, Gérard","Crystallization of (±)-Modafinil in Gel: Access to Form I, Form III, and Twins","Crystal Growth & Design","2006","6","8","1881","","10.1021/cg060203k","","","0.71073","MoKα","","0.0341","0.0302","","","0.0763","0.0775","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508866","17.645","0.004","15.371","0.003","15.398","0.003","90","","90","","90","","4176.3","1.5","125","2","125","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C48 H56 O9 -","- C48 H56 O9 -","- C192 H224 O36 -","4","1","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.0722","0.0517","","","0.1246","0.1397","","","","","","1.003","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4509180","25.884","0.001","17.649","0.001","15.33","0.001","90","","90","","90","","7003.2","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C216 H122 Cl2 Co2 N12 -","- C108 H61 Cl Co N6 -","- C432 H244 Cl4 Co4 N24 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0676","0.0493","","","0.132","0.1455","","","","","","1.055","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509181","25.646","0.001","18.25","0.001","15.062","0.001","90","","90","","90","","7049.6","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C110 H64 Cl2 Co N5 -","- C110 H64 Cl2 Co N5 -","- C440 H256 Cl8 Co4 N20 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0511","0.0476","","","0.1268","0.1289","","","","","","1.054","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509183","26.17","0.001","17.901","0.001","15.026","0.001","90","","90","","90","","7039.2","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C109.88 H63.88 Cl0.25 Mn N6.88 -","- C109.875 H63.875 Cl0.25 Mn N6.875 -","- C439.5 H255.5 Cl Mn4 N27.5 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0464","0.0393","","","0.1062","0.112","","","","","","1.051","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509185","25.707","0.0011","17.4702","0.0008","15.1678","0.0006","90","","90","","90","","6812","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C108.3 H60.3 Cl1.4 N6.3 Zn -","- C108.3 H60.3 Cl1.4 N6.3 Zn -","- C433.2 H241.2 Cl5.6 N25.2 Zn4 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0735","0.0525","","","0.1061","0.1161","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509186","26.1384","0.0013","17.8964","0.0009","14.9725","0.0008","90","","90","","90","","7003.9","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C109.75 H63.75 Cl0.5 N6.75 Zn -","- C109.75 H63.75 Cl0.5 N6.75 Zn -","- C439 H255 Cl2 N27 Zn4 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0836","0.0542","","","0.1187","0.1344","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509371","7.785","0.0016","10.238","0.002","15.851","0.003","90","","90","","90","","1263.4","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H11 Fe N3 O7 -","- C10 H11 Fe N3 O7 -","- C40 H44 Fe4 N12 O28 -","4","1","","Li, Xia; Wu, Ben-Lai; Niu, Cao-Yuan; Niu, Yun-Yin; Zhang, Hong-Yun","Syntheses of Metal−2-(Pyridin-4-yl)-1H-imidazole-4,5-dicarboxylate Networks with Topological Diversity: Gas Adsorption, Thermal Stability and Fluorescent Emission Properties","Crystal Growth & Design","2009","9","8","3423","","10.1021/cg801321e","","","0.71073","MoKα","","0.0319","0.0273","","","0.0656","0.0686","","","","","","1.026","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509642","22.348","0.003","7.2898","0.0009","27.136","0.003","90","","90","","90","","4420.8","0.9","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H54 N8 O10 S2 -","- C42 H54 N8 O10 S2 -","- C168 H216 N32 O40 S8 -","4","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0489","0.0427","","","0.1087","0.1141","","","","","","1.018","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4510024","26.249","0.003","10.0932","0.0013","47.44","0.006","90","","90","","90","","12569","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C121 H151 N9 O21 Zn2 -","- C116 H132 N8 O20 Zn2 -","- C464 H528 N32 O80 Zn8 -","4","1","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.7749","synchrotron","","0.096","0.0835","","","0.2156","0.2235","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4510188","7.8613","0.001","24.495","0.003","6.1207","0.0008","90","","90","","90","","1178.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H5 N3 S2 -","- C13 H5 N3 S2 -","- C52 H20 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0348","0.0303","","","0.0676","0.0691","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510211","12.7982","0.0008","13.6159","0.0008","7.131","0.0004","90","","90","","90","","1242.64","0.13","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","","0.71073","MoKα","","0.0334","0.0288","","","0.0367","0.037","","","","2","2","1.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510397","21.797","0.005","4.7866","0.0011","31.64","0.007","90","","90","","90","","3301.1","1.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 F6 N2 -","- C19 H14 F6 N2 -","- C152 H112 F48 N16 -","8","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0488","","","","0.125","","","","","","1.051","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510565","9.077","0.007","12.808","0.01","7.145","0.004","90","","90","","90","","830.7","1","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C28 H24 N8 O8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.045","0.0412","","","0.1075","0.1116","","","","","","1.08","","","","has coordinates","191062","2020-10-21","18:00:00",""
"4510621","14.947","0.003","11.1698","0.0019","11.0133","0.0018","90","","90","","90","","1838.7","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","syn-1b","","","- C14 H22 B10 N2 O2 -","- C14 H22 B10 N2 O2 -","- C56 H88 B40 N8 O8 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1112","0.0638","","","0.1263","0.1544","","","","","","0.994","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510919","9.339","0.0007","25.441","0.002","13.7503","0.0011","90","","90","","90","","3267","0.4","150","2","150","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Orcinol:Acridine Hydrate","","","- C20 H18 N O2.5 -","- C20 H18 N O2.5 -","- C160 H144 N8 O20 -","8","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0446","0.041","","","0.0956","0.0976","","","","","","1.06","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510935","7.584","0.004","13.088","0.007","6.198","0.003","90","","90","","90","","615.2","0.5","90","1","90","1","","","","","","","see text","3","P n a 21","P 2c -2n","33","","","","- C8 H5 F -","- C8 H5 F -","- C32 H20 F4 -","4","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.0912","0.0636","","","0.1338","0.1435","","","","","","1.024","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510983","15.215","0.002","5.0455","0.0007","16.937","0.002","90","","90","","90","","1300.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","manganese 2-(1H-imidazole-yl) propinate","","","- C12 H14 Mn N4 O4 -","- C12 H14 Mn N4 O4 -","- C48 H56 Mn4 N16 O16 -","4","1","","Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi","Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid","Crystal Growth & Design","2010","10","5","2355","","10.1021/cg1001368","","","0.71073","MoKα","","0.0297","0.0261","","","0.066","0.0683","","","","","","1.044","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511030","19.524","0.003","7.5482","0.0012","7.9651","0.0013","90","","90","","90","","1173.8","0.3","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","PtCl2(ATQACH2NH2)","","","- C10 H18 Cl2 N2 Pt -","- C10 H18 Cl2 N2 Pt -","- C40 H72 Cl8 N8 Pt4 -","4","1","","Gussenhoven, Emily M.; Jevric, Martyn; Olmstead, Marilyn M.; Fettinger, James C.; Mascal, Mark; Balch, Alan L.","Crystal Packing in Planar Platinum(II) and Palladium(II) Complexes. Hydrogen-Bond-Mediated Supramolecular Assembly of Ten Wedge-Shaped Molecules into a Cyclic Array","Crystal Growth & Design","2009","9","4","1786","","10.1021/cg800906x","","","0.71073","MoKα","","0.0355","0.0275","","","0.0655","0.0687","","","","","","1.069","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511219","9.4513","0.0003","13.6988","0.0015","9.4512","0.0009","90","","90","","90","","1223.66","0.18","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0643","0.042","","","0.0759","0.0808","","","","","","0.921","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4511277","7.578","0.006","13.024","0.014","6.171","0.005","90","","90","","90","","609.1","1","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","2-fluorophenylacetlyene","","- C8 H5 F -","- C8 H5 F -","- C32 H20 F4 -","4","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0788","0.052","","","0.1069","0.1194","","","","","","1.168","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511427","13.178","0.01","12.026","0.009","13.179","0.01","90","","90","","90","","2089","3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H10 N12 O14 -","- C12 H10 N12 O14 -","- C48 H40 N48 O56 -","4","1","","Zhang, Chaoyang; Yang, Zongwei; Zhou, Xiaoqing; Zhang, Chenghua; Ma, Yu; Xu, Jinjiang; Zhang, Qi; Nie, Fude; Li, Hongzhen","Evident Hydrogen Bonded Chains Building CL-20-Based Cocrystals","Crystal Growth & Design","2014","14","8","3923","","10.1021/cg500796r","","","0.71073","MoKα","","0.0465","0.0403","","","0.0923","0.0962","","","","","","1.009","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511481","17.353","0.009","20.233","0.01","18.235","0.009","90","","90","","90","","6402","6","298","2","298","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C33 H36 Ag3 Cl6 F18 N12 S6 Sb3 -","- C33 H36 Ag3 Cl6 F18 N12 S6 Sb3 -","- C132 H144 Ag12 Cl24 F72 N48 S24 Sb12 -","4","1","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Zhao, Xia-Xia; Shen, Da-Zhong; Huang, Ru-Qi","Ag(I) Complexes Generated from Double Schiff-Base Ligand with Thiazole as the Terminal Binding Sites","Crystal Growth & Design","2006","6","11","2475","","10.1021/cg060158g","","","0.71073","MoKα","","0.0768","0.0578","","","0.131","0.1435","","","","","","1.048","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511608","20.4932","0.0008","13.7177","0.0006","27.2481","0.0011","90","","90","","90","","7660","0.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C76 H80.5 Co4 N8 O28.5 -","- C76 H80.5 Co4 N8 O28.5 -","- C304 H322 Co16 N32 O114 -","4","1","","Ke, Szu-Yu; Chang, Ya-Fan; Wang, Hsin-Yu; Yang, Ching-Chun; Ni, Cheng-Wei; Lin, Gu-Ying; Chen, Tzu-Ting; Ho, Mei-Lin; Lee, Gene-Hsiang; Chuang, Yu-Chun; Wang, Chih-Chieh","Self-Assembly of Four Coordination Polymers in Three-Dimensional Entangled Architecture Showing Reversible Dynamic Solid-State Structural Transformation and Color-Changing Behavior upon Thermal Dehydration and Rehydration","Crystal Growth & Design","2014","14","8","4011","","10.1021/cg500620k","","","0.71073","MoKα","","0.0863","0.0586","","","0.1233","0.136","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511702","22.4932","0.0004","7.5119","0.0001","11.9686","0.0002","90","","90","","90","","2022.29","0.06","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Cd2 Cl6 N2 O2 -","- C12 H16 Cd2 Cl6 N2 O2 -","- C48 H64 Cd8 Cl24 N8 O8 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.0469","0.0467","","","0.1248","0.1252","","","","","","1.03","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511709","7.5104","0.001","22.82","0.003","10.8562","0.0014","90","","90","","90","","1860.6","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0224","0.0201","","","0.0505","0.0515","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511769","17.231","0.007","16.772","0.007","20.727","0.008","90","","90","","90","","5990","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H32 N10 O6 S -","- C28 H32 N10 O6 S -","- C224 H256 N80 O48 S8 -","8","2","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.1394","0.0724","","","0.1663","0.2028","","","","","","0.969","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511901","15.2261","0.0005","11.1905","0.0004","17.3055","0.0006","90","","90","","90","","2948.64","0.18","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H40 Cl Ir P2 -","- C32 H40 Cl Ir P2 -","- C128 H160 Cl4 Ir4 P8 -","4","1","","Bézier, David; Brookhart, Maurice","Applications of PC(sp3)P Iridium Complexes in Transfer Dehydrogenation of Alkanes","ACS Catalysis","2014","4","10","3411","","10.1021/cs500892p","","","1.54178","CuKα","","0.0163","0.0161","","","0.0372","0.0373","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511965","11.9504","0.0003","5.3453","0.0002","9.5314","0.0003","90","","90","","90","","608.85","0.03","290","","290","","","","","","","","","4","P n a 21","P 2c -2n","33","Creatine anhydrate form C","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J.","Creatine: Polymorphs Predicted and Found","Crystal Growth & Design","2014","14","10","4895","","10.1021/cg501159c","powder diffraction","","1.54056","CuKα","","","","","","","","","4.1","2.01","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512008","32.407","0.006","9.575","0.0018","12.193","0.002","90","","90","","90","","3783.5","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H38 N2 O12 Zn2 -","- C38 H38 N2 O12 Zn2 -","- C152 H152 N8 O48 Zn8 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0736","0.0476","","","0.0963","0.11","","","","","","1.085","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512060","30.8857","0.0012","16.9408","0.0007","10.3607","0.0004","90","","90","","90","","5421","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C49 H54 Cl2 Hg2 N4 O8 S6 -","- C49 H54 Cl2 Hg2 N4 O8 S6 -","- C196 H216 Cl8 Hg8 N16 O32 S24 -","4","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0497","0.0408","","","0.0902","0.0947","","","","","","1.009","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512304","18.0581","0.0012","10.3454","0.0003","14.9699","0.0005","90","","90","","90","","2796.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H10 Br I2 N -","- C13 H10 Br I2 N -","- C104 H80 Br8 I16 N8 -","8","2","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.0279","0.0251","","","0.0499","0.051","","","","","","1.047","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512335","42.439","0.01","13.969","0.004","33.47","0.008","90","","90","","90","","19842","9","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C159 H122 Cd6 N5 O30 -","- C159 H122 Cd6 N5 O30 -","- C636 H488 Cd24 N20 O120 -","4","1","","Yang, Jie; Wang, Xiaoqing; Wang, Rongming; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Two 2-Fold Interpenetrating Metal‒Organic Frameworks Based on a Trigonal Rigid Ligand","Crystal Growth & Design","2014","14","12","6521","","10.1021/cg501425x","","","0.71073","MoKα","","0.1391","0.0867","","","0.1845","0.2035","","","","","","1.007","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512551","12.4092","0.0002","4.6608","0.0001","11.8316","0.0002","90","","90","","90","","684.3","0.02","20","0.05","20","0.05","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C24 H16 N8 O20 -","4","1","","Cenedese, Simone; Zhurov, Vladimir V.; Pinkerton, A. Alan","Charge Density Analysis of 2,6-Dinitrophenol","Crystal Growth & Design","2015","15","2","875","","10.1021/cg5016725","","","0.71073","MoKα","","0.013","0.012","","","","0.012","","","","","","1.404","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512625","20.1876","0.0005","7.0488","0.0002","19.8165","0.0005","90","","90","","90","","2819.86","0.13","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C64 H136 B80 N8 O8 -","8","2","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0354","0.0349","","","0.0908","0.0914","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512632","7.4141","0.0009","14.2828","0.0015","9.2478","0.0009","90","","90","","90","","979.29","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","0.71073","MoKα","","0.0762","0.0459","","","0.0818","0.0969","","","","","","1.078","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4513167","15.1035","0.0003","9.3287","0.0002","34.9631","0.0006","90","","90","","90","","4926.16","0.17","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H33 N O6 S -","- C25 H33 N O6 S -","- C200 H264 N8 O48 S8 -","8","2","","Lee, Sun Hye; Bae, Jae Ho; Park, Yeojin; Adhikari, Bishal Raj; Mao, Chen; Kim, Daeyoung; Kim, Kyung Im; Kang, Sung Kwon; Lee, Eun Hee","Sulfonic Acid Salts of Donepezil and Stabilization of Amorphous Donepezil via Formation of Amorphous Salts","Crystal Growth & Design","2015","15","7","3123","","10.1021/acs.cgd.5b00074","","","0.71073","MoKα","","0.0721","0.0561","","","0.1251","0.1334","","","","","","1.035","","","","has coordinates","140062","2020-10-21","18:00:00",""
"4513406","18.549","0.003","13.827","0.002","5.3162","0.0007","90","","90","","90","","1363.5","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0512","0.0448","","","0.1147","0.1213","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513792","13.4545","0.0015","13.288","0.0019","7.62149","0.0004","90","","90","","90","","1362.6","0.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","1:1 theophylline pyrazinamide cocrystal Form I","","","- C12 H13 N7 O3 -","- C12 H13 N7 O3 -","- C48 H52 N28 O12 -","4","1","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","powder diffraction","","1.5418","CuKα","","","","","","","","","0.01","5.235","","","","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513952","12.7494","0.0012","28.039","0.003","11.5771","0.0011","90","","90","","90","","4138.6","0.7","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H57 Cl3 N4 Ni O -","- C42 H57 Cl3 N4 Ni O -","- C168 H228 Cl12 N16 Ni4 O4 -","4","1","","Pu, Xinghui; Hu, Jiefeng; Zhao, Yue; Shi, Zhuangzhi","Nickel-Catalyzed Decarbonylative Borylation and Silylation of Esters","ACS Catalysis","2016","6","10","6692","","10.1021/acscatal.6b01956","","","0.71073","MoKα","","0.0653","0.0522","","","0.1218","0.1277","","","","","","1.045","","","","has coordinates","187882","2020-10-21","18:00:00",""
"4513967","25.4511","0.0017","14.4307","0.0009","18.9787","0.0012","90","","90","","90","","6970.4","0.8","193","2","193","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C61.75 H82.75 Au3 B Cl5.25 F4 O P3 -","- C61.75 H82.75 Au3 B Cl5.25 F4 O P3 -","- C247 H331 Au12 B4 Cl21 F16 O4 P12 -","4","1","","Zhu, Yuyang; Zhou, Wentong; Petryna, Ellen M.; Rogers, Brock R.; Day, Cynthia S.; Jones, Amanda C.","Insights into Alkene Activation by Gold: Nucleophile Activation with Base as a Trigger for Generation of Lewis Acidic Gold","ACS Catalysis","2016","","","7357","","10.1021/acscatal.6b01674","","","0.71073","MoKα","","0.0415","0.0349","","","0.0841","0.0877","","","","","","1.043","","","","has coordinates,has disorder","186907","2020-10-21","18:00:00",""
"4514021","24.807","0.003","5.7253","0.0008","32.699","0.004","90","","90","","90","","4644.2","1","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C216 H204 N36 O36 -","12","3","","Huang, Yaodong; Li, Huimin; Li, Ziyan; Zhang, Yan; Cao, Wenwen; Wang, Luyuan; Liu, Shuxue","Unusual C-I···O Halogen Bonding in Triazole Derivatives: Gelation Solvents at Two Extremes of Polarity and Formation of Superorganogels.","Langmuir : the ACS journal of surfaces and colloids","2017","33","1","311","321","10.1021/acs.langmuir.6b03691","","","0.71073","MoKα","","0.0428","0.0377","","","0.0989","0.1032","","","","","","1.027","","","","has coordinates","191281","2020-10-21","18:00:00",""
"4514057","30.3732","0.0014","11.6836","0.0006","7.6516","0.0004","90","","90","","90","","2715.3","0.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H44 Mn N O3 P2 -","- C25 H44 Mn N O3 P2 -","- C100 H176 Mn4 N4 O12 P8 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0386","0.0299","","","0.0575","0.0602","","","","","","1.038","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514322","31.2369","0.0002","44.0844","0.0004","29.4269","0.0002","90","","90","","90","","40522.6","0.5","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H18 B3 N3 O6 -","- C21 H12 B3 N3 O6 -","- C1176 H672 B168 N168 O336 -","56","14","","Sarkar, Koushik; Dastidar, Parthasarathi","Supramolecular Hydrogel Derived from A C3-symmetric Boronic acid Derivative for Stimuli Responsive Release of Insulin and Doxorubicin.","Langmuir : the ACS journal of surfaces and colloids","2017","","","","","10.1021/acs.langmuir.7b03326","","","1.54184","CuKα","","0.0845","0.0789","","","0.2165","0.221","","","","","","1.029","","","","has coordinates","204549","2020-10-21","18:00:00",""
"4514354","28.2857","0.0008","7.9962","0.0002","15.1492","0.0004","90","","90","","90","","3426.42","0.16","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H36 Fe N3 O3 P S4 -","- C33 H36 Fe N3 O3 P S4 -","- C132 H144 Fe4 N12 O12 P4 S16 -","4","1","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.0545","0.0484","","","0.0842","0.0857","","","","","","1.288","","","","has coordinates","206133","2020-10-21","18:00:00",""
"4514424","15.0653","0.0013","14.1204","0.0012","8.6201","0.0008","90","","90","","90","","1833.7","0.3","128","2","128","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Bi I5 N2 -","- C6 H18 Bi I5 N2 -","- C24 H72 Bi4 I20 N8 -","4","1","","Fabian, David M.; Ganose, Alex M.; Ziller, Joseph W.; Scanlon, David O.; Beard, Matthew C.; Ardo, Shane","Influence of One Specific Carbon‒Carbon Bond on the Quality, Stability, and Photovoltaic Performance of Hybrid Organic‒Inorganic Bismuth Iodide Materials","ACS Applied Energy Materials","2019","2","3","1579","","10.1021/acsaem.8b01809","","","0.71073","MoKα","","0.029","0.0282","","","0.0644","0.0646","","","","","","1.15","","","","has coordinates","219528","2020-10-21","18:00:00",""
"4514485","7.2756","0.0004","15.23","0.0007","10.5556","0.0006","90","","90","","90","","1169.64","0.11","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H14 N2 O Se -","- C11 H14 N2 O Se -","- C44 H56 N8 O4 Se4 -","4","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.0734","0.0431","","","0.0906","0.1037","","","","","","1.004","","","","has coordinates","219673","2020-10-21","18:00:00",""
"4514564","18.7736","0.0014","3.963","0.0003","16.317","0.001","90","","90","","90","","1213.98","0.15","120","2","120","2","","","","","","","synthesized by the authors","3","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Procházková, Eliška; Cao, Cheng; Rawal, Aditya; Dračínský, Martin; Bhattacharyya, Saroj; Císařová, Ivana; Hook, James M.; Stenzel, Martina H.","Polymorphic Transformation of Drugs Induced by Glycopolymeric Vesicles Designed for Anticancer Therapy Probed by Solid-State NMR Spectroscopy.","ACS applied materials & interfaces","2019","11","31","28278","28288","10.1021/acsami.9b05514","","","1.54178","CuKα","","0.0632","0.0583","","","0.1383","0.1407","","","","","","1.138","","","","has coordinates","219749","2020-10-21","18:00:00",""
"4514653","14.623","0.003","15.131","0.003","12.874","0.003","90","","90","","90","","2848.5","1","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H43 B Br Fe N2 O3 P4 -","- C19 H43 B Br Fe N2 O3 P4 -","- C76 H172 B4 Br4 Fe4 N8 O12 P16 -","4","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0736","0.0649","","","0.1729","0.1786","","","","","","1.078","","","","has coordinates,has disorder","219831","2020-10-21","18:00:00",""
"4514660","22.7385","0.0008","13.1551","0.0005","9.5634","0.0003","90","","90","","90","","2860.67","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","ep371-3","","","- C24 H42 F6 N2 P2 Ru -","- C24 H42 F6 N2 P2 Ru -","- C96 H168 F24 N8 P8 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0702","0.0675","","","0.1755","0.1768","","","","","","1.218","","","","has coordinates","219838","2020-10-21","18:00:00",""
"4514713","16.7529","0.0001","10.1199","0.0001","14.6061","0.0001","90","","90","","90","","2476.28","0.03","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H30 Br Ni P -","- C28 H30 Br Ni P -","- C112 H120 Br4 Ni4 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.026","0.0221","","","0.0573","0.0595","","","","","","1.045","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514785","9.7201","0.0004","26.2838","0.001","5.4483","0.0002","90","","90","","90","","1391.94","0.09","173","0.1","173","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.0598","0.0495","","","0.1244","0.1435","","","","","","1.114","","","","has coordinates","219945","2020-10-21","18:00:00",""
"4514786","7.5559","0.0005","13.9087","0.0012","11.4271","0.0007","90","","90","","90","","1200.91","0.15","173","0.1","173","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.1727","0.1656","","","0.3673","0.394","","","","","","1.791","","","","has coordinates","219946","2020-10-21","18:00:00",""
"4514791","14.0443","0.0003","8.9519","0.0002","34.5515","0.0011","90","","90","","90","","4343.92","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","25 in manuscript","","","- C25 H22 I O P -","- C25 H22 I O P -","- C200 H176 I8 O8 P8 -","8","2","","Zhang, Lumin; Si, Xiaojia; Yang, Yangyang; Witzel, Sina; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Reductive C‒C Coupling by Desulfurizing Gold-Catalyzed Photoreactions","ACS Catalysis","2019","9","7","6118","","10.1021/acscatal.9b01368","","","1.54178","CuKα","","0.0508","0.0491","","","0.1343","0.1369","","","","","","1.033","","","","has coordinates","219951","2020-10-21","18:00:00",""
"4514811","25.8841","0.001","7.333","0.0002","6.343","0.0002","90","","90","","90","","1203.95","0.07","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A.","Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis","ACS Catalysis","2019","9","9","8835","","10.1021/acscatal.9b02458","","","0.71073","MoKα","","0.0394","0.0343","","","0.0776","0.0804","","","","","","1.044","","","","has coordinates","219972","2020-10-21","18:00:00",""
"4514822","23.054","0.002","8.4318","0.0009","7.3235","0.0007","90","","90","","90","","1423.6","0.2","253","2","253","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1097","0.1012","","","0.2707","0.2796","","","","","","1.041","","","","has coordinates","219983","2020-10-21","18:00:00",""
"4514825","23.1742","0.0003","9.9101","0.0001","9.2756","0.0001","90","","90","","90","","2130.22","0.04","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 Cl Cu N3 O4 -","- C19 H28 Cl Cu N3 O4 -","- C76 H112 Cl4 Cu4 N12 O16 -","4","1","","Hunt, Andrew P.; Batka, Allison E.; Hosseinzadeh, Marjan; Gregory, Jordan D.; Haque, Halima K.; Ren, Hang; Meyerhoff, Mark E.; Lehnert, Nicolai","Nitric Oxide Generation On Demand for Biomedical Applications via Electrocatalytic Nitrite Reduction by Copper BMPA- and BEPA-Carboxylate Complexes.","ACS catalysis","2019","9","9","7746","7758","10.1021/acscatal.9b01520","","","1.54184","CuKα","","0.0437","0.0434","","","0.1224","0.1228","","","","","","1.051","","","","has coordinates","219986","2020-10-21","18:00:00",""
"4514889","7.6912","0.0012","23.747","0.004","7.518","0.0013","90","","90","","90","","1373.1","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N S -","- C16 H12 Cl N S -","- C64 H48 Cl4 N4 S4 -","4","1","","Wang, Huamin; Li, Yongli; Lu, Qingquan; Yu, Mingming; Bai, Xudong; Wang, Shengchun; Cong, Hengjiang; Zhang, Heng; Lei, Aiwen","Oxidation-Induced β-Selective C‒H Bond Functionalization: Thiolation and Selenation of N-Heterocycles","ACS Catalysis","2019","9","3","1888","","10.1021/acscatal.8b05054","","","1.54178","CuKα","","0.052","0.0516","","","0.1498","0.1504","","","","","","1.155","","","","has coordinates","220047","2020-10-21","18:00:00",""
"4514927","19.76","0.004","10.1","0.002","14.58","0.003","90","0.03","90","0.03","90","0.03","2909.8","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[1,1?-Bis(diphenylphosphino)ferrocene]dichloronickel(II)","","- C136 H112 Cl8 Fe4 Ni4 P8 -","- C136 H112 Cl8 Fe4 Ni4 P8 -","- C136 H112 Cl8 Fe4 Ni4 P8 -","1","0.25","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1239","0.1125","","","0.2599","0.274","","","","","","1.583","","","","has coordinates","220089","2020-10-21","18:00:00",""
"4514985","10.5546","0.0007","16.9428","0.001","21.5166","0.0014","90","","90","","90","","3847.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H33 Br2 N O4 -","- C48 H33 Br2 N O4 -","- C192 H132 Br8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.085","0.0424","","","0.0834","0.0922","","","","","","1.015","","","","has coordinates","220139","2020-10-21","18:00:00",""
"4514986","9.4168","0.0005","16.9448","0.0009","22.316","0.0011","90","","90","","90","","3560.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H31 F2 N O4 -","- C47 H31 F2 N O4 -","- C188 H124 F8 N4 O16 -","4","1","","Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo","Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).","ACS omega","2019","4","8","13553","13569","10.1021/acsomega.9b01960","","","0.71073","MoKα","","0.1216","0.0553","","","0.1127","0.1406","","","","","","1.02","","","","has coordinates,has disorder","220139","2020-10-21","18:00:00",""
"4515089","19.826","0.005","7.239","0.0018","41.11","0.01","90","","90","","90","","5900","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C184 H160 Cu8 F96 N24 O48 -","8","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1763","0.0783","","","0.1552","0.1933","","","","","","1.026","","","","has coordinates,has disorder","220213","2020-10-21","18:00:00",""
"4515091","20.839","0.004","9.6376","0.0018","28.997","0.006","90","","90","","90","","5824","2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H20 Cu F12 N3 O6 -","- C23 H20 Cu F12 N3 O6 -","- C184 H160 Cu8 F96 N24 O48 -","8","2","","Sherstobitova, Tatiana; Maryunina, Kseniya; Tolstikov, Svyatoslav; Letyagin, Gleb; Romanenko, Galina; Nishihara, Sadafumi; Inoue, Katsuya","Ligand Structure Effects on Molecular Assembly and Magnetic Properties of Copper(II) Complexes with 3-Pyridyl-Substituted Nitronyl Nitroxide Derivatives","ACS Omega","2019","4","17","17160","","10.1021/acsomega.9b01575","","","0.71073","MoKα","","0.1193","0.0689","","","0.1484","0.1772","","","","","","1.063","","","","has coordinates,has disorder","220215","2020-10-21","18:00:00",""
"4515128","6.8236","0.0006","18.8561","0.0017","7.845","0.0006","90","","90","","90","","1009.39","0.15","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Borthakur, Upasana; Biswas, Subhamoy; Saikia, Anil K.","Vinylsilanes in Highly Diastereo- and Regio-Selective Synthesis of Dihydropyrans.","ACS omega","2019","4","2","2630","2636","10.1021/acsomega.8b03635","","","0.71073","MoKα","","0.0687","0.0524","","","0.1482","0.165","","","","","","1.083","","","","has coordinates","220242","2020-10-21","18:00:00",""
"4515164","22.5345","0.0008","8.6074","0.0003","11.1107","0.0004","90","","90","","90","","2155.07","0.13","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","Nickel(II) Strontium(II) dimethoxysalen","","- C18 H20 N4 Ni O11 Sr -","- C18 H20 N4 Ni O11 Sr -","- C72 H80 N16 Ni4 O44 Sr4 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0285","0.0235","","","0.0506","0.052","","","","","","0.99","","","","has coordinates","220266","2020-10-21","18:00:00",""
"4515168","22.7055","0.0005","8.6682","0.0005","11.1732","0.0014","90","","90","","90","","2199.1","0.3","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","Copper(II) Strontium(II) dimethoxysalen","","- C18 H20 Cu N4 O11 Sr -","- C18 H20 Cu N4 O11 Sr -","- C72 H80 Cu4 N16 O44 Sr4 -","4","1","","Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.","Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.","ACS omega","2019","4","6","10231","10242","10.1021/acsomega.9b00365","","x-ray","0.71073","MoKα","","0.0662","0.0395","","","0.0826","0.093","","","","","","1.031","","","","has coordinates","220270","2020-10-21","18:00:00",""
"4515192","14.50238","0.00013","21.17437","0.00016","21.92873","0.00017","90","","90","","90","","6733.85","0.09","140","0.1","140","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C81 H56 B4 Cl4 N4 O8 -","- C81 H56 B4 Cl4 N4 O8 -","- C324 H224 B16 Cl16 N16 O32 -","4","1","","Stephens, Alexander J.; Scopelliti, Rosario; Tirani, Farzaneh Fadaei; Solari, Euro; Severin, Kay","Crystalline Polymers Based on Dative Boron‒Nitrogen Bonds and the Quest for Porosity","ACS Materials Letters","2019","1","1","3","","10.1021/acsmaterialslett.9b00054","","x-ray","1.54184","CuKα","","0.074","0.0666","","","0.1891","0.1987","","","","","","1.057","","","","has coordinates,has disorder","220294","2020-10-21","18:00:00",""
"4515305","16.5267","0.0006","10.5283","0.0003","18.7054","0.0006","90","","90","","90","","3254.7","0.18","304","2","304","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C45 H29 N5 -","- C45 H29 N5 -","- C180 H116 N20 -","4","1","","Oh, Chan Seok; Pereira, Daniel de Sa; Han, Si Hyun; Park, Hee-Jun; Higginbotham, Heather F.; Monkman, Andrew P.; Lee, Jun Yeob","Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.","ACS applied materials & interfaces","2018","10","41","35420","35429","10.1021/acsami.8b10595","","","0.71073","MoKα","","0.0757","0.045","","","0.0871","0.0973","","","","","","1.099","","","","has coordinates","225472","2020-10-21","18:00:00",""
"4515550","33.95","0.005","8.4972","0.0012","7.9321","0.001","90","","90","","90","","2288.3","0.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H22 N2 O3 S -","- C27 H22 N2 O3 S -","- C108 H88 N8 O12 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0667","0.0427","","","0.0864","0.0975","","","","","","1.067","","","","has coordinates","225707","2020-10-21","18:00:00",""
"4515555","19.738","0.004","5.4134","0.0011","11.384","0.002","90","","90","","90","","1216.4","0.4","113.15","","113.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H17 B Cl N O -","- C11 H17 B Cl N O -","- C44 H68 B4 Cl4 N4 O4 -","4","1","","Yang, Ji-Min; Zhao, Yu-Tao; Li, Zi-Qi; Gu, Xue-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Gold-Catalyzed Oxidative Coupling of Terminal Alkynes and Borane Adducts: Efficient Synthesis of α-Boryl Ketones","ACS Catalysis","2018","8","8","7351","","10.1021/acscatal.8b02052","","","0.71073","MoKα","","0.0333","0.0313","","","0.0726","0.0739","","","","","","1.042","","","","has coordinates","225712","2020-10-21","18:00:00",""
"4515610","14.4042","0.0014","3.8522","0.0004","14.6641","0.0014","90","","90","","90","","813.68","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0432","0.0378","","","0.0891","0.0916","","","","","","1.066","","","","has coordinates","225754","2020-10-21","18:00:00",""
"4515649","32.802","0.005","8.4124","0.0014","10.9145","0.0015","90","","90","","90","","3011.8","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H42 N2 O4 S2 -","- C30 H42 N2 O4 S2 -","- C120 H168 N8 O16 S8 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.2129","0.0894","","","0.1912","0.2245","","","","","","0.996","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515658","13.7551","0.0017","18.856","0.002","8.4263","0.0009","90","","90","","90","","2185.5","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cl2 Fe N9 O2 -","- C16 H21 Cl2 Fe N9 O2 -","- C64 H84 Cl8 Fe4 N36 O8 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.094","0.0664","","","0.1503","0.1609","","","","","","1.108","","","","has coordinates","225796","2020-10-21","18:00:00",""
"4515733","16.3382","0.0007","16.5805","0.0007","10.4655","0.0005","90","","90","","90","","2835.1","0.2","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H36 Cl2 F3 N Ru S -","- C28 H36 Cl2 F3 N Ru S -","- C112 H144 Cl8 F12 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0235","0.0201","","","0.0423","0.0438","","","","","","1.004","","","","has coordinates","225858","2020-10-21","18:00:00",""
"4515772","10.5957","0.0009","18.8441","0.0017","7.6415","0.0005","90","","90","","90","","1525.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min","Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis","ACS Catalysis","2018","8","12","11827","","10.1021/acscatal.8b04163","","","0.71073","MoKα","","0.0607","0.0469","","","0.0947","0.1048","","","","","","1.064","","","","has coordinates","225897","2020-10-21","18:00:00",""
"4515825","17.4154","0.0014","17.0027","0.0015","9.3236","0.0008","90","","90","","90","","2760.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H24 N6 O4 Ru -","- C31 H24 N6 O4 Ru -","- C124 H96 N24 O16 Ru4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0344","0.0266","","","0.058","0.0607","","","","","","1.035","","","","has coordinates","225927","2020-10-21","18:00:00",""
"4515837","29.879","0.006","10.897","0.002","9.1788","0.0018","90","","90","","90","","2988.5","1","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H27 Cl2 N3 O3 S -","- C31 H27 Cl2 N3 O3 S -","- C124 H108 Cl8 N12 O12 S4 -","4","1","","Parhizkar, Golnaz; Khosropour, Ahmad Reza; Mohammadpoor-Baltork, Iraj; Parhizkar, Elahehnaz; Amiri Rudbari, Hadi","CsF-Catalyzed Transannulation Reaction of Oxazolones: Diastereoselective Synthesis of Diversified trans- N-(6-Oxo-1,4,5,6-tetrahydropyrimidin-5-yl)benzamides with Arylidene Azlactones and Amidines.","ACS combinatorial science","2018","20","6","358","365","10.1021/acscombsci.8b00027","","","0.71073","MoKα","","0.0945","0.0348","","","0.058","0.0686","","","","","","0.631","","","","has coordinates,has disorder","225937","2020-10-21","18:00:00",""
"4516025","14.7426","0.0006","8.5735","0.0003","19.6079","0.0008","90","","90","","90","","2478.35","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H31 Cl2 N3 Pd -","- C24 H31 Cl2 N3 Pd -","- C96 H124 Cl8 N12 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71073","MoKα","","0.0973","0.0522","","","0.0875","0.1029","","","","","","1.005","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516132","12.7702","0.0017","28.911","0.003","5.2268","0.0006","90","","90","","90","","1929.7","0.4","293","2","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N6 -","- C23 H18 N6 -","- C92 H72 N24 -","4","1","","Banerji, Biswadip; Chandrasekhar, Kadaiahgari; Sreenath, Kancham; Roy, Saheli; Nag, Sayoni; Saha, Krishna Das","Synthesis of Triazole-Substituted Quinazoline Hybrids for Anticancer Activity and a Lead Compound as the EGFR Blocker and ROS Inducer Agent.","ACS omega","2018","3","11","16134","16142","10.1021/acsomega.8b01960","","","0.71073","MoKα","","0.1005","0.041","","","0.0853","0.1004","","","","","","0.96","","","","has coordinates","226133","2020-10-21","18:00:00",""
"4516144","17.286","0.002","8.3835","0.0011","14.2909","0.0019","90","","90","","90","","2071","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H17 I O3 S -","- C22 H17 I O3 S -","- C88 H68 I4 O12 S4 -","4","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0408","0.0383","","","0.0912","0.0937","","","","","","1.061","","","","has coordinates","226139","2020-10-21","18:00:00",""
"4516175","11.0189","0.0003","5.6659","0.0002","46.0573","0.0015","90","","90","","90","","2875.45","0.16","150","2","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","2","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","","1.54184","CuKα","","0.0308","0.0288","","","0.0699","0.0722","","","","","","1.059","","","","has coordinates","226166","2020-10-21","18:00:00",""
"4516247","28.119","0.007","13.086","0.003","9.328","0.002","90","","90","","90","","3432.4","1.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H57 O3 P -","- C39 H57 O3 P -","- C156 H228 O12 P4 -","4","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0317","0.0295","","","0.0771","0.0783","","","","","","1.037","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516267","19.796","0.004","17.583","0.004","23.652","0.005","90","","90","","90","","8233","3","90","","90","","","","","","","","Synthesized","5","P n a 21","P 2c -2n","33","","","","- C34 H51 N O10 S -","- C34 H51 N O10 S -","- C272 H408 N8 O80 S8 -","8","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0605","0.0588","","0.1297","0.1293","0.1296","","","","","","0.9767","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516342","11.7036","0.0007","9.502","0.0004","3.8171","0.0003","90","","90","","90","","424.49","0.05","280","0.1","280","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0505","0.0408","","","0.0992","0.1036","","","","","","1.097","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516343","11.687","0.004","9.497","0.003","3.7988","0.0013","90","","90","","90","","421.6","0.2","260","0.1","260","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1143","0.0572","","","0.1114","0.1409","","","","","","1.051","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516344","11.682","0.004","9.492","0.003","3.7897","0.0012","90","","90","","90","","420.2","0.2","250","0.1","250","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1053","0.0505","","","0.1007","0.1268","","","","","","1.033","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516345","11.666","0.004","9.487","0.003","3.785","0.0012","90","","90","","90","","418.9","0.2","240","0.1","240","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1072","0.0556","","","0.1181","0.1486","","","","","","1.079","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516346","11.66","0.003","9.479","0.003","3.7837","0.0012","90","","90","","90","","418.2","0.2","235","0.1","235","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1077","0.054","","","0.1032","0.1274","","","","","","1.009","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516347","11.66","0.003","9.48","0.003","3.7771","0.001","90","","90","","90","","417.5","0.2","230","0.1","230","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1001","0.0496","","","0.0877","0.1093","","","","","","1.068","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516348","11.664","0.003","9.479","0.003","3.7749","0.0011","90","","90","","90","","417.4","0.2","225","0.1","225","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0962","0.0495","","","0.0959","0.1199","","","","","","1.023","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516349","11.659","0.003","9.479","0.003","3.7704","0.001","90","","90","","90","","416.7","0.2","220","0.1","220","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0978","0.0558","","","0.1126","0.1334","","","","","","1.006","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516350","11.651","0.003","9.475","0.003","3.7623","0.001","90","","90","","90","","415.3","0.2","210","0.1","210","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.093","0.0484","","","0.0959","0.1165","","","","","","1.022","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516351","11.6379","0.0005","9.4709","0.0003","3.7529","0.00018","90","","90","","90","","413.65","0.03","200","0.1","200","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0329","0.0312","","","0.0872","0.088","","","","","","1.107","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516352","11.665","0.003","9.483","0.003","3.774","0.0012","90","","90","","90","","417.5","0.2","222.5","0.1","222.5","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1095","0.0566","","","0.1153","0.1424","","","","","","1.059","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516353","11.665","0.004","9.484","0.004","3.7782","0.0013","90","","90","","90","","418","0.3","227.5","0.1","227.5","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1161","0.0579","","","0.1077","0.1377","","","","","","1.073","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516354","11.673","0.005","9.484","0.004","3.7782","0.0011","90","","90","","90","","418.3","0.3","232.5","0.1","232.5","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1304","0.0638","","","0.1206","0.1655","","","","","","1.093","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516355","11.667","0.006","9.491","0.005","3.7874","0.0015","90","","90","","90","","419.4","0.4","245","0.1","245","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1697","0.063","","","0.1161","0.1665","","","","","","1.034","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516356","11.699","0.002","9.5","0.0019","3.8295","0.0008","90","","90","","90","","425.61","0.14","295","2","295","2","","","320000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0708","0.0421","","","0.0806","0.0913","","","","","","1.087","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516357","11.574","0.002","9.4736","0.0019","3.7485","0.0007","90","","90","","90","","411.01","0.13","295","2","295","2","","","520000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0338","0.0277","","","0.0726","0.077","","","","","","1.123","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516358","11.463","0.002","9.445","0.0019","3.6821","0.0007","90","","90","","90","","398.65","0.13","295","2","295","2","","","710000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0419","0.0289","","","0.0332","0.0361","","","","","","1.102","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516359","11.443","0.009","9.437","0.007","3.682","0.002","90","","90","","90","","397.6","0.5","295","2","295","2","","","730000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0629","0.0393","","","0.0982","0.1108","","","","","","1.127","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516451","12.2259","0.0005","23.8611","0.0011","4.647","0.0002","90","","90","","90","","1355.64","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C64 H48 N8 S4 -","4","1","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.0531","0.0406","","","0.0859","0.0914","","","","","","1.026","","","","has coordinates","231330","2020-10-21","18:00:00",""
"4516538","7.2698","0.0013","20.125","0.004","18.948","0.003","90","","90","","90","","2772.2","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H27 Cu3 N5 O16 S -","- C21 H17 Cu3 N5 O16 S -","- C84 H68 Cu12 N20 O64 S4 -","4","1","","Banerjee, Kaustuv; Roy, Sandipan; Kotal, Moumita; Biradha, Kumar","Coordination Polymers Containing Tubular, Layered, and Diamondoid Networks: Redox, Luminescence, and Electron Paramagnetic Resonance Activities","Crystal Growth & Design","2015","15","11","5604","","10.1021/acs.cgd.5b01329","","","0.71073","MoKα","","0.1958","0.0662","","","0.1399","0.1799","","","","","","0.815","","","","has coordinates","231371","2020-10-21","18:00:00",""
"4516660","15.896","0.003","8.7193","0.0014","25.283","0.004","90","","90","","90","","3504.3","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H15 Cl F3 N O5 -","- C17 H15 Cl F3 N O5 -","- C136 H120 Cl8 F24 N8 O40 -","8","2","","Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan","Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam","ACS Catalysis","2015","5","5","2826","","10.1021/acscatal.5b00311","","","0.71073","MoKα","","0.0499","0.0418","","","0.1156","0.1221","","","","","","1.04","","","","has coordinates","239437","2020-10-21","18:00:00",""
"4516668","21.7779","0.0004","23.4319","0.0016","9.6235","0.0002","90","","90","","90","","4910.8","0.4","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H49 Cl4 N5 P2 Ru -","- C57 H49 Cl4 N5 P2 Ru -","- C228 H196 Cl16 N20 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0855","0.0793","","","0.2204","0.2324","","","","","","1.129","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516677","16.9958","0.0007","10.2025","0.0005","17.6294","0.0007","90","","90","","90","","3056.9","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H33 Fe N5 -","- C38 H33 Fe N5 -","- C152 H132 Fe4 N20 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0442","0.0348","","","0.0782","0.0818","","","","","","1.021","","","","has coordinates","239446","2020-10-21","18:00:00",""
"4516689","8.233","0.004","13.912","0.006","15.188","0.007","90","","90","","90","","1739.6","1.4","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H15 P S -","- C22 H15 P S -","- C88 H60 P4 S4 -","4","1","","Unoh, Yuto; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Rhodium(III)-Catalyzed Direct Coupling of Arylphosphine Derivatives with Heterobicyclic Alkenes: A Concise Route to Biarylphosphines and Dibenzophosphole Derivatives","ACS Catalysis","2015","5","11","6634","","10.1021/acscatal.5b01896","","","0.71075","MoKα","","","0.0372","","","","0.0953","","","","","","1.098","","","","has coordinates","239458","2020-10-21","18:00:00",""
"4516729","9.133","0.004","21.693","0.002","12.682","0.005","90","","90","","90","","2512.6","1.5","198","","198","","","","","","","","see text","7","P n a 21","P 2c -2n","33","","","","- C18 H42 Cl3 N O Pd S -","- C18 H42 Cl3 N O Pd S -","- C72 H168 Cl12 N4 O4 Pd4 S4 -","4","1","","Schroeter, Felix; Soellner, Johannes; Strassner, Thomas","Cross-Coupling Catalysis by an Anionic Palladium Complex","ACS Catalysis","2017","7","4","3004","","10.1021/acscatal.6b03655","","x-ray","0.71073","MoKα","","0.0583","0.0366","","","0.0501","0.0535","","","","","","1.121","","","","has coordinates","239491","2020-10-21","18:00:00",""
"4516737","13.029","0.005","31.24","0.011","9.883","0.002","90","","90","","90","","4023","2","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H53 B2 N O8 -","- C42 H53 B2 N O8 -","- C168 H212 B8 N4 O32 -","4","1","","Chong, Che Chang; Rao, Bin; Kinjo, Rei","Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C‒C Coupling with Nitriles","ACS Catalysis","2017","7","9","5814","","10.1021/acscatal.7b01338","","","0.71073","MoKα","","0.0987","0.0623","","","0.1267","0.1443","","","","","","1.022","","","","has coordinates","239498","2020-10-21","18:00:00",""
"4516810","21.51","0.009","9.12","0.004","13.069","0.005","90","","90","","90","","2563.8","1.8","93","","93","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H42 Ni O P2 -","- C26 H42 Ni O P2 -","- C104 H168 Ni4 O4 P8 -","4","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.039","0.0362","","","0.0744","0.0763","","","","","","1.058","","","","has coordinates","239559","2020-10-21","18:00:00",""
"4516912","8.281","0.003","27.212","0.008","5.4812","0.0016","90","","90","","90","","1235.1","0.7","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 Br N2 -","- C15 H11 Br N2 -","- C60 H44 Br4 N8 -","4","1","","Reddy, N. Naresh Kumar; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa","Catalyst-Free Synthesis of 2,4-Disubstituted-1<i>H</i>-imidazoles through [3 + 2] Cyclization of Vinyl Azides with Amidines.","ACS omega","2017","2","8","5235","5241","10.1021/acsomega.7b00969","","","0.71073","MoKα","","0.0876","0.0576","","","0.1238","0.1334","","","","","","0.969","","","","has coordinates","239627","2020-10-21","18:00:00",""
"4516917","19.6145","0.0005","15.4076","0.0004","16.3628","0.0004","90","","90","","90","","4945","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(Δ,Λ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))zinc(ii) diperchlorate acetonitrile solvate","","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C36 H50 Cl2 N10 O8 S4 Zn3 -","- C144 H200 Cl8 N40 O32 S16 Zn12 -","4","1","","Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.","Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.","ACS omega","2017","2","10","6391","6404","10.1021/acsomega.7b01087","","","1.54178","CuKα","","0.0191","0.0189","","","0.049","0.0491","","","","","","1.072","","","","has coordinates","239632","2020-10-21","18:00:00",""
"4516962","14.7048","0.0011","5.6391","0.0004","21.9019","0.0016","90","","90","","90","","1816.1","0.2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","2","","Kundu, Arunangshu; Saikia, Swagata; Majumder, Manoj; Sengupta, Oindrila; Bhattacharya, Biswajit; De, Gobinda Chandra; Ghosh, Sushobhan","New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates.","ACS omega","2019","4","3","5221","5232","10.1021/acsomega.9b00101","","","0.71073","MoKα","","0.0748","0.0574","","","0.1499","0.1683","","","","","","1.065","","","","has coordinates,has disorder","239657","2020-10-21","18:00:00",""
"4517054","14.4006","0.0003","22.0313","0.0005","23.8677","0.0005","90","","90","","90","","7572.4","0.3","120","2","120","2","","","","","","","Jose Giner Planas","7","P n a 21","P 2c -2n","33","","","","- C20 H44 B20 Cl2 Co N2 O3 -","- C20 H44 B20 Cl2 Co N2 O3 -","- C160 H352 B160 Cl16 Co8 N16 O24 -","8","2","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.0991","0.0736","","","0.1677","0.1812","","","","","","1.056","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517173","16.2264","0.0008","9.3716","0.0004","17.7053","0.001","90","","90","","90","","2692.4","0.2","100.1","","100.1","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H29 N2 O2 P Ru -","- C33 H29 N2 O2 P Ru -","- C132 H116 N8 O8 P4 Ru4 -","4","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.016","0.0155","","","0.0408","0.0412","","","","","","1.034","","","","has coordinates","245067","2020-10-21","18:00:00",""
"4517256","19.3777","0.0007","9.5631","0.0003","18.9111","0.0007","90","","90","","90","","3504.4","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C13 H17 N11 O S -","- C13 H17 N11 O S -","- C104 H136 N88 O8 S8 -","8","2","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0303","0.03","","","0.0796","0.08","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","245515","2020-10-21","18:00:00",""
"4517453","23.9369","0.0006","9.0172","0.0002","33.4311","0.0008","90","","90","","90","","7215.9","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H31 F6 Ir N4 O P -","- C38 H31 F6 Ir N4 O P -","- C304 H248 F48 Ir8 N32 O8 P8 -","8","2","","Lin, Nan; Ou, Hui-Dan; Xu, Qiyan; Jin, Yan; Deng, Wei; Yao, Zi-Jian","An Efficient Probe of Cyclometallated Phosphorescent Iridium Complex for Selective Detection of Cyanide","ACS Omega","2020","","","","","10.1021/acsomega.9b04364","","","1.34138","GaKα","","0.0512","0.0393","","","0.0882","0.0933","","","","","","1.014","","","","has coordinates","248529","2020-10-21","18:00:00",""
"4517544","15.6405","0.0014","3.9355","0.0004","18.191","0.002","90","","90","","90","","1119.7","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","1","","Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter","Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.","ACS omega","2020","5","15","8912","8918","10.1021/acsomega.0c00562","","","0.71073","MoKα","","0.0314","0.0274","","","0.0618","0.0632","","","","","","1.043","","","","has coordinates","251431","2020-10-21","18:00:00",""
"4517801","31.9947","0.0006","9.10191","0.00015","14.9567","0.0003","90","","90","","90","","4355.58","0.14","120.01","0.18","120.01","0.18","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H48 Br6 Cs3 O12 Sb -","- C24 H48 Br6 Cs3 O12 Sb -","- C96 H192 Br24 Cs12 O48 Sb4 -","4","1","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0486","0.0423","","","0.0936","0.0971","","","","","","1.106","","","","has coordinates","257090","2020-10-21","18:00:00",""
"4517840","7.6102","0.001","5.5255","0.0006","14.639","0.002","90","","90","","90","","615.57","0.13","100.01","0.1","100.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","Indole","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0561","0.0494","","","0.1208","0.1272","","","","","","1.107","","","","has coordinates,has disorder","254764","2020-10-21","18:00:00",""
"4517841","9.3176","0.0007","5.2878","0.0004","14.2479","0.0013","90","","90","","90","","701.99","0.1","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","7-Methylindole","","- C9 H9 N -","- C9 H9 N -","- C36 H36 N4 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.0566","0.0389","","","0.0784","0.089","","","","","","1.074","","","","has coordinates,has disorder","254764","2020-10-21","18:00:00",""
"4517846","8.452","0.0003","10.5415","0.0004","7.3742","0.0003","90","","90","","90","","657.02","0.04","100","2","100","0.01","","","","","","","","3","P n a 21","P 2c -2n","33","","5-aminoindole","","- C8 H8 N2 -","- C8 H8 N2 -","- C32 H32 N8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","0.71073","MoKα","","0.036","0.034","","","0.089","0.0911","","","","","","1.043","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517855","6.3075","0.0003","19.6917","0.0011","12.4837","0.0007","90","","90","","90","","1550.54","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Saha, Urmila; Das, Bhriguram; Dolai, Malay; Butcher, Ray J.; Suresh Kumar, Gopinatha","Adaptable DNA-Interactive Probe Proficient at Selective Turn-On Sensing for Al3+: Insight from the Crystal Structure, Photophysical Studies, and Molecular Logic Gate","ACS Omega","2020","5","29","18411","18423","10.1021/acsomega.0c02226","","","0.71073","MoKα","","0.0665","0.0552","","","0.127","0.1335","","","","","","1.049","","","","has coordinates","257062","2020-10-21","18:00:00",""
"4517997","19.4151","0.0009","12.4197","0.0005","12.5653","0.0005","90","","90","","90","","3029.9","0.2","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H48 Mo N5 P Si4 -","- C18 H48 Mo N5 P Si4 -","- C72 H192 Mo4 N20 P4 Si16 -","4","1","","Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.","Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.","ACS central science","2020","6","9","1572","1577","10.1021/acscentsci.0c00944","","","0.71073","MoKα","","0.0349","0.0288","","0.0657","0.0626","0.0657","","","","","","0.9885","","","","has coordinates,has disorder","257061","2020-10-21","18:00:00",""
"4518221","23.5646","0.0002","13.3084","0.0001","38.4626","0.0003","90","","90","","90","","12062.2","0.17","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H60 N24 P4 Pd4 -","- C46 H60 N24 P4 Pd4 -","- C368 H480 N192 P32 Pd32 -","8","2","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.0365","0.0362","","","0.0971","0.0973","","","","","","1.17","","","","has coordinates,has disorder","259505","2020-12-04","02:13:35",""
"4518395","6.9215","0.0002","14.7012","0.0003","10.7329","0.0002","90","","90","","90","","1092.12","0.04","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","1,10-phenanthroline-4,7-dicarbonitrile","","- C14 H6 N4 -","- C14 H6 N4 -","- C56 H24 N16 -","4","1","","Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam","Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile","Crystal Growth and Design","2017","17","","5242","5248","10.1021/acs.cgd.7b00777","","","1.54178","CuKα","","0.0384","0.0318","","","0.0802","0.0845","","","","","","1.092","","","","has coordinates","260377","2021-01-02","16:27:31",""
"4518430","15.2754","0.0016","28.119","0.003","10.416","0.0009","90","","90","","90","","4474","0.8","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","vs_7mem_db_coord","","","- C48 H52 Cl4 N2 O Ru Si -","- C48 H52 Cl4 N2 O Ru Si -","- C192 H208 Cl16 N8 O4 Ru4 Si4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0463","0.0412","","","0.1194","0.1275","","","","","","1.006","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518479","11.3899","0.0014","14.5663","0.0015","6.6853","0.0006","90","","90","","90","","1109.1","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H10 Cu N5 O4 -","- C8 H10 Cu N5 O4 -","- C32 H40 Cu4 N20 O16 -","4","1","","Wang, Ying; Gong, Shuang-Shuang; Liu, Yue; Cheng, Lin; Li, Shuang-Shuang; Zhang, Ying; Cui, Yukun; Liang, Chenlu; Tang, Li; Ren, Peng; Fang, Yu; Day, Gregory S.","SC-SC Anion-Assisted Linker Exchange within a Three-Dimensional Cu(II)-Triazole Framework: A Luminescent Probe for S<sup>2</sup>.","ACS omega","2021","6","2","1266","1272","10.1021/acsomega.0c04676","","","0.71073","MoKα","","0.0604","0.0436","","","0.0948","0.0987","","","","","","1.003","","","","has coordinates","261422","2021-02-03","21:03:20",""
"4518798","18.444","0.002","12.6807","0.0012","6.8046","0.0007","90","","90","","90","","1591.5","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H13 N5 -","- C21 H13 N5 -","- C84 H52 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0756","0.0687","","","0.1728","0.1781","","","","","","1.088","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518859","16.3353","0.0011","14.4426","0.0011","12.0371","0.0009","90","","90","","90","","2839.8","0.4","103","2","103","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C25 H43 B F4 Mn N O2 P2 -","- C25 H43 B F4 Mn N O2 P2 -","- C100 H172 B4 F16 Mn4 N4 O8 P8 -","4","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0556","0.0398","","","0.0715","0.0764","","","","","","0.994","","","","has coordinates,has disorder","266942","2021-07-03","19:36:19",""
"4518956","14.597","0.0014","17.6854","0.0019","7.142","0.001","90","","90","","90","","1843.7","0.4","190","2","190","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H19 N9 O -","- C19 H19 N9 O -","- C76 H76 N36 O4 -","4","1","","Meng, Peng; Han, Chenhui; Scully, Andrew D.; Xiao, Qi; Brock, Aidan J.; Hirai, Tadahiko; Skidmore, Melissa; McMurtrie, John C.; Chesman, Anthony S. R.; Xu, Jingsan","Unconventional, Gram-Scale Synthesis of a Molecular Dimer Organic Luminogen with Aggregation-Induced Emission.","ACS applied materials & interfaces","2021","13","34","40441","40450","10.1021/acsami.1c05841","","x-ray","0.71073","MoKα","","0.0926","0.0601","","","0.1242","0.1433","","","","","","1.038","","","","has coordinates","268391","2021-09-03","19:02:19",""
"4519185","16.2282","0.0005","19.4802","0.0005","8.9123","0.0003","90","","90","","90","","2817.43","0.15","170","","170","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H24 F6 N O4 P S2 -","- C24 H24 F6 N O4 P S2 -","- C96 H96 F24 N4 O16 P4 S8 -","4","1","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0986","0.0544","","","0.1266","0.1537","","","","","","1.003","","","","has coordinates","271051","2021-12-03","21:38:16",""
"4519194","14.0151","0.0004","9.5909","0.0003","9.1204","0.0003","90","","90","","90","","1225.94","0.07","99.97","0.18","99.97","0.18","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H K2 N7 O10 -","- C5 H K2 N7 O10 -","- C20 H4 K8 N28 O40 -","4","1","","Singh, Jatinder; Staples, Richard J.; Shreeve, Jean'ne M.","Pushing the Limit of Nitro Groups on a Pyrazole Ring with Energy-Stability Balance.","ACS applied materials & interfaces","2021","13","51","61357","61364","10.1021/acsami.1c21510","","x-ray","0.71073","MoKα","","0.0362","0.033","","","0.0712","0.073","","","","","","1.041","","","","has coordinates","271689","2022-01-03","20:09:07",""
"4519282","13.0701","0.0003","11.6218","0.0003","12.2714","0.0003","90","","90","","90","","1864","0.08","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd3 Ga5 K S11 -","- Cd3 Ga5 K S11 -","- Cd12 Ga20 K4 S44 -","4","1","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.023","0.0208","","","0.0423","0.0427","","","","","","1.067","","","","has coordinates","272452","2022-02-03","20:07:49",""
"4519312","9.9488","0.0006","12.8366","0.0007","18.5222","0.0011","90","","90","","90","","2365.4","0.2","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","S-216","","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C104 H88 N24 O8 S8 -","8","2","","Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun","Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.","ACS omega","2022","7","2","2160","2169","10.1021/acsomega.1c05570","","","0.71073","MoKα","","0.053","0.0427","","","0.0929","0.0962","","","","","","0.992","","","","has coordinates","272483","2022-02-03","21:26:05",""
"5000205","17.524","0.003","8.969","0.002","11.352","0.002","90","","90","","90","","1784.23","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H5 N -","- C5 H5 N -","- C80 H80 N16 -","16","4","","Mootz, D.; Wussow, H.-G.","Crystal structures of pyridine and pyridine trihydrate","Journal of Chemical Physics","1981","75","3","1517","1522","10.1063/1.442204","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000385","14.0352","0.0004","10.8625","0.0003","19.6268","0.0006","90","","90","","90","","2992.25","","","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","fac-Tricarbonyl-(bis(bis(4-methylphenyl)phosphino)ethane)-hydrido-manganese","","- C33 H33 Mn O3 P2 -","- C33 H33 Mn O3 P2 -","- C132 H132 Mn4 O12 P8 -","4","1","","O'Keiffe, L. S.; Mitchell, A. C.; Becker, T. M.; Ho, D. M.; Mandal, S. K.","Reactions of [(CO)~3~(P-P)Mn]~2~ with primary alcohols, where, P-P is dppe {Ph~2~P(CH~2~)~2~PPh~2~}, dppp {Ph~2~P(CH~2~)~3~PPh~2~}, dppb {Ph~2~P(CH~2~)~4~PPh~2~}, dpppe {Ph~2~P(CH~2~)~5~PPh~2~}, dtpe {(p-tol)~2~P(CH~2~)~2~P(p-tol)~2~}, or dcpe {(^c^hex)~2~P(CH~2~)~2~P(^c^hex)~2~}. Synthesis of fac-(CO)~3~(P-P)MnH and the X-ray structure of fac-(CO)~3~(dtpe)MnH","Journal of Organometallic Chemistry","2000","613","1","13","","10.1016/S0022-328X(00)00473-3","","","","","","","3.92","","","3.92","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000125","7.94","","24.562","","5.402","","90","","90","","90","","1053.51","","","","","","","","","","","","","4","P n a 21","","","","","","- C14 H9 N O3 -","","","","","","Zhukov, S. G.; Babaev, E. V.; Chernyshev, V. V.; Rybakov, V. B.; Sonneveld, E. J.; Schenk, H.","Crystal structure determination of 2-oxo-3-benzoyloxazolo[3,Z-a]pyridine from X-ray powder data","Zeitschrift für Kristallographie","2000","215","5","306","308","10.1524/zkri.2000.215.5.306","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000383","30.212","","6.6128","","5.3612","","90","","90","","90","","1071.09","","","","","","","","","","","","","5","P n a 21","","","","","","- C3 H10 O8 P2 Zr -","","","","","","Alberti, G.; Vivani, R.; Mascaros, S. M.","First structural determination of layered and pillared organic derivatives of gamma-zirconium phosphate by X-ray powder diffraction data","Journal of Molecular Structure","1998","470","","81","92","10.1016/S0022-2860(98)00472-4","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000516","12.9207","","6.44","","10.4147","","90","","90","","90","","866.6","","303","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F Ga H4 N O4 P -","- F2 Ga2 N2 O8 P2 -","- F8 Ga8 N8 O32 P8 -","4","1","","Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.","Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type","Chemistry of Materials","2000","12","5","1393","1399","10.1021/cm991177z","","","","","","","","","","","","","","","","","","","","","has coordinates","132296","2020-10-21","18:00:00",""
"6000517","12.4967","","7.7015","","9.8463","","90","","90","","90","","947.64","","303","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F3 Ga2 H9 N2 O8 P2 -","- F3 Ga2 N2 O8 P2 -","- F12 Ga8 N8 O32 P8 -","4","1","","Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.","Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type","Chemistry of Materials","2000","12","5","1393","1399","10.1021/cm991177z","","","","","","","","","","","","","","","","","","","","","has coordinates","132296","2020-10-21","18:00:00",""
"7000101","24.699","0.006","5.3158","0.0013","8.711","0.002","90","","90","","90","","1143.7","0.5","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H18 Ga3 N3 -","- C3 H18 Ga3 N3 -","- C12 H72 Ga12 N12 -","4","1","","Marchant, Sarah; Tang, Christina Y.; Downs, Anthony J.; Greene, Tim M.; Himmel, Hans-Jörg; Parsons, Simon","Synthesis and structural characterisation of primary amine adducts of gallane, RH2N.GaH3, and of their decomposition products, [RHNGaH2]n(R = Me, n= 3; R =tBu, n= 2).","Dalton transactions (Cambridge, England : 2003)","2005","","20","3281","3290","10.1039/b508057f","","","0.71073","MoKα","","0.0394","0.0372","","0.0938","0.0929","0.0938","","","","","","1.0008","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000108","27.4168","0.001","14.594","0.0005","10.9247","0.0004","90","","90","","90","","4371.2","0.3","203","2","203","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C32 H28 Cl5 Cu F6 N9 O6 P4 -","- C32 H28 Cl5 Cu F6 N9 O6 P4 -","- C128 H112 Cl20 Cu4 F24 N36 O24 P16 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Depree, Craig V.; Moubaraki, Boujemaa; Murray, Keith S.; Otter, Carl A.","Copper(II) chloride complexes with multimodal ligands based on the cyclotriphosphazene platform.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3337","3343","10.1039/b508620e","","","0.71073","MoKα","","0.055","0.0393","","","0.0774","0.0859","","","","","","1.087","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000111","20.948","0.003","10.53","0.001","15.012","0.001","90","","90","","90","","3311.4","0.6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H38 B Cl2 N7 Si U -","- C26 H38 B Cl2 N7 Si U -","- C104 H152 B4 Cl8 N28 Si4 U4 -","4","1","","Silva, Manuela; Antunes, Maria Augusta; Dias, Marta; Domingos, Angela; dos Santos, Isabel Cordeiro; Marçalo, Joaquim; Marques, Noémia","The uranium-nitrogen bond in U IV complexes supported by the hydrotris(3,5-dimethylpyrazolyl)borate ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3353","3358","10.1039/b509229a","","","0.71073","MoKα","","0.1539","0.0682","","","0.0931","0.1177","","","","","","1.062","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000181","21.3853","0.0008","13.2816","0.0005","9.9306","0.0003","90","","90","","90","","2820.6","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H39 Co N5 O6 -","- C22 H38 Co N5 O6 -","- C88 H152 Co4 N20 O24 -","4","1","","Gätjens, Jessica; Mullins, Christopher S.; Kampf, Jeff W.; Thuéry, Pierre; Pecoraro, Vincent L.","Corroborative cobalt and zinc model compounds of α-amino-β-carboxymuconic-ε-semialdehyde decarboxylase (ACMSD)","Dalton Transactions","2009","","1","51","62","10.1039/b809453e","","","0.71073","MoKα","","0.0628","0.058","","","0.1642","0.1683","","","","","","1.059","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000261","16.2558","0.0004","17.2642","0.0004","7.912","0.0002","90","","90","","90","","2220.45","0.09","173","2","173","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C20 H30 Cl2 N4 Sn -","- C20 H30 Cl2 N4 Sn -","- C80 H120 Cl8 N16 Sn4 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.; Uiterweerd, Patrick G. H.","Synthesis and structures of halides and pseudohalides of bis[2,6-bis(dimethylamino)phenyl]tin(IV)","Dalton Transactions","2009","","2","353","361","10.1039/b813353k","","x-ray","0.71073","MoKα","","0.0347","0.0285","","","0.067","0.0702","","","","","","1.022","","","","has coordinates","209571","2020-10-21","18:00:00",""
"7000308","18.768","0.0004","7.8976","0.0002","14.2285","0.0005","90","","90","","90","","2108.98","0.1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 Br2 N2 Si -","- C21 H24 Br2 N2 Si -","- C84 H96 Br8 N8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Driess, Matthias","Twice silicon-induced C‒H activation and tautomerisation of a β-diketiminato ligand and formation of new types of N-heterocyclic silanes","Dalton Transactions","2009","","3","421","423","10.1039/b820285k","","","0.71073","MoKα","","0.0435","0.0294","","","0.0482","0.0521","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000400","22.0598","0.0001","7.0999","0.0002","11.5587","0.0003","90","","90","","90","","1810.35","0.07","150","2","150","2","","","","","","","synthesized by the authors","5","P n a 21","P 2c -2n","33","","","","- C6 H24 B18 Co N -","- C6 H24 B18 Co N -","- C24 H96 B72 Co4 N4 -","4","1","","Šícha, Václav; Plešek, Jaromír; Kvíčalová, Magdalena; Císařová, Ivana; Grüner, Bohumír","Boron(8) substituted nitrilium and ammonium derivatives, versatile cobalt bis(1,2-dicarbollide) building blocks for synthetic purposes","Dalton Transactions","2009","","5","851","860","10.1039/b814941k","","","0.71073","MoKα","","0.0261","0.0244","","","0.0634","0.0648","","","","","","1.056","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7000467","15.225","0.003","10.217","0.002","14.312","0.003","90","","90","","90","","2226.3","0.8","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H30 Br2 N2 Ni -","- C18 H30 Br2 N2 Ni -","- C72 H120 Br8 N8 Ni4 -","4","1","","Yang, Feng-Zhao; Chen, Yi-Chun; Lin, Ya-Fan; Yu, Kuo-Hsuan; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Nickel catalysts bearing bidentate α-aminoaldimines for ethylene polymerization—independent and cooperative structure/reactivity relationship resulting from unsymmetric square planar coordination","Dalton Transactions","2009","","7","1243","1250","10.1039/b814423k","","","0.71073","MoKα","","0.1057","0.0583","","","0.1458","0.1713","","","","","","1.023","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7000470","15.109","0.0003","10.425","0.0003","14.493","0.0003","90","","90","","90","","2282.81","0.09","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H30 Br2 N2 Ni -","- C19 H30 Br2 N2 Ni -","- C76 H120 Br8 N8 Ni4 -","4","1","","Yang, Feng-Zhao; Chen, Yi-Chun; Lin, Ya-Fan; Yu, Kuo-Hsuan; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Nickel catalysts bearing bidentate α-aminoaldimines for ethylene polymerization—independent and cooperative structure/reactivity relationship resulting from unsymmetric square planar coordination","Dalton Transactions","2009","","7","1243","1250","10.1039/b814423k","","","0.71073","MoKα","","0.0814","0.0436","","","0.0974","0.1141","","","","","","0.994","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7000666","15.503","0.002","10.9857","0.0015","11.3689","0.0016","90","","90","","90","","1936.3","0.5","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H14 I2 N2 Ni S2 -","- C16 H14 I2 N2 Ni S2 -","- C64 H56 I8 N8 Ni4 S8 -","4","1","","Ding, Nini; Zhang, Jun; Hor, T. S. Andy","Formation and crystallographic elucidation of stable [4 + 2]-coordinate nickel(ii) N,S-heterocyclic carbene (NSHC) complexes","Dalton Transactions","2009","","10","1853","1858","10.1039/b815876b","","","0.71073","MoKα","","0.0564","0.0485","","","0.1086","0.1128","","","","","","1.025","","","","has coordinates","179684","2020-10-21","18:00:00",""
"7000723","25.72","0.005","19.829","0.005","15.048","0.005","90","","90","","90","","7675","4","100","2","100","2","","","","","","","Sodium Molybdate","6","P n a 21","P 2c -2n","33","","","","- C35 H35 Mo N6 P S5 -","- C35 H35 Mo N6 P S5 -","- C280 H280 Mo8 N48 P8 S40 -","8","2","","Majumdar, Amit; Pal, Kuntal; Sarkar, Sabyasachi","Necessity of fine tuning in Mo(iv) bis(dithiolene) complexes to warrant nitrate reduction","Dalton Transactions","2009","","11","1927","1938","10.1039/b815436h","","","0.71069","MoKα","","0.063","0.0475","","","0.0871","0.0954","","","","","","1.069","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000763","19.906","0.007","10.207","0.004","7.944","0.003","90","","90","","90","","1614.1","1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H16 Au2 Cl2 N4 -","- C10 H16 Au2 Cl2 N4 -","- C40 H64 Au8 Cl8 N16 -","4","1","","García-Pacios, Vanesa; Arroyo, Marta; Antón, Noelia; Miguel, Daniel; Villafañe, Fernando","Non-covalent interactions at bis(pyrazole)silver(i) or -gold(i) cations","Dalton Transactions","2009","","12","2135","2141","10.1039/b820084j","","","0.71073","MoKα","","0.0513","0.0423","","","0.1062","0.1107","","","","","","1.022","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000779","17.285","0.004","18.104","0.004","12.811","0.003","90","","90","","90","","4008.9","1.6","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H42 F6 Fe O2 P2 Si -","- C43 H42 F6 Fe O2 P2 Si -","- C172 H168 F24 Fe4 O8 P8 Si4 -","4","1","","Wallis, Christopher; Edwards, Peter G.; Hanton, Martin; Newman, Paul D.; Stasch, Andreas; Jones, Cameron; Tooze, Robert P.","Coordination chemistry of 2,6-dixylyl-4-phenylphosphabarrelene with selected transition metals","Dalton Transactions","2009","","12","2170","2177","10.1039/b816499a","","","0.71073","MoKα","","0.0662","0.0532","","","0.1274","0.1352","","","","","","1.038","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000846","11.4342","0.0011","16.0203","0.0016","17.1455","0.0018","90","","90","","90","","3140.7","0.5","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C27 H32 B10 Cl2 D2 N2 Sn -","- C27 H34 B10 Cl2 N2 Sn -","- C108 H136 B40 Cl8 N8 Sn4 -","4","1","","Abram, Peter D.; McKay, David; Ellis, David; Macgregor, Stuart A.; Rosair, Georgina M.; Sancho, Rodrigo; Welch, Alan J.","Adducts of the supraicosahedral stannacarborane 1,6-Me2-4,1,6-closo-SnC2B10H10; synthetic, structural and computational studies","Dalton Transactions","2009","","13","2345","2351","10.1039/b821417d","","","0.71073","MoKα","","0.1339","0.0695","","","0.1588","0.1887","","","","","","1.026","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7001101","17.068","0.003","13.97","0.003","13.023","0.003","90","","90","","90","","3105.2","1.1","200","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H43 Cl2 O5 P3 Ru -","- C24 H43 Cl2 O5 P3 Ru -","- C96 H172 Cl8 O20 P12 Ru4 -","4","1","","Hirano, Masafumi; Izhab, Izirwan Bin; Kurata, Naoki; Koizumi, Kaori; Komine, Nobuyuki; Komiya, Sanshiro","Reaction of an oxaruthenacycle with DMAD. Stoichiometric transformations of 2,6-xylenol to allylic phenols and benzopyrans via sp3 C‒H bond cleavage reaction","Dalton Transactions","2009","","17","3270","3279","10.1039/b821179e","","","0.71069","MoKα","","","0.0318","","","","0.081","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001170","17.1377","0.0008","12.3158","0.0011","18.564","0.0019","90","","90","","90","","3918.2","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H35 I2 Li N7 O2 U -","- C35 H35 I2 Li N7 O2 U -","- C140 H140 I8 Li4 N28 O8 U4 -","4","1","","Berthet, Jean-Claude; Siffredi, Gérald; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of pentavalent uranyl complexes. The remarkable stability of UO2X (X = I, SO3CF3) in non-aqueous solutions","Dalton Transactions","2009","","18","3478","3494","10.1039/b820659g","","","0.71073","MoKα","","0.057","0.0449","","","0.1088","0.1132","","","","","","1.039","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001592","18.958","0.006","24.186","0.008","10.345","0.004","90","","90","","90","","4743","3","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H30 I2 N2 Ru -","- C20 H30 I2 N2 Ru -","- C160 H240 I16 N16 Ru8 -","8","2","","Zhang, Congying; Zhao, Yang; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","The intramolecular sp2 and sp3 C‒H bond activation of (p-cymene)ruthenium(ii) N-heterocyclic carbene complexes","Dalton Transactions","2009","","26","5182","5189","10.1039/b818091a","","","0.71073","MoKα","","0.2499","0.0948","","","0.1629","0.2366","","","","","","1.036","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001593","7.729","0.003","14.184","0.006","17.532","0.008","90","","90","","90","","1922","1.4","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 I N2 Ru -","- C20 H23 I N2 Ru -","- C80 H92 I4 N8 Ru4 -","4","1","","Zhang, Congying; Zhao, Yang; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","The intramolecular sp2 and sp3 C‒H bond activation of (p-cymene)ruthenium(ii) N-heterocyclic carbene complexes","Dalton Transactions","2009","","26","5182","5189","10.1039/b818091a","","","0.7107","MoKα","","0.0633","0.057","","","0.1242","0.1277","","","","","","1.15","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7001731","35.417","0.004","17.3343","0.0019","10.1016","0.0011","90","","90","","90","","6201.7","1.2","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H51 Al3 N3 Sm -","- C23 H51 Al3 N3 Sm -","- C184 H408 Al24 N24 Sm8 -","8","2","","Venugopal, Ajay; Kamps, Ina; Bojer, Daniel; Berger, Raphael J. F.; Mix, Andreas; Willner, Alexander; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Neutral ligand induced methane elimination from rare-earth metal tetramethylaluminates up to the six-coordinate carbide state","Dalton Transactions","2009","","29","5755","","10.1039/b905271b","","","0.71073","MoKα","","0.0612","0.0535","","","0.1156","0.1187","","","","","","1.149","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001776","16.5888","0.0012","14.2533","0.0009","24.6169","0.0017","90","","90","","90","","5820.5","0.7","223","2","223","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C63 H52 F6 Fe N4 O3 P3 Re Ru -","- C63 H52 F6 Fe N4 O3 P3 Re Ru -","- C252 H208 F24 Fe4 N16 O12 P12 Re4 Ru4 -","4","1","","Ge, Qingchun; Corkery, T. Christopher; Humphrey, Mark G.; Samoc, Marek; Hor, T. S. Andy","Organobimetallic RuII‒ReI 4-ethynylpyridyl complexes: structures and non-linear optical properties","Dalton Transactions","2009","","31","6192","","10.1039/b902800e","","","0.71073","MoKα","","0.0921","0.0651","","","0.102","0.1107","","","","","","1.067","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7002159","37.496","0.0016","8.7926","0.0004","14.6125","0.0006","90","","90","","90","","4817.6","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","(HB(3,5-(CF3)2Tz)3)AgC2H4","","","- C14 H5 Ag B F18 N9 -","- C14 H5 Ag B F18 N9 -","- C112 H40 Ag8 B8 F144 N72 -","8","2","","Kou, Xiaodi; Dias, H. V. Rasika","Carbon monoxide and ethylene complexes of copper and silver supported by a highly fluorinated tris(triazolyl)borate","Dalton Transactions","2009","","36","7529","7536","10.1039/b910805j","","","0.71073","MoKα","","0.0424","0.0393","","","0.0978","0.1002","","","","","","1.009","","","","has coordinates,has disorder","179719","2020-10-21","18:00:00",""
"7002310","12.257","0.003","15.403","0.003","8.7304","0.0017","90","","90","","90","","1648.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H18 Ag N3 O3 S -","- C14 H18 Ag N3 O3 S -","- C56 H72 Ag4 N12 O12 S4 -","4","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of a series of silver(I) sulfonates with pyrazine derivatives","Dalton Transactions","2009","","38","7957","7968","10.1039/b905483a","","","0.71073","MoKα","","0.0546","0.0425","","","0.095","0.1012","","","","","","1.051","","","","has coordinates,has disorder","179721","2020-10-21","18:00:00",""
"7002313","14.092","0.003","11.078","0.002","10.092","0.002","90","","90","","90","","1575.5","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H18 Ag N3 O3 S -","- C14 H18 Ag N3 O3 S -","- C56 H72 Ag4 N12 O12 S4 -","4","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of a series of silver(I) sulfonates with pyrazine derivatives","Dalton Transactions","2009","","38","7957","7968","10.1039/b905483a","","","0.71073","MoKα","","0.024","0.0225","","","0.0581","0.0588","","","","","","1.052","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002314","14.223","0.003","8.5662","0.0017","12.881","0.003","90","","90","","90","","1569.4","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H18 Ag N3 O3 S -","- C14 H18 Ag N3 O3 S -","- C56 H72 Ag4 N12 O12 S4 -","4","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of a series of silver(I) sulfonates with pyrazine derivatives","Dalton Transactions","2009","","38","7957","7968","10.1039/b905483a","","","0.71073","MoKα","","0.0305","0.0268","","","0.0637","0.0653","","","","","","1.065","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002315","14.274","0.0002","8.243","0.0002","12.612","0.0004","90","","90","0.005","90","","1483.94","0.06","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H16 Ag N3 O3 S -","- C13 H16 Ag N3 O3 S -","- C52 H64 Ag4 N12 O12 S4 -","4","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of a series of silver(I) sulfonates with pyrazine derivatives","Dalton Transactions","2009","","38","7957","7968","10.1039/b905483a","","","0.71069","MoKα","","0.024","0.0225","","","0.0576","0.0581","","","","","","1.064","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002364","16.623","0.004","12.13","0.003","9.54","0.002","90","","90","","90","","1923.6","0.8","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H15 Cl2 N3 Te2 Zn -","- C14 H15 Cl2 N3 Te2 Zn -","- C56 H60 Cl8 N12 Te8 Zn4 -","4","1","","Kedarnath, G.; Jain, Vimal K.; Wadawale, Amey; Dey, Gautam K.","Bis(3-methyl-2-pyridyl)ditelluride and pyridyl tellurolate complexes of zinc, cadmium, mercury: Synthesis, characterization and their conversion to metal telluride nanoparticles","Dalton Transactions","2009","","39","8378","8385","10.1039/b910466f","","","0.71069","MoKα","","0.1423","0.0613","","","0.1505","0.1864","","","","","","0.985","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002708","21.8133","0.0013","8.0499","0.0005","19.0926","0.0012","90","","90","","90","","3352.6","0.4","186","2","186","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H34 Cl2 F6 N2 O2 Ti -","- C32 H34 Cl2 F6 N2 O2 Ti -","- C128 H136 Cl8 F24 N8 O8 Ti4 -","4","1","","Ye, Wei-Ping; Mu, Hong-Liang; Shi, Xin-Cui; Cheng, Yan-Xiang; Li, Yue-Sheng","Synthesis and characterization of the titanium complexes bearing two regioisomeric trifluoromethyl-containing enaminoketonato ligands and their behavior in ethylene polymerization","Dalton Transactions","2009","","43","9452","9465","10.1039/b906854f","","","0.71073","MoKα","","0.0925","0.0477","","","0.0955","0.1134","","","","","","0.987","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7003516","12.307","0.003","10.1285","0.001","10.749","0.003","90","","90","","90","","1339.9","0.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tetrafluoro(1,2-bis(dimethylphosphino)benzene)germanium(IV)","Tetrafluoro(1,2-bis(dimethylphosphino)benzene)germanium(IV)","","- C10 H16 F4 Ge P2 -","- C10 H16 F4 Ge P2 -","- C40 H64 F16 Ge4 P8 -","4","1","","Davis, Martin F.; Levason, William; Reid, Gillian; Webster, Michael","Complexes of germanium(iv) fluoride with phosphane ligands: structural and spectroscopic authentication of germanium(iv) phosphane complexes","Dalton Transactions","2008","","17","2261","2269","10.1039/b716765b","","","0.71073","MoKα","","0.051","0.0393","","","0.0702","0.0742","","","","","","1.039","","","","has coordinates","179739","2020-10-21","18:00:00",""
"7003696","19.3106","0.0007","18.0975","0.0004","13.1943","0.0005","90","","90","","90","","4611.1","0.3","173","2","173","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C42 H76 Li N3 O2 Si3 -","- C42 H76 Li N3 O2 Si3 -","- C168 H304 Li4 N12 O8 Si12 -","4","1","","Bourget-Merle, Laurence; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis and structures of crystalline Li, Al and Sn(ii) 1-azaallyls and β-diketiminates derived from [Li{μ,η3-N(SiMe3)C(Ad)C(H)SiMe3}]2 (Ad = 1-adamantyl)","Dalton Transactions","2008","","26","3493","3501","10.1039/b718728a","","x-ray","0.71073","MoKα","","0.0434","0.0377","","","0.0915","0.0964","","","","","","1.046","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003736","20.17","0.003","11.896","0.002","10.1839","0.0014","90","","90","","90","","2443.5","0.6","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H32 N6 O8 Ru -","- C20 H32 N6 O8 Ru -","- C80 H128 N24 O32 Ru4 -","4","1","","Drew, Michael G. B.; Nag, Samik; Datta, Dipankar","Use of HNO3 as the source of NO to prepare a nitric oxide complex of ruthenium","Dalton Transactions","2008","","17","2298","2302","10.1039/b719134k","","","0.71073","MoKα","","0.0595","0.0408","","","0.0944","0.0968","","","","","","0.854","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004016","23.3237","0.0009","12.9435","0.0004","7.7526","0.0003","90","","90","","90","","2340.43","0.15","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","Ti(N-2-C6H4tBu)(Me4DACH)Cl2","","- C20 H36 Cl2 N4 Ti -","- C20 H36 Cl2 N4 Ti -","- C80 H144 Cl8 N16 Ti4 -","4","1","","Hayday, Gregory J.; Wang, Chao; Rees, Nicholas H.; Mountford, Philip","Imido titanium compounds bearing the 6-dimethylamino-1,4,6-trimethyl-1,4-diazacycloheptane ligand: synthesis, structures, solution dynamics and ethylene polymerisation capability","Dalton Transactions","2008","","25","3301","3310","10.1039/b802027b","","","0.71073","MoKα","","0.1212","0.0495","","0.1013","0.0478","0.0478","","","","","","1.0876","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004241","18.492","0.002","10.685","0.001","15.309","0.001","90","","90","","90","","3024.9","0.5","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","3-Tert.-butyl-(1,5-a)-pyridine-(1,3,2)-diazaphospholenium- triflate","3-Tert.-butyl-[1,5-a]-pyridine-[1,3,2]-diazaphospholenium- triflate","","- C11 H14 F3 N2 O3 P S -","- C11 H14 F3 N2 O3 P S -","- C88 H112 F24 N16 O24 P8 S8 -","8","2","","Benkő, Zoltán; Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Nyulászi, László; Shore, Nicholas","Pyrido-annellated diazaphospholenes and phospholenium ions","Dalton Transactions","2008","","36","4937","4945","10.1039/b804621b","","","0.71073","MoKα","","0.0754","0.0638","","","0.1497","0.1585","","","","","","1.042","","","","has coordinates,has disorder","179746","2020-10-21","18:00:00",""
"7004276","18.9137","0.0005","9.3589","0.0003","19.9644","0.0006","90","","90","","90","","3533.93","0.18","123","2","123","2","","","","","","","Toluene","5","P n a 21","P 2c -2n","33","[Ru(CO)4(IPr)].toluene","","","- C38 H44 N2 O4 Ru -","- C38 H44 N2 O4 Ru -","- C152 H176 N8 O16 Ru4 -","4","1","","Bruce, Michael I.; Cole, Marcus L.; Fung, Ricky S. C.; Forsyth, Craig M.; Hilder, Matthias; Junk, Peter C.; Konstas, Kristina","The reactivity of N-heterocyclic carbenes and their precursors with [Ru3(CO)12]","Dalton Transactions","2008","","31","4118","4128","10.1039/B805012K","","x-ray","0.71073","MoKα","","0.1073","0.0533","","","0.0699","0.0792","","","","","","1.058","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7004295","24.392","0.003","11.2823","0.0014","16.445","0.002","90","","90","","90","","4525.6","1","240","2","240","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H39 Cl2 N8 Ni O14 -","- C36 H39 Cl2 N8 Ni O14 -","- C144 H156 Cl8 N32 Ni4 O56 -","4","1","","Santillan, Guillermo A.; Carrano, Carl J.","Nickel(ii), copper(ii), and cobalt(ii) solid-state structures formed through hydrogen bonding with ditopic heteroscorpionate ligands","Dalton Transactions","2008","","30","3995","4005","10.1039/B805253K","","","0.71073","MoKα","","0.0724","0.0622","","","0.164","0.1745","","","","","","1.082","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004364","22.5924","0.0009","13.7879","0.0007","15.367","0.0007","90","","90","","90","","4786.8","0.4","180","","180","","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C40 H52 F12 N5 O5 P3 Ru -","- C40 H52 F12 N5 O5 P3 Ru -","- C160 H208 F48 N20 O20 P12 Ru4 -","4","1","","Dixon, Isabelle M.; Lebon, Emilie; Loustau, Gilles; Sutra, Pierre; Vendier, Laure; Igau, Alain; Juris, Alberto","Broad HOMO‒LUMO gap tuning through the coordination of a single phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core","Dalton Transactions","2008","","41","5627","5635","10.1039/b806325g","","","0.71073","MoKα","","0.0575","0.0485","","","0.1281","0.1336","","","","","","1.025","","","","has coordinates,has disorder","179747","2020-10-21","18:00:00",""
"7004453","10.6094","0.001","17.283","0.0016","14.7831","0.0013","90","","90","","90","","2710.7","0.4","298","2","298","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C15 H21 Cl2 N12 Ni O8 P S -","- C15 H18 Cl2 N12 Ni O8 P S -","- C60 H72 Cl8 N48 Ni4 O32 P4 S4 -","4","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Pandian, Balasubramanian Murugesa; Boomishankar, Ramamoorthy; Steiner, Alexander","A phosphorus-supported multisite coordination ligand containing three imidazolyl arms and its metalation behaviour. An unprecedented co-existence of mononuclear and macrocyclic dinuclear Zn(ii) complexes in the same unit cell of a crystalline lattice","Dalton Transactions","2008","","43","5962","5969","10.1039/b807074a","","","0.71073","MoKα","","0.0874","0.0589","","","0.1127","0.1247","","","","","","1.03","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004542","28.767","0.011","8.542","0.003","6.264","0.002","90","","90","","90","","1539.2","0.9","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","N-(Pentafluorphenyl-difluor-silyl)-N-(trimetylsilyl)-N'-N'- dimethyl-hydrazine","N-(Pentafluorphenyl-difluor-silyl)-N-(trimetylsilyl)-N'-N'-dimethyl-hydrazine","","- C11 H15 F7 N2 Si2 -","- C11 H15 F7 N2 Si2 -","- C44 H60 F28 N8 Si8 -","4","1","","Woski, Markus; Berger, Raphael J. F.; Mitzel, Norbert W.","On the presence or absence of geminal Si⋯N interactions (α-effect) in pentafluorophenylsilyl compounds with SiCN, SiNN and SiON backbones","Dalton Transactions","2008","","41","5652","5658","10.1039/b808388f","","","0.71073","MoKα","","0.1055","0.0851","","","0.1507","0.1563","","","","","","0.913","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004791","16.4913","0.0009","9.5041","0.0005","15.8471","0.0009","90","","90","","90","","2483.8","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H36 Co O P3 -","- C22 H36 Co O P3 -","- C88 H144 Co4 O4 P12 -","4","1","","Camadanli, Sebnem; Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich","First regioselective cyclometalation reactions of cobalt in arylketones: C‒H versus C‒F activation","Dalton Transactions","2008","","42","5701","5704","10.1039/B813419g","","","0.71073","MoKα","","0.0339","0.0295","","","0.0705","0.0727","","","","","","1.051","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004880","6.753","0.002","18.304","0.006","7.371","0.002","90","","90","","90","","911.1","0.5","150","2","150","2","","","","","","","?","6","P n a 21","P 2c -2n","33","","","","- C2 H0 F7 N O4 S2 -","- C2 F7 N O4 S2 -","- C8 F28 N4 O16 S8 -","4","1","","Hnyk, Drahomír; Brain, Paul T.; Rankin, David W. H.; Robertson, Heather E.; Smart, Bruce A.; Banks, R. Eric; Murtagh, Vincent","The molecular structure of N-fluorobis(trifluoromethanesulfonyl)imide, NF(SO(2)CF(3))(2), as studied in the gas phase by electron diffraction restrained by ab initio calculations.","Dalton transactions (Cambridge, England : 2003)","2007","","2","265","271","10.1039/b612318j","","","0.71073","MoKα","","","0.0745","","","0.0794","","","","","1.1075","1.1075","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005081","11.9261","0.0002","22.287","0.0005","17.3416","0.0004","90","","90","","90","","4609.35","0.17","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H50 Cl N9 O3 S2 Zn2 -","- C35 H48 Cl N9 O3 S2 Zn2 -","- C140 H192 Cl4 N36 O12 S8 Zn8 -","4","1","","Galardon, Erwan; Giorgi, Michel; Artaud, Isabelle","Modeling the inhibition of peptide deformylase by hydroxamic acids: influence of the sulfur donor.","Dalton transactions (Cambridge, England : 2003)","2007","","10","1047","1052","10.1039/b616212f","","","0.71073","MoKα","","0.0717","0.0627","","","0.1835","0.195","","","","","","1.064","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005102","17.34","0.003","37.132","0.006","13.715","0.002","90","","90","","90","","8831","2","153","2","153","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C72 H129 Br Cl5 N8 O20.5 Zn -","- C72 H129 Br Cl5 N8 O20.5 Zn -","- C288 H516 Br4 Cl20 N32 O82 Zn4 -","4","1","","An, Yan; Lin, Yan-Yong; Wang, Hui; Sun, Hong-Zhe; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan","Cleavage of double-strand DNA by zinc complexes of dicationic 2,2'-dipyridyl derivatives.","Dalton transactions (Cambridge, England : 2003)","2007","","12","1250","1254","10.1039/b616754c","","","0.71073","MoKα","","0.0734","0.0579","","","0.1515","0.1652","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7005133","29.656","0.0001","8.965","0.0001","8.687","0.0004","90","","90","","90","","2309.58","0.11","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H22 Cl4 N O2 P Pd -","- C19 H22 Cl4 N O2 P Pd -","- C76 H88 Cl16 N4 O8 P4 Pd4 -","4","1","","Agostinho, Magno; Braunstein, Pierre; Welter, Richard","Phosphinito- and phosphonito-oxazoline Pd(II) complexes as CO/ethylene insertion intermediates: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2007","","7","759","770","10.1039/b616962g","","","0.71073","MoKα","","0.0369","0.0323","","","0.0861","0.0887","","","","","","1.139","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005270","36.1535","0.0006","7.6937","0.0001","10.9951","0.0002","90","","90","","90","","3058.33","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","Bis(5-(4-fluorophenyl)pyrazolido)-bis(5-(4- fluorophenyl)pyrazole)copper(ii)","Bis[5-{4-fluorophenyl}pyrazolido]-bis[5-{4-fluorophenyl}pyrazole]copper(II)","","- C36 H26 Cu F4 N8 -","- C36 H26 Cu F4 N8 -","- C144 H104 Cu4 F16 N32 -","4","1","","Mokuolu, Q. Folshade; Foguet-Albiol, Dolos; Jones, Leigh F.; Wolowska, Joanna; Kowalczyk, Radoslaw M.; Kilner, Colin A.; Christou, George; McGowan, Patrick C.; Halcrow, Malcolm A.","Four copper(II) pyrazolido complexes derived from reactions of 3{5}-substituted pyrazoles with CuF(2) or Cu(OH)(2).","Dalton transactions (Cambridge, England : 2003)","2007","","14","1392","1399","10.1039/b618780c","","","0.71073","MoKα","","0.0757","0.0589","","","0.1481","0.1616","","","","","","1.042","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005436","10.69","0.002","30.399","0.006","11.998","0.002","90","","90","","90","","3898.9","1.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","040028","","","- C42 H43 Cl2 Fe N4 P -","- C42 H43 Cl2 Fe N4 P -","- C168 H172 Cl8 Fe4 N16 P4 -","4","1","","Schmiege, Benjamin M.; Carney, Michael J.; Small, Brooke L.; Gerlach, Deidra L.; Halfen, Jason A.","Alternatives to pyridinediimine ligands: syntheses and structures of metal complexes supported by donor-modified alpha-diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2547","2562","10.1039/b702197f","","","0.71073","MoKα","","0.0855","0.0503","","","0.093","0.1044","","","","","","1.018","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005476","24.693","0.003","6.6317","0.001","8.2556","0.0016","90","","90","","90","","1351.9","0.4","183","2","183","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Trinitrosyl(tris(hydroxymethyl)phosphino)iron(II) hexafluorophosphate","","- C3 H9 F6 Fe N3 O6 P2 -","- C3 H9 F6 Fe N3 O6 P2 -","- C12 H36 F24 Fe4 N12 O24 P8 -","4","1","","Dillinger, Sandra A. T.; Schmalle, Helmut W.; Fox, Thomas; Berke, Heinz","Developing iron nitrosyl complexes as NO donor prodrugs.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3562","3571","10.1039/b702461d","","","0.71073","MoKα","","0.1627","0.0949","","","0.2201","0.2612","","","","","","1.229","","","","has coordinates,has disorder","179758","2020-10-21","18:00:00",""
"7005495","16.141","0.002","12.6448","0.0016","6.9126","0.0009","90","","90","","90","","1410.9","0.3","297","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H15 Br2 N O Se -","- C11 H15 Br2 N O Se -","- C44 H60 Br8 N4 O4 Se4 -","4","1","","Kulcsar, Monika; Beleaga, Anca; Silvestru, Cristian; Nicolescu, Alina; Deleanu, Calin; Todasca, Cristina; Silvestru, Anca","Solid state structure and solution behaviour of organoselenium(II) compounds containing 2-{E(CH2CH2)2NCH2}C6H4 groups (E = O, NMe).","Dalton transactions (Cambridge, England : 2003)","2007","","21","2187","2196","10.1039/b702629c","","","0.71073","MoKα","","0.0821","0.0685","","","0.1244","0.1298","","","","","","1.173","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005542","15.6342","0.0017","34.587","0.004","9.4238","0.001","90","","90","","90","","5095.8","1","213","2","213","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H70 Cl3 Cu2 N8 Na3 O21 -","- C37 H67 Cl3 Cu2 N8 Na3 O21 -","- C148 H268 Cl12 Cu8 N32 Na12 O84 -","4","1","","Heroux, Katie J.; Woodin, Katrina S.; Tranchemontagne, David J.; Widger, Peter C. B.; Southwick, Evan; Wong, Edward H.; Weisman, Gary R.; Tomellini, Sterling A.; Wadas, Thaddeus J.; Anderson, Carolyn J.; Kassel, Scott; Golen, James A.; Rheingold, Arnold L.","The long and short of it: the influence of N-carboxyethyl versusN-carboxymethyl pendant arms on in vitro and in vivo behavior of copper complexes of cross-bridged tetraamine macrocycles.","Dalton transactions (Cambridge, England : 2003)","2007","","21","2150","2162","10.1039/b702938a","","","0.71073","MoKα","","0.0612","0.0538","","","0.1291","0.1355","","","","","","1.07","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005593","22.3981","0.0018","8.1607","0.0007","12.217","0.001","90","","90","","90","","2233.1","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","2","","","- C27 H30 B N -","- C27 H30 B N -","- C108 H120 B4 N4 -","4","1","","Cui, Yi; Li, Fenghong; Lu, Zheng-Hong; Wang, Suning","Three-coordinate organoboron with a B=N bond: substituent effects, luminescence/electroluminescence and reactions with fluoride.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2634","2643","10.1039/b703366d","","","0.71073","MoKα","","0.0686","0.0384","","","0.0795","0.0868","","","","","","0.9","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005634","19.503","0.004","19.129","0.004","11.409","0.002","90","","90","","90","","4256.4","1.5","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H30 B2 F8 Fe N14 -","- C40 H30 B2 F8 Fe N14 -","- C160 H120 B8 F32 Fe4 N56 -","4","1","","Rajadurai, Chandrasekar; Qu, Zhirong; Fuhr, Olaf; Gopalan, Balaji; Kruk, Robert; Ghafari, Mohammed; Ruben, Mario","Lattice-solvent controlled spin transitions in iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3531","3537","10.1039/b703700g","","","0.71073","MoKα","","0.0545","0.0514","","","0.1429","0.146","","","","","","1.042","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005640","14.2507","0.0017","15.775","0.002","10.3758","0.0014","90","","90","","90","","2332.5","0.5","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 Cl2 Hg2 N12 -","- C18 H14 Cl2 Hg2 N12 -","- C72 H56 Cl8 Hg8 N48 -","4","1","","Chan, Zhi-Kai; Chen, Tsun-Ren; Chen, Jhy-Der; Wang, Ju-Chun; Liu, C. W.","Crystal structures and solution behaviors of dinuclear d(10)-metal complexes containing anions of N,N'-bis(pyrimidine-2-yl)formamidine.","Dalton transactions (Cambridge, England : 2003)","2007","","31","3450","3458","10.1039/b703727a","","","0.71073","MoKα","","0.0551","0.0333","","","0.0651","0.0732","","","","","","1.084","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005641","14.466","0.002","16.1116","0.0015","10.3394","0.0014","90","","90","","90","","2409.8","0.5","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 Br2 Hg2 N12 -","- C18 H14 Br2 Hg2 N12 -","- C72 H56 Br8 Hg8 N48 -","4","1","","Chan, Zhi-Kai; Chen, Tsun-Ren; Chen, Jhy-Der; Wang, Ju-Chun; Liu, C. W.","Crystal structures and solution behaviors of dinuclear d(10)-metal complexes containing anions of N,N'-bis(pyrimidine-2-yl)formamidine.","Dalton transactions (Cambridge, England : 2003)","2007","","31","3450","3458","10.1039/b703727a","","","0.71073","MoKα","","0.106","0.0493","","","0.0878","0.1077","","","","","","1.037","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005648","15.1065","0.0013","11.8885","0.0009","11.0631","0.001","90","","90","","90","","1986.9","0.3","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","Copper(ii) Dithionate 1:2 Complex with 4,4'-Bipyridazine, Dihydrate","Copper(II) Dithionate 1:2 Complex with 4,4'-Bipyridazine, Dihydrate","","- C16 H16 Cu N8 O8 S2 -","- C16 H16 Cu N8 O8 S2 -","- C64 H64 Cu4 N32 O32 S8 -","4","1","","Konstantin V. Domasevitch; Il'ya A. Gural'skiy; Pavlo V. Solntsev; Eduard B. Rusanov; Harald Krautscheid; Judith A. K. Howard; Alexander N. Chernega","4,4'-Bipyridazine: a new twist for the synthesis of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2007","","29","3140","3148","10.1039/b703911e","","","0.71073","MoKα","","0.0506","0.0438","","","0.1053","0.1068","","","","","","1.048","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7005713","9.7997","0.0009","16.6091","0.0016","16.043","0.0015","90","","90","","90","","2611.2","0.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H24 Cl2 Mn N10 O8 -","- C18 H24 Cl2 Mn N10 O8 -","- C72 H96 Cl8 Mn4 N40 O32 -","4","1","","Brewer, Greg; Butcher, Ray J.; Viragh, Carol; White, Genevieve","Supramolecular assemblies prepared from an iron(ii) tripodal imidazole complex. A molecular scaffolding for the self assembly of icosahedral complexes of K+, Rb+, Cs+ and NH4+ cations","Dalton Transactions","2007","","37","4132","","10.1039/b704823h","","","0.71073","MoKα","","0.0412","0.0326","","","0.0702","0.0737","","","","","","1.032","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7005773","20.719","0.004","7.7269","0.0015","24.432","0.005","90","","90","","90","","3911.4","1.3","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H54 Bi Br N4 O2 -","- C42 H54 Bi Br N4 O2 -","- C168 H216 Bi4 Br4 N16 O8 -","4","1","","Brym, Markus; Forsyth, Craig M.; Jones, Cameron; Junk, Peter C.; Rose, Richard P.; Stasch, Andreas; Turner, David R.","Ligand effects in the syntheses and structures of novel heteroleptic and homoleptic bismuth(III) formamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3282","3288","10.1039/b705202b","","","0.71073","MoKα","","0.0685","0.0606","","","0.1509","0.1584","","","","","","1.034","","","","has coordinates,has disorder","179761","2020-10-21","18:00:00",""
"7005810","6.724","0.0006","17.6254","0.0015","9.2172","0.0007","90","","90","","90","","1092.36","0.16","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H10 Cl F N2 Pt -","- C11 H10 Cl F N2 Pt -","- C44 H40 Cl4 F4 N8 Pt4 -","4","1","","Newman, Christopher P.; Casey-Green, Katherine; Clarkson, Guy J.; Cave, Gareth W. V.; Errington, W.; Rourke, Jonathan P.","Cyclometallated platinum(II) complexes: oxidation to, and C-H activation by, platinum(IV).","Dalton transactions (Cambridge, England : 2003)","2007","","29","3170","3182","10.1039/b705609e","","","0.71073","MoKα","","0.0456","0.0304","","","0.0666","0.0697","","","","","","0.909","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7005865","23.707","0.002","16.7698","0.0014","11.2147","0.001","90","","90","","90","","4458.5","0.7","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H45 Fe2 O4 P3 S2 -","- C48 H45 Fe2 O4 P3 S2 -","- C192 H180 Fe8 O16 P12 S8 -","4","1","","Adam, Fatima I.; Hogarth, Graeme; Richards, Idris; Sanchez, Benjamin E.","Models of the iron-only hydrogenase: structural studies of chelating diphosphine complexes [Fe2(CO)4(micro-pdt)(kappa2P,P'-diphosphine)].","Dalton transactions (Cambridge, England : 2003)","2007","","24","2495","2498","10.1039/b706123b","","","0.71073","MoKα","","0.0726","0.0447","","","0.0716","0.0764","","","","","","0.937","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7005993","7.8979","0.0006","7.6099","0.0006","20.9804","0.0016","90","","90","","90","","1260.97","0.17","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H20 N4 Ni O6 -","- C6 H20 N4 Ni O6 -","- C24 H80 N16 Ni4 O24 -","4","1","","Gavrish, Sergey P.; Lampeka, Yaroslaw D.; Lightfoot, Philip; Pritzkow, Hans","Crystal and molecular structures of related nickel(II) complexes of open-chain and macrocyclic oxamide-based ligands and the peculiarities of water aggregates in their crystal lattices.","Dalton transactions (Cambridge, England : 2003)","2007","","41","4708","4714","10.1039/b708006a","","","0.71073","MoKα","","0.0238","0.0233","","","0.0607","0.0609","","","","","","1.062","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7006137","13.087","0.003","9.2883","0.0019","17.99","0.004","90","","90","","90","","2186.8","0.8","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H36 B Cl2 N3 -","- C19 H36 B Cl2 N3 -","- C76 H144 B4 Cl8 N12 -","4","1","","Pierce, Glesni A.; Coombs, Natalie D.; Willock, David J.; Day, Joanna K.; Stasch, Andreas; Aldridge, Simon","Insertion reactions of dicyclohexylcarbodiimide with aminoboranes, -boryls and -borylenes.","Dalton transactions (Cambridge, England : 2003)","2007","","39","4405","4412","10.1039/b709249k","","","0.71073","MoKα","","0.0502","0.0415","","","0.0953","0.1","","","","","","1.026","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006233","24.973","0.005","26.951","0.005","27.543","0.006","90","","90","","90","","18538","6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C109.5 H146 Ga8 N31 O45 -","- C109.6 H120 Ga8 N31 O45 -","- C438.4 H480 Ga32 N124 O180 -","4","1","","Park, Mira; John, Rohith P.; Moon, Dohyun; Lee, Kyungjin; Kim, Ghyung Hwa; Lah, Myoung Soo","Two octanuclear gallium metallamacrocycles of topologically different connectivities.","Dalton transactions (Cambridge, England : 2003)","2007","","46","5412","5418","10.1039/b710531b","","","0.7","synchrotron","","0.0653","0.0437","","","0.1036","0.1098","","","","","","0.936","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006342","13.7508","0.0003","8.015","0.0002","19.3724","0.0006","90","","90","","90","","2135.08","0.1","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H18 Cl2 Cu N8 O12 -","- C12 H18 Cl2 Cu N8 O12 -","- C48 H72 Cl8 Cu4 N32 O48 -","4","1","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0741","0.0511","","","0.1211","0.1458","","","","","","1.101","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006346","13.663","0.0002","8.2483","0.0001","19.875","0.0003","90","","90","","90","","2239.84","0.05","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H20 Cl2 Cu N6 O11 -","- C15 H20 Cl2 Cu N6 O11 -","- C60 H80 Cl8 Cu4 N24 O44 -","4","1","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0568","0.042","","","0.0991","0.1154","","","","","","1.081","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006380","24.791","0.002","6.5425","0.0006","12.4486","0.0012","90","","90","","90","","2019.1","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Eu N9 O8 Ru -","- C12 H16 Eu N9 O8 Ru -","- C48 H64 Eu4 N36 O32 Ru4 -","4","1","","Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.","New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","1","39","50","10.1039/b509042c","","","0.71073","MoKα","","0.0208","0.0185","","","0.0417","0.0425","","","","","","1.048","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006421","19.4009","0.0005","15.0454","0.0004","15.8448","0.0007","90","","90","","90","","4625","0.3","133","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H68 Au2 Cl2 P2 -","- C46 H68 Au2 Cl2 P2 -","- C184 H272 Au8 Cl8 P8 -","4","1","","Ito, Shigekazu; Freytag, Matthias; Yoshifuji, Masaaki","Structural and coordination properties of 1,2-bis(cyclopropyl)-3,4-bis(2,4,6-tri-tert-butylphenyl)-3,4-diphosphinidenecyclobutene prepared by dehydrogenative homocoupling of 3-cyclopropyl-1-(2,4,6-tri-tert-butylphenyl)-1-phosphaallene.","Dalton transactions (Cambridge, England : 2003)","2006","","5","710","713","10.1039/b510432g","","","0.7107","MoK\/Ya","","","0.0314","","","","0.038","","","","","","0.789","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006429","24.5597","0.0016","4.9197","0.0004","5.7769","0.0004","90","","90","","90","","698","0.09","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 Mn O6 P -","- C3 Mn O6 P -","- C12 Mn4 O24 P4 -","4","1","","Gómez-Alcantara, M Mar; Aranda, Miguel A. G.; Olivera-Pastor, Pascual; Beran, Premysl; García-Muñoz, José L; Cabeza, Aurelio","Layered and pillared metal carboxyethylphosphonate hybrid compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","4","577","585","10.1039/b510482c","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07817","","2.21","","","","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006448","12.2294","0.001","13.5896","0.0011","17.0826","0.0014","90","","90","","90","","2839","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H33 Cu N4 O2 -","- C33 H33 Cu N4 O2 -","- C132 H132 Cu4 N16 O8 -","4","1","","Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Boxwell, Clive J.; Whitwood, Adrian C.; Walton, Paul H.","Syntheses of copper(I)cis-1,3,5-tri-iminocyclohexane complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1790","1795","10.1039/b510703b","","","0.71073","MoKα","","0.0289","0.0261","","","0.0632","0.0643","","","","","","0.987","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006472","19.5306","0.0019","5.9972","0.0006","12.6084","0.0013","90","","90","","90","","1476.8","0.3","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,1'-(2-pyrimidyl)ferrocene","1,1'-(2-pyrimidyl)ferrocene","","- C18 H14 Fe N4 -","- C18 H14 Fe N4 -","- C72 H56 Fe4 N16 -","4","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.71073","MoKα","","0.0355","0.0325","","","0.0831","0.0852","","","","","","1.065","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006592","10.306","0.003","32.019","0.011","13.807","0.005","90","","90","","90","","4556","3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H65 Cl2 N5 O3 V -","- C47 H65 Cl2 N5 O3 V -","- C188 H260 Cl8 N20 O12 V4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.1917","0.0656","","","0.0915","0.1215","","","","","","0.923","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006839","18.794","0.0004","18.5198","0.0004","20.7545","0.0005","90","","90","","90","","7223.8","0.3","223","2","223","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","(K(dme)4)((Si(NEt)2C6H4)4).(dme)","","","- C60 H106 K N8 O10 Si4 -","- C60 H106 K N8 O10 Si4 -","- C240 H424 K4 N32 O40 Si16 -","4","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.71073","MoKα","","0.0814","0.0567","","","0.1093","0.1191","","","","","","1.065","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006889","20.705","0.003","8.6844","0.0009","37.396","0.003","90","","90","","90","","6724.2","1.3","294","1","294","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H45 Au B10 N P Te -","- C26 H45.0005 Au B10 N P Te -","- C208 H360.004 Au8 B80 N8 P8 Te8 -","8","2","","Ferguson, George; Gallagher, John F.; Kennedy, John D.; Kelleher, Anne-Marie; Spalding, Trevor R.","Pentahapto-bonded gold heteroborane clusters [3-(R3P)-closo-2,1-AuTeB10H10]- and [3-(R3P)-closo-3,1,2-AuAs2B9H9]-.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2133","2139","10.1039/b515165a","","","0.71073","MoKα","","0.1269","0.0498","","","0.0957","0.1128","","","","","","0.903","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006904","27.3324","0.0004","12.9324","0.0002","25.6423","0.0004","90","","90","","90","","9063.9","0.2","150","1","150","1","","","","","","","","9","P n a 21","P 2c -2n","33","(Co6(bpyany)(NCS)2)(PF6)","","","- C80 H62 Cl12 Co6 F6 N26 O P S2 -","- C80 H62 Cl12 Co6 F6 N26 O P S2 -","- C320 H248 Cl48 Co24 F24 N104 O4 P4 S8 -","4","1","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Peng, Shie-Ming","Novel linear hexanuclear cobalt string complexes (Co6(12+)) and one-electron reduction products (Co6(11+)) supported by four bpyany2- ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2106","2113","10.1039/b515311e","","","0.71073","MoKα","","0.0937","0.0722","","","0.1943","0.2117","","","","","","1.041","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7006936","22.113","0.003","8.4446","0.0014","8.9661","0.0008","90","","90","","90","","1674.3","0.4","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H22 N2 O2 S -","- C17 H22 N2 O2 S -","- C68 H88 N8 O8 S4 -","4","1","","Squires, Clare; Baxter, Christopher W.; Campbell, John; Lindoy, Leonard F.; McNab, Hamish; Parkin, Andrew; Parsons, Simon; Tasker, Peter A.; Wei, Gang; White, David J.","Design of base metal extractants. Part 1. Inter-ligand hydrogen bonding in the assembly of pseudo-macrocyclic bis(aminosulfonamidato)M(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","2026","2034","10.1039/b515650p","","","0.71073","MoKα","","0.1042","0.0539","","","0.0884","0.1034","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006943","8.967","0.009","9.031","0.008","13.328","0.013","90","","90","","90","","1079.3","1.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H12 Ag2 Cl N3 -","- C6 H12 Ag2 Cl N3 -","- C24 H48 Ag8 Cl4 N12 -","4","1","","Liu, Xi; Guo, Guo-Cong; Fu, Ming-Lai; Chen, Wen-Tong; Zhang, Zhang-Jing; Huang, Jin-Shun","Two novel halogeno(cyano)argentates with efficient luminescence.","Dalton transactions (Cambridge, England : 2003)","2006","","7","884","886","10.1039/b515652c","","","0.71073","MoKα","","0.088","0.0679","","","0.2009","0.2199","","","","","","1.001","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006989","17.405","0.004","36.5","0.009","14.163","0.004","90","","90","","90","","8998","4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C72 H128 Br Cl5 Cu N8 O20 -","- C72 H128 Br Cl5 Cu N8 O20 -","- C288 H512 Br4 Cl20 Cu4 N32 O80 -","4","1","","An, Yan; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan","Double-strand DNA cleavage by copper complexes of 2,2'-dipyridyl with electropositive pendants.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2066","2071","10.1039/b516132k","","","0.71073","MoKα","","0.1462","0.0915","","","0.2448","0.3021","","","","","","1.034","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006997","14.05","0.002","16.884","0.003","21.878","0.003","90","","90","","90","","5189.9","1.4","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H68 Li4 N8 Si2 -","- C48 H68 Li4 N8 Si2 -","- C192 H272 Li16 N32 Si8 -","4","1","","Bai, Sheng-Di; Guo, Jian-Ping; Liu, Dian-Sheng","A convenient route to silyl linked bis(amidinate) ligands and synthesis of group(I) metal derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2244","2250","10.1039/b516283a","","","0.71073","MoKα","","0.081","0.0741","","","0.1712","0.1757","","","","","","1.103","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7007154","13.3899","0.0018","14.2532","0.0016","37.468","0.005","90","","90","","90","","7150.7","1.6","155","2","155","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H42 Cu4 F24 N20 O4 Sb4 -","- C56 H42 Cu4 F24 N20 O4 Sb4 -","- C224 H168 Cu16 F96 N80 O16 Sb16 -","4","1","","Shatruk, Mikhail; Chouai, Abdellatif; Dunbar, Kim R.","Influence of anions on the dimensionality of extended networks based on Cu I cations and 1,4,5,8,9,12-hexaazatriphenylene (HAT) ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","18","2184","2191","10.1039/b600306k","","","0.71073","MoKα","","0.0625","0.0553","","","0.1363","0.1405","","","","","","1.113","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007461","19.185","0.002","8.806","0.003","14.696","0.002","90","","90","","90","","2482.8","0.9","290","2","290","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H32 Li N5 O S Si -","- C19 H32 Li N5 O S Si -","- C76 H128 Li4 N20 O4 S4 Si4 -","4","1","","Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Barba, Luis; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M","Design of new heteroscorpionate ligands and their coordinative ability toward Group 4 transition metals; an efficient synthetic route to obtain enantiopure ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4359","4370","10.1039/b605703a","","","0.71073","MoKα","","0.236","0.0769","","","0.1852","0.2391","","","","","","1.016","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007710","15.4223","0.0012","10.8193","0.0008","17.8969","0.0014","90","","90","","90","","2986.2","0.4","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","bis(1,8-bis(dimethylamino)naphth-2-yl)(phenyl)phosphine","bis(1,8-bis(dimethylamino)naphth-2-yl)(phenyl)phosphine","","- C34 H39 N4 P -","- C34 H39 N4 P -","- C136 H156 N16 P4 -","4","1","","Farrer, Nicola J.; McDonald, Robert; McIndoe, J. Scott","Proton sponge phosphines: electrospray-active ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4570","4579","10.1039/b609561e","","","0.71073","MoKα","","0.0657","0.0503","","","0.1269","0.1374","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007899","16.185","0.003","14.044","0.002","10.644","0.002","90","","90","","90","","2419.4","0.7","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","2+","","","- C19 H23 F6 N2 O3 P2 Re -","- C19 H23 F6 N2 O3 P2 Re -","- C76 H92 F24 N8 O12 P8 Re4 -","4","1","","Tsubaki, Hideaki; Tohyama, Shigeki; Koike, Kazuhide; Saitoh, Hideki; Ishitani, Osamu","Effect of intramolecular pi-pi and CH-pi interactions between ligands on structure, electrochemical and spectroscopic properties of fac-[Re(bpy)(CO)3(PR3)]+(bpy = 2,2'-bipyridine; PR3= trialkyl or triarylphosphines).","Dalton transactions (Cambridge, England : 2003)","2005","","2","385","395","10.1039/b407947g","","","0.71073","MoKα","","0.0852","0.0454","","","0.0954","0.1297","","","","","","1.123","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007923","13.167","0.0014","20.343","0.002","11.6337","0.0013","90","","90","","90","","3116.2","0.6","190","2","190","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H38 Fe2 N6 O13 -","- C30 H38 Fe2 N6 O13 -","- C120 H152 Fe8 N24 O52 -","4","1","","Brunner, Jens; Pritzkow, Hans; Krämer, Roland","Synthesis of a novel dinucleating aminocarboxylate macrocycle and structures of its dinuclear complexes with di- and trivalent transition and lanthanide metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","2","338","343","10.1039/b412775g","","","0.71073","MoKα","","0.0615","0.0446","","","0.1088","0.1209","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7007978","26.783","0.003","9.0389","0.0011","17.712","0.002","90","","90","","90","","4287.9","0.9","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C36 H45 Cl2 F6 Fe N3 O6 S2 -","- C36 H45 Cl2 F6 Fe N3 O6 S2 -","- C144 H180 Cl8 F24 Fe4 N12 O24 S8 -","4","1","","Britovsek, George J. P.; England, Jason; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.","Synthesis of iron(II), manganese(II) cobalt(II) and ruthenium(II) complexes containing tridentate nitrogen ligands and their application in the catalytic oxidation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2005","","5","945","955","10.1039/b414813d","","","0.71073","MoKα","","0.0845","0.0492","","0.1231","0.1045","","","","1.025","1.102","1.102","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008100","18.0055","0.0007","11.8078","0.0007","8.6392","0.0003","90","","90","","90","","1836.74","0.14","122.4","0.5","","","","","","","","","Local laboratory","7","P n a 21","P 2c -2n","33","p-(Co(tren-engly)) ZnCl4","","","- C10 H24 Cl4 Co N5 O2 Zn -","- C10 H24 Cl4 Co N5 O2 Zn -","- C40 H96 Cl16 Co4 N20 O8 Zn4 -","4","1","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0242","0.0225","","","0.0602","0.0645","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008106","14.7058","0.0005","16.8368","0.0005","10.5355","0.0004","90","","90","","90","","2608.58","0.15","150","","150","","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C24 H31 B Cl F4 N2 P Ru -","- C24 H31 B Cl F4 N2 P Ru -","- C96 H124 B4 Cl4 F16 N8 P4 Ru4 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0529","0.0343","","0.0614","0.0367","0.0367","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008118","19.4","0.003","8.8993","0.0012","12.6404","0.0017","90","","90","","90","","2182.3","0.5","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","nido-7,8-(bis(pyridinium)methyl)-7,8-dicarbaundecaboranyl trifluoromethanesulfonate","","","- C15 H24 B9 F3 N2 O3 S -","- C15 H24 B9 F3 N2 O3 S -","- C60 H96 B36 F12 N8 O12 S4 -","4","1","","Kalinin, V. N.; Rys, E. G.; Tyutyunov, A. A.; Starikova, Z. A.; Korlyukov, A. A.; Ol'shevskaya, V. A.; Sung, D. D.; Ponomaryov, A. B.; Petrovskii, P. V.; Hey-Hawkins, E","The first carborane triflates: synthesis and reactivity of 1-trifluoromethanesulfonylmethyl- and 1,2-bis(trifluoromethanesulfonylmethyl)-o-carborane.","Dalton transactions (Cambridge, England : 2003)","2005","","5","903","908","10.1039/b417199c","","","0.71073","MoKα","","0.0625","0.0486","","","0.1082","0.1139","","","","","","0.998","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008127","21.9","0.005","26.529","0.006","7.3441","0.0016","90","","90","","90","","4266.8","1.7","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H17 F3 Mo N6 O5 S -","- C15 H17 F3 Mo N6 O5 S -","- C120 H136 F24 Mo8 N48 O40 S8 -","8","2","","Pérez, Julio; Morales, Dolores; Nieto, Sonia; Riera, Lucía; Riera, Víctor; Miguel, Daniel","New [Mo(eta3-allyl)(CO)2L3]+ complexes with monodentate or tridentate nitrogen-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","5","884","888","10.1039/b417332e","","","0.71073","MoKα","","0.0642","0.0472","","","0.1136","0.1224","","","","","","1.105","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008137","19.062","0.004","13.874","0.003","13.588","0.003","90","","90","","90","","3593.6","1.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","AsBr4(+)(Al(OR)4)(-) (R = C(CF3)3)","AsBr4(+)[Al(OR)4](-) (R = C(CF3)3)","","- C16 Al As Br4 F36 O4 -","- C16 Al As Br4 F36 O4 -","- C64 Al4 As4 Br16 F144 O16 -","4","1","","Gonsior, Marcin; Krossing, Ingo","Preparation of stable AsBr4+ and I2As-PI3+ salts. Why didn't we succeed to prepare AsI4+ and As2X5+? A combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1203","1213","10.1039/b417629d","","","0.71073","MoKα","","0.0925","0.0394","","","0.0861","0.1022","","","","","","0.855","","","","has coordinates,has disorder","179785","2020-10-21","18:00:00",""
"7008147","19.301","0.004","8.0755","0.0016","8.7552","0.0018","90","","90","","90","","1364.6","0.5","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","Copper(ii)-1-formyl-4-acetato-1,4,7-triazacyclononane perchlorate","","","- C9 H16 Cl Cu N3 O7 -","- C9 H16 Cl Cu N3 O7 -","- C36 H64 Cl4 Cu4 N12 O28 -","4","1","","Warden, Andrew C.; Spiccia, Leone; Hearn, Milton T. W.; Boas, John F.; Pilbrow, John R.","The synthesis, structure and properties of copper(II) complexes of asymmetrically functionalized derivatives of 1,4,7-triazacyclononane.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1804","1813","10.1039/b417739h","","","0.71073","MoKα","","0.0328","0.0296","","","0.0698","0.0718","","","","","","1.069","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008203","19.1736","0.0001","11.19","0.0001","21.8237","0.0001","90","","90","","90","","4682.33","0.05","158","2","158","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H66 Fe3 O7 P2 S2 -","- C43 H66 Fe3 O7 P2 S2 -","- C172 H264 Fe12 O28 P8 S8 -","4","1","","Han, Jaehong; Coucouvanis, Dimitri","Synthesis and structure of the organometallic MFe2(mu3-S)2 clusters (M = Mo or Fe).","Dalton transactions (Cambridge, England : 2003)","2005","","7","1234","1240","10.1039/b419051c","","","0.71073","MoKα","","0.0747","0.0504","","","0.0767","0.0839","","","","","","0.954","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008220","23.852","0.0002","10.848","0.0001","17.71","0.0001","90","","90","","90","","4582.4","0.06","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H68 B10 O2 P4 Pt2 S -","- C38 H68 B10 O2 P4 Pt2 S -","- C152 H272 B40 O8 P16 Pt8 S4 -","4","1","","Bould, Jonathan; Kilner, Colin A.; Kennedy, John D.","The capture of dioxygen, carbon monoxide and sulfur dioxide by [(PMe2Ph)4Pt2B10H10].","Dalton transactions (Cambridge, England : 2003)","2005","","9","1574","1582","10.1039/b419243e","","x-ray","0.71073","MoKα","","0.0484","0.0471","","","0.1266","0.1284","","","","","","1.033","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008362","15.854","0.004","11.608","0.003","10.109","0.003","90","","90","","90","","1860.4","0.9","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd3(OAc)5NO2","","","- C10 H15 N O12 Pd3 -","- C10 H15 N O12 Pd3 -","- C40 H60 N4 O48 Pd12 -","4","1","","Bakhmutov, Vladimir I.; Berry, John F.; Cotton, F. Albert; Ibragimov, Sergey; Murillo, Carlos A.","Non-trivial behavior of palladium(II) acetate.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1989","1992","10.1039/b502122g","","","0.71073","MoKα","","0.0309","0.028","","","0.0717","0.0736","","","","","","1.06","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008394","23.5885","0.0003","7.0116","0.0001","11.5732","0.0002","90","","90","","90","","1914.13","0.05","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H22 B20 S2 -","- C4 H22 B20 S2 -","- C16 H88 B80 S8 -","4","1","","Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Benakki, Rajae; Grüner, Bohumir; Viñas, Clara","Synthesis, reactivity and structural studies of carboranyl thioethers and disulfides.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1785","1795","10.1039/b502328a","","","0.71073","MoKα","","0.0425","0.0337","","0.1065","","0.0799","","","1.033","","","1.033","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008422","22.635","0.005","17.286","0.004","10.058","0.002","90","","90","","90","","3935.4","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H35 N4 Ni3 O18.5 -","- C38 H32 N4 Ni3 O18.5 -","- C152 H128 N16 Ni12 O74 -","4","1","","Qin, Chao; Wang, Xin-Long; Li, Yang-Guang; Wang, En-Bo; Su, Zhong-Min; Xu, Lin; Clérac, Rodolphe","Three-dimensional mesomeric networks assembled from helix-linked sheets: syntheses, structures, and magnetisms.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2609","2614","10.1039/b502651b","","","0.71073","MoKα","","0.0388","0.0333","","","0.086","0.0879","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008440","21.853","0.004","8.4566","0.0017","3.827","0.0008","90","","90","","90","","707.2","0.2","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","3pypz","","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.1035","0.0494","","","0.0976","0.1203","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008508","24.5905","0.0004","6.9511","0.0001","48.2341","0.0009","90","","90","","90","","8244.7","0.2","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H32 Cd2 O4 P4 Se8 -","- C28 H32 Cd2 O4 P4 Se8 -","- C224 H256 Cd16 O32 P32 Se64 -","8","2","","Gray, Ian P.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and structure of novel [Ph(RO)PSe2]- complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","12","2188","2194","10.1039/b503793j","","","0.71073","MoKα","","0.0761","0.0618","","","0.1669","0.181","","","","","","0.956","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008629","16.812","0.002","10.5893","0.0012","10.5479","0.0011","90","","90","","90","","1877.8","0.4","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C7 H18 B10 Cl2 O3 Ru S -","- C7 H18 B10 Cl2 O3 Ru S -","- C28 H72 B40 Cl8 O12 Ru4 S4 -","4","1","","McGrath, Thomas D.; Stone, F Gordon A; Sukcharoenphon, Kengkaj","Substitution, cage functionalization, and oxidation of the charge-compensated triruthenium monocarbollide cluster complex [1-SMe2-2,2-(CO)2-7,11-(mu-H)2-2,7,11-{Ru2(CO)6}-closo-2,1-RuCB10H8].","Dalton transactions (Cambridge, England : 2003)","2005","","15","2500","2507","10.1039/b505243b","","","0.71073","MoKα","","0.1004","0.0531","","","0.1078","0.1242","","","","","","0.966","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008670","15.0823","0.0007","7.4876","0.0003","11.1036","0.0004","90","","90","","90","","1253.93","0.09","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H17 Cl O4 V -","- C8 H17 Cl2 O4 V -","- C32 H68 Cl8 O16 V4 -","4","1","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71073","MoKα","","0.0809","0.0555","","","0.1142","0.1269","","","","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008671","19.711","0.005","9.88","0.005","7.039","0.005","90","0.005","90","0.005","90","0.005","1370.8","1.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H19 Cl O4 V -","- C9 H19 Cl2 O4 V -","- C36 H76 Cl8 O16 V4 -","4","1","","Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian","Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3108","3117","10.1039/b505750g","","","0.71069","MoKα","","0.0458","0.0361","","","0.0767","0.0806","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008812","15.7052","0.001","8.2312","0.0006","10.9601","0.0008","90","","90","","90","","1416.84","0.17","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C4 H2 As F6 N O2 S4 -","- C4 H2 As F5.96 N O2 S4 -","- C16 H8 As4 F23.84 N4 O8 S16 -","4","1","","Alberola, Antonio; Farley, Robert D.; Humphrey, Simon M.; McManus, Gordon D.; Murphy, Damien M.; Rawson, Jeremy M.","EPR studies on the thiophenodithiazolyl radical, C4H2S3N.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3838","3845","10.1039/b508912c","","","0.71073","MoKα","","0.0906","0.068","","","0.1744","0.19","","","","","","1.035","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008817","26.921","0.005","13.001","0.003","18.206","0.004","90","","90","","90","","6372","2","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H68 Ni4 O16 P4 S8 -","- C44 H68 Ni4 O16 P4 S8 -","- C176 H272 Ni16 O64 P16 S32 -","4","1","","Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander","A strategy for the build-up of transition-metal complexes containing tripodal [ArPOS2]2- and [ArPS3]2- ligands (Ar = 4-anisyl).","Dalton transactions (Cambridge, England : 2003)","2005","","24","3909","3912","10.1039/b509117a","","","0.71073","MoKα","","0.1927","0.1262","","","0.2775","0.3167","","","","","","1.065","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008828","21.66","0.0009","8.865","0.0004","16.8908","0.0007","90","","90","","90","","3243.3","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H30 Br2 N2 P2 Se -","- C36 H30 Br2 N2 P2 Se -","- C144 H120 Br8 N8 P8 Se4 -","4","1","","Clegg, William; Dale, Sophie H.; Drennan, Dennis; Kelly, Paul F.","The use of the bromosulfimide Ph2S=NBr as nitrogen source in reactions with selenium-based systems.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3140","3142","10.1039/b509382a","","","0.71073","MoKα","","0.0498","0.0326","","","0.0578","0.0626","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008967","26.8148","0.0003","11.2892","0.0002","14.9759","0.0002","90","","90","","90","","4533.47","0.11","200","2","200","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C38.5 H35 F12 N7 Ni O0.25 P2 S2 -","- C38.5 H35 F12 N7 Ni O0.25 P2 S2 -","- C154 H140 F48 N28 Ni4 O P8 S8 -","4","1","","Priimov, Gleb U.; Moore, Peter; Maritim, Philip K.; Butalanyi, Pamela K.; Alcock, Nathaniel W.","Synthesis of two covalently linked bis(2,2':6',2″-terpyridine) (terpy) chelating ligands with different length spacers, comparison of the crystal structures of their mononuclear nickel(II) complexes, and kinetic and mechanistic studies of the reaction of one ligand with [Fe(terpy)2]2+","Journal of the Chemical Society, Dalton Transactions","2000","","4","445","","10.1039/a907543g","","","0.71073","MoKα","","0.1267","0.0606","","","0.1407","0.1826","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7009051","24.777","0.005","9.4508","0.0016","18.736","0.004","90","","90","","90","","4387.3","1.5","223","2","223","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C42 H46 B N5 O3 S2 Zn -","- C42 H46 B N5 O3 S2 Zn -","- C168 H184 B4 N20 O12 S8 Zn4 -","4","1","","Kimblin, Clare; Bridgewater, Brian M.; Hascall, Tony; Parkin, Gerard","The synthesis and structural characterization of bis(mercaptoimidazolyl)hydroborato complexes of lithium, thallium and zinc †","Journal of the Chemical Society, Dalton Transactions","2000","","6","891","","10.1039/a908411h","","","0.71073","MoKα","","0.2641","0.0788","","","0.0822","0.1085","","","","","","1.004","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009209","14.519","0.003","22.552","0.005","16.361","0.003","90","","90","","90","","5357.1","1.9","150","2","150","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C41 H53 As4 Cl F12 N2 O2 P2 Ru -","- C41 H53 As4 Cl F12 N2 O2 P2 Ru -","- C164 H212 As16 Cl4 F48 N8 O8 P8 Ru4 -","4","1","","Coe, Benjamin J.; Beyer, Tim; Jeffery, John C.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","A spectroscopic, electrochemical and structural study of polarizable, dipolar ruthenium(II) arsine complexes as models for chromophores with large quadratic non-linear optical responses","Journal of the Chemical Society, Dalton Transactions","2000","","5","797","","10.1039/a909336b","","","0.71073","MoKα","","0.1323","0.0547","","","0.1143","0.1498","","","","","","0.771","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009390","18.104","0.003","11.5602","0.0016","14.2505","0.0019","90","","90","","90","","2982.4","0.8","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 Li2 N6 -","- C32 H32 Li2 N6 -","- C128 H128 Li8 N24 -","4","1","","Clegg, William; Horsburgh, Lynne; Liddle, Stephen T.; Mackenzie, Fiona M.; Mulvey, Robert E.; Robertson, Alan","The changing structural chemistry of lithium anilide on solvation by pyridine, 4-methylpyridine or 4-tert-butylpyridine","Journal of the Chemical Society, Dalton Transactions","2000","","7","1225","","10.1039/b000576m","","","0.71073","MoKα","","0.0699","0.0604","","","0.1514","0.1594","","","","","","1.095","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009433","18.958","0.006","12.485","0.001","7.187","0.001","90","","90","","90","","1701.1","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H15 Cl2 Mo -","- C19 H15 Cl2 Mo -","- C76 H60 Cl8 Mo4 -","4","1","","Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe","Synthesis, characterisation, and molecular and electronic structure of CpMoCl2(R1CCR2) (R1, R2 = Ph, Et, Me): a new class of half-sandwich 17-electron molybdenum(III) organometallics","Journal of the Chemical Society, Dalton Transactions","2000","","9","1499","","10.1039/b000948m","","","0.71073","MoKα","","0.0231","0.0198","","0.0526","","0.0512","","","1.072","","","1.075","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7009444","15.4564","0.0003","8.4266","0.0002","10.056","0.0002","90","","90","","90","","1309.74","0.05","106","2","106","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H18 Cl3 N5 O2 Ru -","- C4 H18 Cl3 N5 O2 Ru -","- C16 H72 Cl12 N20 O8 Ru4 -","4","1","","Kawano, Masaki; Ishikawa, Ayako; Morioka, Yoshiyuki; Tomizawa, Hiroshi; Miki, Ei-ichi; Ohashi, Yuji","X-Ray diffraction and spectroscopic studies of the light-induced metastable state of a ethylenediamine nitrosyl ruthenium complex","Journal of the Chemical Society, Dalton Transactions","2000","","14","2425","","10.1039/b001132k","","","0.71073","MoKα","","0.0184","0.0152","","","0.0316","0.0322","","","","","","0.981","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7009445","15.4889","0.0003","8.4263","0.0002","10.0578","0.0002","90","","90","","90","","1312.68","0.05","106","2","106","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H18 Cl3 N5 O2 Ru -","- C4 H16.56 Cl3 N5 O2 Ru -","- C16 H66.24 Cl12 N20 O8 Ru4 -","4","1","","Kawano, Masaki; Ishikawa, Ayako; Morioka, Yoshiyuki; Tomizawa, Hiroshi; Miki, Ei-ichi; Ohashi, Yuji","X-Ray diffraction and spectroscopic studies of the light-induced metastable state of a ethylenediamine nitrosyl ruthenium complex","Journal of the Chemical Society, Dalton Transactions","2000","","14","2425","","10.1039/b001132k","","","0.71073","MoKα","","0.0238","0.0184","","","0.0367","0.0375","","","","","","1.01","","","","has coordinates,has disorder","179798","2020-10-21","18:00:00",""
"7009569","22.248","0.003","20.648","0.004","11.784","0.002","90","","90","","90","","5413.3","1.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C62 H60 N9 Ru -","- C62 H60 N9 Ru -","- C248 H240 N36 Ru4 -","4","1","","Bailey, Philip J.; Grant, Keith J.; Mitchell, Lindsey A.; Pace, Stuart; Parkin, Andrew; Parsons, Simon","Guanidinates as chelating anionic ligands for early, middle and late transition metals: syntheses and crystal structures of [Ti{η2-(NPh)2CNEt2}2Cl2], [Ru{η2-(NPh)2CNHPh}3] and [Pt{η2-(NPh)2CNHPh}2]","Journal of the Chemical Society, Dalton Transactions","2000","","12","1887","","10.1039/b001992p","","","1.54184","CuKα","","0.0824","0.0544","","0.1358","0.1096","","","","1.043","1.034","1.034","","","","","has coordinates,has disorder","179799","2020-10-21","18:00:00",""
"7009646","31.099","0.006","10.908","0.002","14.867","0.003","90","","90","","90","","5043.3","1.7","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H51 Cu4 I6 N O12 Rb2 -","- C26 H51 Cu4 I6 N O12 Rb2 -","- C104 H204 Cu16 I24 N4 O48 Rb8 -","4","1","","Rusanova, Julia A.; Domasevitch, Konstantin V.; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Rusanov, Eduard B.; Nedelko, Sergey G.; Chukova, Oksana V.; Ahrens, Birte; Raithby, Paul R.","New luminescent copper(I) halide complexes containing Rb+ complexes of 18-crown-6 as counter ions prepared from zerovalent copper","Journal of the Chemical Society, Dalton Transactions","2000","","13","2175","","10.1039/b002451l","","","1.54178","CuKα","","0.1063","0.0654","","","0.1404","0.1602","","","","","","1.02","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009681","15.369","0.006","16.609","0.0006","12.455","0.006","90","","90","","90","","3179","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H27 Cl3 N3 O Ta -","- C26 Cl3 N3 O Ta -","- C104 Cl12 N12 O4 Ta4 -","4","1","","Fandos, Rosa; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, Maria José; Terreros, Pilar","Synthesis and characterization of 2-pyridylalkoxide complexes of titanium, zirconium and tantalum. Crystal structures of TiCp*Me2(OCMePy2) and TaCp*Cl3(OCPy3) (Cp* = η5-C5Me5, Py = C5H4N)","Journal of the Chemical Society, Dalton Transactions","2000","","17","2990","","10.1039/b002693j","","","0.7107","MoKα","","0.0879","0.079","","","0.2214","0.2443","","","","","","1.128","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009776","7.3835","0.0001","15.214","0.0005","12.1963","0.0004","90","","90","","90","","1370.04","0.07","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","alpha - cuprous dicyanamide 1,2-bis(4-pyridyl)ethene","","- C14 H10 Cu N5 -","- C14 H10 Cu N5 -","- C56 H40 Cu4 N20 -","4","1","","Batten, Stuart R.; Harris, Alexander R.; Jensen, Paul; Murray, Keith S.; Ziebell, Angela","Copper(I) dicyanamide coordination polymers: ladders, sheets, layers, diamond-like networks and unusual interpenetration †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3829","","10.1039/b003527k","","","0.71073","MoKα","","0.0324","0.0256","","","0.0519","0.0542","","","","","","1.04","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009807","22.8114","0.0011","15.4407","0.0007","11.4207","0.0005","90","","90","","90","","4022.6","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-3PhOMe","","","- C41 H40 Co N6 O9 -","- C41 H40 Co N6 O9 -","- C164 H160 Co4 N24 O36 -","4","1","","Biradha, Kumar; Mondal, Arunendu; Moulton, Brian; Zaworotko, Michael J.","Coexisting covalent and non-covalent planar networks in the crystal structures of {[M(bipy)2(NO3)2]·arene}n (M = Ni, 1; Co, 2; arene = chlorobenzene, o-dichlorobenzene, benzene, nitrobenzene, toluene or anisole) †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3837","","10.1039/b003733h","","","0.71073","MoKα","","0.0689","0.0502","","0.1609","0.1501","","","","1.134","1.205","1.205","","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009821","20.0653","0.0015","16.9217","0.0017","11.7368","0.0015","90","","90","","90","","3985.1","0.7","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H41 B10 Fe Mo O5 P -","- C34 H41 B10 Fe Mo O5 P -","- C136 H164 B40 Fe4 Mo4 O20 P4 -","4","1","","Ellis, Dianne D.; Franken, Andreas; Jelliss, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin","Contemporary bimetallic molecules: an unusual class of exo-closo metallacarbaboranes having no metal‒metal bonds","Journal of the Chemical Society, Dalton Transactions","2000","","15","2509","","10.1039/b003766o","","","0.71073","MoKα","","0.082","0.0486","","","0.089","0.1023","","","","","","1.036","","","","has coordinates,has disorder","179802","2020-10-21","18:00:00",""
"7009845","15.5279","0.0011","14.2292","0.001","21.811","0.0015","90","","90","","90","","4819.1","0.6","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H32 Cl2 Mo N2 O2 -","- C22 H32 Cl2 Mo N2 O2 -","- C176 H256 Cl16 Mo8 N16 O16 -","8","2","","del Río, Diego; Montilla, Francisco; Pastor, Antonio; Galindo, Agustín; Monge, Angeles; Gutiérrez-Puebla, Enrique","Steric versus electronic effects in six-co-ordinate d0 cis-bis(imido) molybdenum complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","14","2433","","10.1039/b003998p","","","0.71073","MoKα","","0.0366","0.0292","","0.0639","0.0606","","","","1.032","1.037","1.037","","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7010136","16.7796","0.0001","10.0141","0.0001","9.094","0.0001","90","","90","","90","","1528.09","0.02","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H19 Cl N2 O2 Pt S -","- C12 H19 Cl N2 O2 Pt S -","- C48 H76 Cl4 N8 O8 Pt4 S4 -","4","1","","Albrecht, Martin; Lutz, Martin; Schreurs, Antoine M. M.; Lutz, Egbert T. H.; Spek, Anthony L.; van Koten, Gerard","Self-assembled organoplatinum(II) supermolecules as crystalline, SO2 gas-triggered switches †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3797","","10.1039/b006419j","","","0.71073","MoKα","","0.0214","0.021","","","0.0529","0.0531","","","","","","1.054","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010201","19.012","0.004","9.359","0.002","34.315","0.007","90","","90","","90","","6106","2","293","2","293","2","","","","","","","dichloromethane/hexane at -30 deg. C.","4","P n a 21","P 2c -2n","33","","","","- C28 H12 O12 Ru4 -","- C28 H12 O12 Ru4 -","- C224 H96 O96 Ru32 -","8","2","","Clarke, Lionel P.; Davies, John E.; Raithby, Paul R.; Shields, Gregory P.","Novel coordination modes of partially hydrogenated diyne ligands on metal carbonyl clusters †","Journal of the Chemical Society, Dalton Transactions","2000","","24","4527","","10.1039/b006810l","","","0.71073","MoKα","","0.1241","0.0602","","0.2325","0.1438","","","","1.04","1.02","1.02","","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7010380","13.277","0.008","13.314","0.007","8.669","0.005","90","","90","","90","","1532.4","1.5","163","2","163","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H20 Cl Co N4 O8 -","- C10 H20 Cl Co N4 O8 -","- C40 H80 Cl4 Co4 N16 O32 -","4","1","","Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R.","Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) †","Journal of the Chemical Society, Dalton Transactions","2001","","5","758","","10.1039/b008350j","","","0.71073","MoKα","","0.0685","0.0609","","","0.1555","0.1588","","","","","","1.072","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010413","16.7598","0.0018","12.55","0.0011","7.2607","0.0018","90","","90","","90","","1527.2","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","[2-(_7-C7H7)-7,11-F2-2,1-MoTeB10H8]","","","- C7 H15 B10 F2 Mo Te -","- C7 H15 B10 F2 Mo Te -","- C28 H60 B40 F8 Mo4 Te4 -","4","1","","Fabrizia Fabrizi di Biani; Franco Laschi; Piero Zanello; George Ferguson; James Trotter; Gerald M. O'Riordan; Trevor R. Spalding","Synthesis, structure, spectroscopic and electrochemical study of the paramagnetic compound [2-(η7-C7H7)-7,11-F2-2,1-closo-MoTeB10H8]","J. Chem. Soc., Dalton Trans.","2001","","9","1520","1523","10.1039/b008692o","","","0.71073","MolybdenumKα","","0.0422","0.0291","","","0.0652","0.0685","","","","","","1.005","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7010420","10.6622","0.0006","29.681","0.002","9.2715","0.0005","90","","90","","90","","2934.1","0.3","297","2","297","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H38 Ag F6 N2 O4 P -","- C26 H38 Ag F6 N2 O4 P -","- C104 H152 Ag4 F24 N8 O16 P4 -","4","1","","Hambley, Trevor W.; Lindoy, Leonard F.; Reimers, Jeffrey R.; Turner, Peter; Wei, Gang; Widmer-Cooper, Asaph N.","Macrocyclic ligand design. X-Ray, DFT and solution studies of the effect of N-methylation and N-benzylation of 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane on its affinity for selected transition and post-transition metal ions","Journal of the Chemical Society, Dalton Transactions","2001","","5","614","","10.1039/b008789k","","","0.71073","MoKα","","0.036","0.0319","","","0.0812","0.0834","","","","","","1.172","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010431","29.844","0.001","10.7577","0.0006","26.255","0.001","90","","90","","90","","8429.2","0.6","173.2","","173.2","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C40 H35 F12 N4 O P3 Ru -","- C40 H35 F12 N4 O P3 Ru -","- C320 H280 F96 N32 O8 P24 Ru8 -","8","2","","Rogers, Cerrie W.; Patrick, Brian O.; Rettig, Steven J.; Wolf, Michael O.","Ligand-assisted O-dealkylation of bis(bipyridyl) ruthenium(II) phosphine-ether complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1278","","10.1039/b008931l","","","0.7107","MoKα","","0.0935","0.0547","","","0.1065","0.1179","","","","","","0.919","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010453","15.085","0.003","12.966","0.002","7.6366","0.0013","90","","90","","90","","1493.7","0.5","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H18 Cu N8 O2 -","- C12 H18 Cu N8 O2 -","- C48 H72 Cu4 N32 O8 -","4","1","","Fabre, Paul-Louis; Galibert, Anne Marie; Soula, Brigitte; Dahan, Françoise; Castan, Paule","Complexation of 3,4-bis(cyanamido)cyclobutane-1,2-dione dianion with copper. Crystal structures and spectroscopic data of copper-(I) and -(II) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","9","1529","","10.1039/b009239h","","","0.71073","MoKα","","0.0394","0.0334","","","0.0622","0.0643","","","","","","1.061","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010511","16.664","0.001","13.455","0.005","8.546","0.001","90","","90","","90","","1916.1","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-chloro-2-{tris-(tert-butyl)phosphino}-1,3,2-benzodioxaborole","","- C18 H31 B Cl O2 P -","- C18 H31 B Cl O2 P -","- C72 H124 B4 Cl4 O8 P4 -","4","1","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0306","0.0257","","","0.058","0.0598","","","","","","0.998","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010590","22.507","0.003","11.769","0.003","19.066","0.004","90","","90","","90","","5050.3","1.8","173","2","173","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C52 H44 Cl2 F6 Mn N O P5 Sn -","- C52 H44 Cl2 F6 Mn N O P5 Sn -","- C208 H176 Cl8 F24 Mn4 N4 O4 P20 Sn4 -","4","1","","Anderson, Kirsty M.; Connelly, Neil G.; Goodwin, Nicholas J.; Lewis, Gareth R.; Moreno, Maria Teresa; Orpen, A. Guy; Wood, Andrew J.","Cyanide-bridged complexes with Sn(II)Mn(I), Sn(II)Mn(II), Sn(IV)Mn(I) and Sn(IV)Mn(II) oxidation states †","Journal of the Chemical Society, Dalton Transactions","2001","","9","1421","","10.1039/b100721l","","","0.71073","MoKα","","0.105","0.0711","","","0.1875","0.2058","","","","","","1.045","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00",""
"7010617","11.0101","0.0007","10.4007","0.0007","15.1835","0.0009","90","","90","","90","","1738.7","0.19","200","3","200","3","","","","","","","crystal provided by C. Aubauer","3","P n a 21","P 2c -2n","33","(PI4)(GaI4)","tetraiodophosphonium-tetraiodogallate","","- Ga I8 P -","- Ga I8 P -","- Ga4 I32 P4 -","4","1","","Christoph Aubauer; Martin Kaupp; Thomas M. Klapötke; Heinrich Nöth; Holger Piotrowski; Wolfgang Schnick; Jürgen Senker; Max Suter","Characterisation of the tetrahalophosphonium cations PBrnI4 − n+ (0 ≤ n ≤ 4) by 31P MAS NMR, IR and Raman spectroscopy and the crystal structures of PI4+AlCl4−, PI4+AlBr4− and PI4+GaI4−","J. Chem. Soc., Dalton Trans.","2001","","12","1880","1889","10.1039/b101197i","","","0.71073","MoKα","","0.0516","0.0377","","","0.0758","0.0785","","","","","","0.941","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010660","21.218","0.0004","10.6229","0.0002","16.4624","0.0004","90","","90","","90","","3710.57","0.13","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H42 Fe N O P Pd -","- C43 H42 Fe N O P Pd -","- C172 H168 Fe4 N4 O4 P4 Pd4 -","4","1","","Félix A. Jalón; Blanca R. Manzano; Felipe Gómez-de la Torre; Ana M. López-Agenjo; Ana M. Rodríguez; Walter Weissensteiner; Thomas Sturm; José Mahía; Miguel Maestro","NMR study on the coordination of dibenzylideneacetone to chiral palladium(0) units. Fluxional behaviour including an intramolecular double bond exchange","J. Chem. Soc., Dalton Trans.","2001","","16","2417","2424","10.1039/b101912k","","","0.71073","MoKα","","0.0923","0.0456","","","0.0736","0.0881","","","","","","1.015","","","","has coordinates","179810","2020-10-21","18:00:00",""
"7010677","10.192","0.002","15.336","0.003","16.322","0.005","90","","90","","90","","2551.2","1.1","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H26 Cl2 Mn N3 O3 -","- C28 H26 Cl2 Mn N3 O3 -","- C112 H104 Cl8 Mn4 N12 O12 -","4","1","","Lewis, Elizabeth A.; Lindsay Smith, John R.; Walton, Paul H.; Archibald, Stephen J.; Foxon, Simon P.; Giblin, Gerard M. P.","Tuning the metal-based redox potentials of manganese cis,cis-1,3,5-triaminocyclohexane complexes","Journal of the Chemical Society, Dalton Transactions","2001","","8","1159","","10.1039/b102103f","","","0.71069","MoKα","","0.0934","0.0371","","","0.0823","0.1022","","","","","","1.03","","","","has coordinates,has disorder","179810","2020-10-21","18:00:00",""
"7010813","22.3778","0.0012","11.1908","0.0006","12.3993","0.0006","90","","90","","90","","3105.1","0.3","163","2","163","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H17 F18 O9 Tb -","- C21 H17 F18 O9 Tb -","- C84 H68 F72 O36 Tb4 -","4","1","","William J. Evans; Dimitrios G. Giarikos; Matthew A. Johnston; Michael A. Greci; Joseph W. Ziller","Reactivity of the europium hexafluoroacetylacetonate (hfac) complex, Eu(hfac)3(diglyme), and related analogs with potassium: formation of the fluoride hfac “ate” complexes, [LnF(hfac)3K(diglyme)]2","J. Chem. Soc., Dalton Trans.","2002","","4","520","526","10.1039/b104095m","","","0.71073","MoKα","","0.024","0.0202","","","0.0482","0.05","","","","","","1.033","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010838","20.158","0.007","9.686","0.004","18.129","0.004","90","","90","","90","","3540","2","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H46 Al2 Li2 N4 O3 -","- C34 H46 Al2 Li2 N4 O3 -","- C136 H184 Al8 Li8 N16 O12 -","4","1","","Armstrong, David R.; Davies, Robert P.; Linton, David J.; Snaith, Ronald; Schooler, Paul; Wheatley, Andrew E. H.","The crystallographic observation of molecular lithium oxide: synthesis and solid-state structure of [Me2AlN(2-C5H4N)Ph]2(O)Li2·2THF†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2838","","10.1039/b104388a","","","0.71069","MoKα","","0.1453","0.07","","","0.1232","0.1513","","","","","","0.978","","","","has coordinates,has disorder","179812","2020-10-21","18:00:00",""
"7010877","32.91","0.007","10.436","0.002","13.554","0.003","90","","90","","90","","4655.1","1.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H42 Cl4 N10 P6 -","- C34 H42 Cl4 N10 P6 -","- C136 H168 Cl16 N40 P24 -","4","1","","Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Thomas A. Mayer; Robert A. Shaw; Gönül Yenilmez","Chiral configurations of spermine-bridged cyclotriphosphazatrienes","J. Chem. Soc., Dalton Trans.","2002","","3","365","370","10.1039/b104973a","","","0.71073","MoKα","","0.1583","0.0512","","","0.0764","0.0983","","","","","","0.931","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010878","28.97","0.006","13.965","0.003","10.247","0.002","90","","90","","90","","4145.6","1.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H42 Cl4 N10 P6 -","- C34 H42 Cl4 N10 P6 -","- C136 H168 Cl16 N40 P24 -","4","1","","Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Thomas A. Mayer; Robert A. Shaw; Gönül Yenilmez","Chiral configurations of spermine-bridged cyclotriphosphazatrienes","J. Chem. Soc., Dalton Trans.","2002","","3","365","370","10.1039/b104973a","","","0.71073","MoKα","","0.0861","0.044","","","0.077","0.0872","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010883","14.618","0.007","18.114","0.009","7.712","0.004","90","","90","","90","","2042.1","1.8","163","2","163","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H33 Br2 Cl Co N5 O2 -","- C12 H33 Br2 Cl Co N5 O2 -","- C48 H132 Br8 Cl4 Co4 N20 O8 -","4","1","","Browne, Julian M. W.; Wikaira, Jan; Hartshorn, Richard M.","Polydentate ligand construction: a re-examination of an intramolecular condensation reactionElectronic supplementary information (ESI) available: crystal data tables. See http://www.rsc.org/suppdata/dt/b1/b104976n/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3513","","10.1039/b104976n","","","0.71073","MoKα","","0.0649","0.0445","","","0.1137","0.1213","","","","","","0.977","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010906","28.509","0.003","14.925","0.001","17.749","0.002","90","","90","","90","","7552.1","1.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C81 H78 N12 O3 Ru3 -","- C81 H78 N12 O3 Ru3 -","- C324 H312 N48 O12 Ru12 -","4","1","","Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","Reactions of Ru(CCPh)(PPh3)2Cp* with tetracyanoethene: cycloaddition, formation of unusual η2-CNR complexes and oligomerisation via bridging cyanocarbon ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3627","","10.1039/b105131h","","","0.71073","MoKα","","0.083","0.045","","0.051","","0.044","","","1.274","","","1.336","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7010919","20.439","0.004","10.413","0.002","12.946","0.003","90","","90","","90","","2755.3","1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H16 N10 Ni S2 -","- C26 H16 N10 Ni S2 -","- C104 H64 N40 Ni4 S8 -","4","1","","Kilkenny, Mairi L.; Nassimbeni, Luigi R.","Tetrakis(3-cyanopyridine)diisothiocyanatonickel(ii) and its clathrates with EtOH and CH2Cl2: structures, thermal stabilities and enthalpies of guest releaseWerner clathrates. Part 15.10 Electronic supplementary information (ESI) available: XRPD traces for 1–3 and for the product obtained on exposure of 1 to CH2Cl2 vapour; graphical representation of the Clausius–Clapeyron equation for the thermal decomposition of 2 and 3; rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/dt/b1/b105299n/","Journal of the Chemical Society, Dalton Transactions","2001","","20","3065","","10.1039/b105299n","","","0.71073","MoKα","","0.0748","0.034","","","0.0789","0.089","","","","","","1.008","","","","has coordinates","179813","2020-10-21","18:00:00",""
"7011032","30.323","0.018","10.923","0.01","6.349","0.003","90","","90","","90","","2103","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H26 Ag N4 O5 S -","- C19 H26 Ag N4 O5 S -","- C76 H104 Ag4 N16 O20 S4 -","4","1","","Shao-Liang Zheng; Ming-Liang Tong; Xiao-Ming Chen; Seik Weng Ng","Self-assembly of new three-dimensional molecular architectures constructed from silver(I)‒hexamethylenetetramine layers with supramolecular interactions","J. Chem. Soc., Dalton Trans.","2002","","3","360","364","10.1039/b106925j","","","0.71073","MoKα","","0.0688","0.0479","","","0.1162","0.1316","","","","","","1.065","","","","has coordinates,has disorder","179814","2020-10-21","18:00:00",""
"7011062","19.64","0.02","18.166","0.005","6.653","0.002","90","","90","","90","","2374","3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H17 Cl F6 N3 Pt Sb -","- C22 H17 Cl F6 N3 Pt Sb -","- C88 H68 Cl4 F24 N12 Pt4 Sb4 -","4","1","","John S. Field; Raymond J. Haines; David R. McMillin; Grant C. Summerton","Tuning solid emission by salts of the [Pt{4'-(o-CH3‒Ph)trpy}Cl]+ and [Pt{4'-(o-CF3‒Ph)trpy}Cl]+ luminophores: crystal structures of [Pt{4'-(o-CH3‒Ph)trpy}Cl]A (A = BF4 or SbF6) and [Pt{4'-(o-CF3‒Ph)trpy}Cl]SbF6 (trpy = 2,2':6',2″-terpyridine)","J. Chem. Soc., Dalton Trans.","2002","","7","1369","1376","10.1039/b107113k","","","0.71069","MoKα","","0.0533","0.0358","","","0.1013","0.1142","","","","","","0.898","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011070","29.4699","0.0002","10.1365","0.0002","33.1137","0.0003","90","","90","","90","","9891.8","0.2","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H66.5 Cl Cu N8.5 O6 -","- C44 H66.5 Cl Cu N8.5 O6 -","- C352 H532 Cl8 Cu8 N68 O48 -","8","2","","Zahida Shirin; Joel Thompson; Louise Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold; A. S. Borovik","C2-Symmetric ligands containing hydrogen bond donors: synthesis and properties of Cu(II) complexes of 2,6-bis[N,N'-(2-carboxamidophenyl)carbamoyl]pyridine","J. Chem. Soc., Dalton Trans.","2002","","8","1714","1720","10.1039/b107166c","","","0.71073","MoKα","","0.0792","0.0548","","","0.1144","0.1261","","","","","","1.303","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011206","29.799","0.013","8.149","0.003","9.379","0.004","90","","90","","90","","2277.5","1.6","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H15 Na O2 -","- C9 H15 Na O2 -","- C72 H120 Na8 O16 -","8","2","","Marcus L. Cole; Cameron Jones; Peter C. Junk","Ether and crown ether adduct complexes of sodium and potassium cyclopentadienide and methylcyclopentadienide—molecular structures of [Na(dme)Cp]∞, [K(dme)0.5Cp]∞, [Na(15-crown-5)Cp], [Na(18-crown-6)CpMe] and the “naked Cp−” complex [K(15-crown-5)2][Cp]","J. Chem. Soc., Dalton Trans.","2002","","6","896","905","10.1039/b109124g","","","0.71073","MoKα","","0.2679","0.0696","","","0.1538","0.2395","","","","","","0.803","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011209","19.623","0.003","9.8461","0.0017","10.8445","0.0018","90","","90","","90","","2095.3","0.6","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H31 Na O6 -","- C18 H31 Na O6 -","- C72 H124 Na4 O24 -","4","1","","Marcus L. Cole; Cameron Jones; Peter C. Junk","Ether and crown ether adduct complexes of sodium and potassium cyclopentadienide and methylcyclopentadienide—molecular structures of [Na(dme)Cp]∞, [K(dme)0.5Cp]∞, [Na(15-crown-5)Cp], [Na(18-crown-6)CpMe] and the “naked Cp−” complex [K(15-crown-5)2][Cp]","J. Chem. Soc., Dalton Trans.","2002","","6","896","905","10.1039/b109124g","","","0.71073","MoKα","","0.1129","0.0862","","","0.2428","0.2734","","","","","","1.068","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7011325","21.5207","0.0011","21.7232","0.0011","20.0882","0.001","90","","90","","90","","9391.2","0.8","163","2","163","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C74 H120 Cl4 Co4 N16 O25 -","- C74 H108 Cl4 Co4 N16 O25 -","- C296 H432 Cl16 Co16 N64 O100 -","4","1","","Yann Dussart; Charlie Harding; Pia Dalgaard; Christine McKenzie; Renuka Kadirvelraj; Vickie McKee; Jane Nelson","Cascade chemistry in azacryptand cages: bridging carbonates and methylcarbonates","J. Chem. Soc., Dalton Trans.","2002","","8","1704","1713","10.1039/b110449g","","","0.71073","MoKα","","0.0986","0.0776","","","0.2035","0.222","","","","","","1.113","","","","has coordinates,has disorder","179817","2020-10-21","18:00:00",""
"7011368","19.4346","0.0008","9.6142","0.0006","12.4346","0.0004","90","","90","","90","","2323.38","0.19","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H26 Cl N2 O P Pd -","- C25 H26 Cl N2 O P Pd -","- C100 H104 Cl4 N8 O4 P4 Pd4 -","4","1","","Ahmad, Mustaffa; Perera, Sarath D.; Shaw, Bernard L.; Thornton-Pett, Mark","Uni-, bi- and ter-dentate complexes formed from PPh2CH2C(R)NNHC(O)Ph (R = But or Ph) and Pd or Pt: crystal structures of [PdCl{PPh2CH2C(But)NNC(Ph)O}], [Pt{PPh2CHC(Ph)NNC(Ph)O}{PPh2CH2C(Ph)NNHC(O)Ph}] and [Pd{PPh2CHC(But)NHNC(O)Ph}2]","Journal of the Chemical Society, Dalton Transactions","2002","","9","1954","","10.1039/b111079a","","","0.71073","MoKα","","0.0161","0.0158","","","0.0421","0.0424","","","","","","1.073","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011413","24.083","0.008","16.552","0.005","9.808","0.003","90","","90","","90","","3910","2","173","2","173","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C41 H33 Ag F3 Fe O3 P S Se2 -","- C41 H33 Ag F3 Fe O3 P S Se2 -","- C164 H132 Ag4 F12 Fe4 O12 P4 S4 Se8 -","4","1","","Canales, Silvia; Crespo, Olga; Fortea, Angela; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio","Gold and silver complexes with the ligands Fc(SPh)2 and Fc(SePh)2 (Fc = (η5-C5H4)2Fe)","Journal of the Chemical Society, Dalton Transactions","2002","","10","2250","","10.1039/b111459j","","","0.71073","MoKα","","0.0765","0.0586","","","0.1363","0.1567","","","","","","1.049","","","","has coordinates","179818","2020-10-21","18:00:00",""
"7011428","24.2245","0.0005","18.3315","0.0001","11.9118","0.0002","90","","90","","90","","5289.69","0.14","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H32 Cu2 Mo8 N8 O26 -","- C40 H32 Cu2 Mo8 N8 O26 -","- C160 H128 Cu8 Mo32 N32 O104 -","4","1","","Yang, Wenbin; Lu, Canzhong; Zhuang, Honghui","Hydrothermal synthesis and structures of three new copper complexes: [{Cu(2,2'-bipy}2(β-Mo8O26)], [{Cu(py)3}2{Cu(py)2}2(α-Mo8O26)] and [Cu(py)2]4[(SO4)Mo12O36]Electronic supplementary information (ESl) available: ESR spectra of 1 and 3, IR spectra of 1‒3. See http://www.rsc.org/suppdata/dt/b1/b111480h/","Journal of the Chemical Society, Dalton Transactions","2002","","14","2879","","10.1039/b111480h","","","0.71073","MoKα","","0.0569","0.0392","","","0.0801","0.0899","","","","","","1.018","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011439","14.131","0.005","9.479","0.003","17.514","0.006","90","","90","","90","","2346","1.4","168","2","168","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H26 Cl4 Co N5 O6 Zn -","- C13 H26 Cl4 Co N5 O6 Zn -","- C52 H104 Cl16 Co4 N20 O24 Zn4 -","4","1","","Browne, Julian M. W.; Wikaira, Jan; Fitchett, Christopher M.; Hartshorn, Richard M.","Polydentate ligand construction: intramolecular condensation reactions in the synthesis of imine-containing ligands","Journal of the Chemical Society, Dalton Transactions","2002","","10","2227","","10.1039/b111556a","","","0.71073","MoKα","","0.0295","0.028","","","0.074","0.0747","","","","","","1.057","","","","has coordinates","179818","2020-10-21","18:00:00",""
"7011472","8.6824","0.0006","25.8218","0.0017","8.2049","0.0005","90","","90","","90","","1839.5","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N2 P -","- C22 H19 N2 P -","- C88 H76 N8 P4 -","4","1","","Matthew L. Clarke; David J. Cole-Hamilton; Douglas F. Foster; Alexandra M. Z. Slawin; J. Derek Woollins","Co-ordination chemistry and metal catalysed carbonylation reactions using 8-(diphenylphosphino)methylaminoquinoline: a ligand that displays monodentate, bidentate and tridentate co-ordination modes","J. Chem. Soc., Dalton Trans.","2002","","8","1618","1624","10.1039/b200401a","","","0.71073","MoKα","","0.0641","0.039","","","0.0807","0.0898","","","","","","0.936","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7011473","21.779","0.002","8.4708","0.0008","16.3038","0.0015","90","","90","","90","","3007.8","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H34 Cl2 N2 P Rh -","- C32 H34 Cl2 N2 P Rh -","- C128 H136 Cl8 N8 P4 Rh4 -","4","1","","Matthew L. Clarke; David J. Cole-Hamilton; Douglas F. Foster; Alexandra M. Z. Slawin; J. Derek Woollins","Co-ordination chemistry and metal catalysed carbonylation reactions using 8-(diphenylphosphino)methylaminoquinoline: a ligand that displays monodentate, bidentate and tridentate co-ordination modes","J. Chem. Soc., Dalton Trans.","2002","","8","1618","1624","10.1039/b200401a","","","0.71073","MoKα","","0.0765","0.0388","","","0.0743","0.0865","","","","","","0.912","","","","has coordinates","179818","2020-10-21","18:00:00",""
"7011507","20.655","0.004","11.025","0.005","31.223","0.004","90","","89","","89","","7108","4","296.2","","296.2","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C28 H42 Cl F6 Ir2 N2 P S3 -","- C28 H40 Cl F6 Ir2 N2 P S3 -","- C224 H320 Cl8 F48 Ir16 N16 P8 S24 -","8","2","","Takagi, Fusao; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Nucleophilic addition and substitution reactions on the sulfur atoms bound to two Ir atoms. Conversion of a hydrosulfido complex [(??5-C5Me5)2Ir2(??-SH)3]Cl into a series of diiridium complexes with bridging thiolato ligands","Journal of the Chemical Society, Dalton Transactions","2002","","18","3603","","10.1039/b200689h","","","0.7107","MoKα","","0.0502","0.0502","","","0.0519","0.0519","","","","","","1.504","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011730","23.8843","0.0007","17.7515","0.0003","9.9253","0.0003","89","","89","","90","","4206.87","0.19","213.2","","","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C40 H34 B Cl2 Co F3 N8 O3 S -","- C40 H32 B Cl2 Co F3 N8 O3 S -","- C160 H128 B4 Cl8 Co4 F12 N32 O12 S4 -","4","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Highly labile cationic tris-acetonitrile complexes, [TpRM(NCMe)3]OTf (M = Ni, Co; TpR: hydrotrispyrazolylborato, R = Ph, Me and iPr2): versatile precursors for TpR-containing nickel and cobalt complexes","Journal of the Chemical Society, Dalton Transactions","2002","","18","3529","","10.1039/b203377c","","","0.7107","MoKα","","","0.0469","","","","0.1369","","","","","","0.931","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011783","16.8801","0.0009","9.2147","0.0003","29.0003","0.0011","90","","90","","90","","4510.9","0.3","183","2","183","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19.5 H25 Cl3 N4 Ti -","- C19.5 H25 Cl3 N4 Ti -","- C156 H200 Cl24 N32 Ti8 -","8","2","","Carmalt, Claire J.; Newport, Anne C.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.","Titanium imido complexes as precursors to titanium nitride","Journal of the Chemical Society, Dalton Transactions","2002","","21","4055","","10.1039/b204027c","","","1.54178","CuKα","","0.0473","0.0374","","0.0867","0.0805","","","","1.041","1.053","1.053","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011853","7.3887","0.0004","11.961","0.0006","18.7679","0.001","90","","90","","90","","1658.64","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H10 Cu N8 O -","- C14 H8 Cu N8 O -","- C56 H32 Cu4 N32 O4 -","4","1","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/","Journal of the Chemical Society, Dalton Transactions","2002","","19","3712","","10.1039/b205007b","","","0.71073","MoKα","","0.0742","0.0458","","","0.1104","0.1217","","","","","","1.051","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011971","9.2106","0.0018","15.578","0.003","13.018","0.003","90","","90","","90","","1867.9","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H17 N3 O4 -","- C21 H17 N3 O4 -","- C84 H68 N12 O16 -","4","1","","Chiari, Brunetto; Cinti, Antonio; Crispu, Ornella; Demartin, Francesco; Pasini, Alessandro; Piovesana, Olivo","New pentanuclear mixed valence Co(ii)???Co(iii) complexes of ???short??? salen homologuesElectronic supplementary information (ESI) available: Table S1 (selected interatomic distances and angles for H2salNO2ben, [Co5(??3-OH)2(salNO2ben)4]I??CH3CO and [Co5(??3-OH)2(salClben)4]I??2DMF??CH2Cl2) and the expression for the magnetic susceptibility. See http://www.rsc.org/suppdata/dt/b2/b206221f/","Journal of the Chemical Society, Dalton Transactions","2002","","24","4672","","10.1039/b206221f","","","0.71073","MoKα","","0.0683","0.0361","","","0.0869","0.0985","","","","","","1.042","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012064","18.7419","0.0006","10.7469","0.0003","14.6045","0.0005","90","","90","","90","","2941.6","0.16","173","2","173","2","","","","","","","synthesized by authors","6","P n a 21","P 2c -2n","33","","","","- C26 H47 As Li2 N2 O3 -","- C26 H47 As Li2 N2 O3 -","- C104 H188 As4 Li8 N8 O12 -","4","1","","Briand, Glen G.; Chivers, Tristram; Parvez, Masood","A novel route to chalcogenides of heavy pnicogens: synthesis and X-ray structure of {(THF)3Li2[PhAs(Se)(NBut)2]}","Journal of the Chemical Society, Dalton Transactions","2002","","20","3785","","10.1039/b207302a","","","0.71073","MoKα","","0.058","0.0409","","","0.0929","0.1035","","","","","","1.067","","","","has coordinates","179824","2020-10-21","18:00:00",""
"7012097","26.142","0.008","10.442","0.003","10.284","0.003","90","","90","","90","","2807.3","1.4","294","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H30 Cl2 Mn N4 O3 -","- C27 H30 Cl2 Mn N4 O3 -","- C108 H120 Cl8 Mn4 N16 O12 -","4","1","","He, Zhicong; Craig, Donald C.; Colbran, Stephen B.","Structures and properties of 6-aryl substituted tris(2-pyridylmethyl)amine transition metal complexes","Journal of the Chemical Society, Dalton Transactions","2002","","22","4224","","10.1039/b207406k","","","0.71073","MoKα","","","0.032","","","","0.038","","","","","","1.22","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012098","26.009","0.015","10.354","0.003","10.268","0.003","90","","90","","90","","2765","2","294","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H30 Cl2 Fe N4 O3 -","- C27 H30 Cl2 Fe N4 O3 -","- C108 H120 Cl8 Fe4 N16 O12 -","4","1","","He, Zhicong; Craig, Donald C.; Colbran, Stephen B.","Structures and properties of 6-aryl substituted tris(2-pyridylmethyl)amine transition metal complexes","Journal of the Chemical Society, Dalton Transactions","2002","","22","4224","","10.1039/b207406k","","","0.71073","MoKα","","","0.035","","","","0.041","","","","","","1.22","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012299","12.4936","0.0004","19.2134","0.0006","9.2046","0.0003","90","","90","","90","","2209.51","0.12","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","compound 2a","","- C16 H24 N O7 Re S4 -","- C16 H24 N O7 Re S4 -","- C64 H96 N4 O28 Re4 S16 -","4","1","","Choudhry, Uzma; Greenland, William E. P.; Goddard, William A.; Maclennan, Tom A. J.; Teat, Simon J.; Blower, Philip J.","New routes to bioconjugates of rhenium using the oxobis(dithiolato)rhenate(v) core","Dalton Transactions","2003","","3","311","","10.1039/b209820b","","","0.69","synchrotron","","0.0243","0.0235","","","0.0573","0.0576","","","","","","1.077","","","","has coordinates","179826","2020-10-21","18:00:00",""
"7012346","30.9119","0.0018","12.321","0.0007","27.4541","0.0016","90","","90","","90","","10456.3","1","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H59 Cl N11 O25.5 Re5 -","- C33 H56 Cl N11 O25.5 Re5 -","- C264 H448 Cl8 N88 O204 Re40 -","8","2","","David Farrell; Karsten Gloe; Kerstin Gloe; Gudrun Goretzki; Vickie McKee; Jane Nelson; Mark Nieuwenhuyzen; Ibolya Pál; Holger Stephan; Raewyn M. Town; Kathrin Wichmann","Towards promising oxoanion extractants: azacages and open-chain counterparts","Dalton Trans.","2003","","10","1961","1968","10.1039/b210289g","","","0.71073","MoKα","","0.0679","0.0586","","","0.1629","0.1695","","","","","","1.093","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7012362","19.2026","0.0015","11.2156","0.001","21.099","0.0015","90","","90","","90","","4544.1","0.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","dichloro(1,4,7,10,13,16-hexaoxacyclooctadecane)scandium(III) tetrachloroiron(III)","","- C12 H24 Cl6 Fe O6 Sc -","- C12 H24 Cl6 Fe O6 Sc -","- C96 H192 Cl48 Fe8 O48 Sc8 -","8","2","","Brown, Michael D.; Levason, William; Murray, David C.; Popham, Michael C.; Reid, Gillian; Webster, Michael","Primary and secondary coordination of crown ethers to scandium(iii). Synthesis, properties and structures of the reaction products of ScCl3(thf)3, ScCl3·6H2O and Sc(NO3)3·5H2O with crown ethers","Dalton Transactions","2003","","5","857","","10.1039/b210458j","","","0.71073","MoKα","","0.065","0.0392","","","0.0716","0.0799","","","","","","0.992","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012374","23.9011","0.0004","15.5577","0.0003","12.6739","0.0002","90","","90","","90","","4712.74","0.14","173","2","173","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","[Mn{N(SiMe3)2}{MesNPPh2CHPPh2NMes}]","","","- C49 H61 Mn N3 P2 Si2 -","- C49 H61 Mn N3 P2 Si2 -","- C196 H244 Mn4 N12 P8 Si8 -","4","1","","Evans, David J.; Hill, Michael S.; Hitchcock, Peter B.","Tuning low-coordinate metal environments: high spin d5‒d7 complexes supported by bis(phosphinimino)methyl ligation","Dalton Transactions","2003","","4","570","","10.1039/b210467a","","x-ray","0.71073","MoKα","","0.0463","0.0354","","","0.0653","0.0691","","","","","","1.016","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012415","11.474","0.001","17.142","0.001","10.771","0.001","90","","90","","90","","2118.5","0.3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H28 Fe I N O S2 -","- C19 H23 Fe I N O S2 -","- C76 H92 Fe4 I4 N4 O4 S8 -","4","1","","Caltagirone, Claudia; Bencini, Andrea; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Mariani, Palma; Papke, Ulrich; Tei, Lorenzo; Verani, Gaetano","Redox chemosensors: coordination chemistry towards CuII, ZnII, CdII, HgII, and PbII of 1-aza-4,10-dithia-7-oxacyclododecane ([12]aneNS2O) and its N-ferrocenylmethyl derivativeElectronic supplementary information (ESI) available: synthetic details including analytical and spectroscopic data for the isolated complexes. Ortep views of the coordination sphere around the metal centres in 1, 2 and 5. See http://www.rsc.org/suppdata/dt/b2/b210806m/","Dalton Transactions","2003","","5","901","","10.1039/b210806m","","","0.71073","MoKα","","0.0389","0.0246","","0.0485","0.047","","","","0.55","0.69","0.69","","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012439","13.669","0.0003","6.407","0.0001","12.505","0.0003","90","","90","","90","","1095.15","0.04","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H9 B Cl3 P -","- C6 H9 B Cl3 P -","- C24 H36 B4 Cl12 P4 -","4","1","","Monkowius, Uwe; Nogai, Stefan; Schmidbaur, Hubert","Trivinylphosphineborane (CH2CH)3PBH3 and related compounds","Dalton Transactions","2003","","5","987","","10.1039/b210991c","","","0.71073","MoKα","","0.0299","0.0283","","","0.0614","0.0626","","","","","","1.077","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012444","15.491","0.002","15.0327","0.0019","16.746","0.002","90","","90","","90","","3899.7","0.8","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H29 Cu2 F12 N11 P2 -","- C30 H29 Cu2 F12 N11 P2 -","- C120 H116 Cu8 F48 N44 P8 -","4","1","","Tuna, Floriana; Hamblin, Jacqueline; Jackson, Alexander; Clarkson, Guy; Alcock, Nathaniel W.; Hannon, Michael J.","Metallo-supramolecular libraries: triangles, polymers and double-helicates assembled by copper(i) coordination to directly linked bis-pyridylimine ligands","Dalton Transactions","2003","","11","2141","","10.1039/b211005a","","","0.71073","MoKα","","0.1901","0.0742","","","0.1044","0.1417","","","","","","1.049","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012482","12.3029","0.0004","9.55","0.0003","11.1065","0.0004","90","","90","","90","","1304.93","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H18 O P Rh -","- C12 H18 O P Rh -","- C48 H72 O4 P4 Rh4 -","4","1","","McConnell, Ann E. C.; Foster, Douglas F.; Pogorzelec, Peter; Slawin, Alexandra M. Z.; Law, David J.; Cole-Hamilton, David J.","Stabilising Rh‒P coordination by phosphanylalkylcyclopentadienyl ligands","Dalton Transactions","2003","","4","510","","10.1039/b211287f","","","0.71073","MoKα","","0.0297","0.0229","","","0.0562","0.0596","","","","","","1.051","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012626","20.38","0.01","8.235","0.004","16.64","0.01","90","","90","","90","","2793","3","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H26 N4 O9 V2 -","- C26 H26 N4 O9 V2 -","- C104 H104 N16 O36 V8 -","4","1","","Tolis, Evangelos J.; Manos, Manolis J.; Terzis, Aris; Raptopoulou, Catherine P.; Kabanos, Themistoklis A.","Mimicking the oxidized glutathione-VIVO2+ speciesAbbreviations used: bipy, 2,2'-bipyridine; phen, 1,10-phenanthroline; H3mpg, N-(2-mercaptopropionyl)glycine; H2mpgS‒S2‒, the oxidized-S,S dimer of H3mpg (see Scheme 1).","Dalton Transactions","2003","","5","775","","10.1039/b212419j","","","0.71073","MoKα","","0.0575","0.0446","","0.1095","0.1","","","","1.215","1.191","1.191","","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012694","12.1373","0.0003","22.1348","0.0005","23.2872","0.0003","90","","90","","90","","6256.3","0.2","173","2","173","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","[Yb{Me3SiNC(C6H4Ph)CHC(C6H4Ph)NSiMe3)}2]]","","","- C66 H74 N4 Si4 Yb -","- C66 H74 N4 Si4 Yb -","- C264 H296 N16 Si16 Yb4 -","4","1","","Avent, Anthony G.; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.","Synthesis and structures of the ytterbium(ii) β-diketiminates [Yb{N(SiMe3)C(R2)C(H)C(R4)N(SiMe3)}2] (R2 = R4 = Ph, C6H4Me-4, or C6H4Ph-4; or R2 = C6H4Me-4, R4 = 1-adamantyl)","Dalton Transactions","2003","","6","1070","","10.1039/b300204g","","x-ray","0.71073","MoKα","","0.0659","0.0413","","","0.0762","0.0846","","","","","","1.019","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012921","24.379","0.004","13.394","0.003","15.094","0.003","90","","90","","90","","4928.7","1.7","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H74 K2 O8 Si4 Zn2 -","- C30 H74 K2 O8 Si4 Zn2 -","- C120 H296 K8 O32 Si16 Zn8 -","4","1","","Merz, Klaus; Block, Stefan; Schoenen, Robert; Driess, Matthias","Facile synthesis and structural variation of novel heterobimetallic alkali metal?zinc-alkoxide and -siloxide clustersElectronic supplementary information (ESI) available: the ESI spectra of the reaction mixtures tBuOLi + ZnMe2, Me3SiOK + ZnMe2 and tBuOK + ZnMe2. See http://www.rsc.org/suppdata/dt/b3/b302585c/","Dalton Transactions","2003","","17","3365","","10.1039/b302585c","","","0.71073","MoKα","","0.0754","0.0446","","","0.0944","0.1095","","","","","","1.049","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012961","15.3529","0.0004","12.6938","0.0003","5.5055","0.0001","90","","90","","90","","1072.95","0.04","120","0.1","120","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H16 S2 Te -","- C8 H16 S2 Te -","- C32 H64 S8 Te4 -","4","1","","Hesford, Matthew J.; Levason, William; Matthews, Melissa L.; Orchard, Simon D.; Reid, Gillian","Synthesis, characterisation and coordinating properties of the small ring S2Te-donor macrocycles [9]aneS2Te, [11]aneS2Te and [12]aneS2Te","Dalton Transactions","2003","","12","2434","","10.1039/b302985a","","","0.71073","MoKα","","0.034","0.034","","0.041","","0.041","","","1.243","","","1.24","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013070","15.923","0.003","21.678","0.004","7.2192","0.0014","90","","90","","90","","2491.9","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","(o-C6F4Hg)3-1,3(CH3)2(C6H4)","","","- C26 H10 F12 Hg3 -","- C26 H10 F12 Hg3 -","- C104 H40 F48 Hg12 -","4","1","","Mason R. Haneline; Julie B. King; François P. Gabbaï","Methyl substituted benzene adducts of trimeric perfluoro-o-phenylene mercury","Dalton Trans.","2003","","13","2686","2690","10.1039/b304023b","","","0.71073","MoKα","","0.023","0.0217","","","0.0498","0.0502","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013071","16.854","0.003","20.891","0.004","7.1384","0.0014","90","","90","","90","","2513.4","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","(o-C6F4Hg)3-1,4(CH3)2(C6H4)","","","- C26 H10 F12 Hg3 -","- C26 H10 F12 Hg3 -","- C104 H40 F48 Hg12 -","4","1","","Mason R. Haneline; Julie B. King; François P. Gabbaï","Methyl substituted benzene adducts of trimeric perfluoro-o-phenylene mercury","Dalton Trans.","2003","","13","2686","2690","10.1039/b304023b","","","0.71073","MoKα","","0.0592","0.0504","","","0.1174","0.125","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013141","17.731","0.001","16.766","0.001","7.62","0.002","90","","90","","90","","2265.3","0.6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","(Co(EtN3OS2ampH))Cl(ClO4)2","","","- C12 H29 Cl3 Co N3 O9 S2 -","- C12 H29 Cl3 Co N3 O9 S2 -","- C48 H116 Cl12 Co4 N12 O36 S8 -","4","1","","Clint A. Sharrad; Stefan R. Lüthi; Lawrence R. Gahan","Embracing ligands. A synthetic strategy towards new nitrogen‒thioether multidentate ligands and characterization of the cobalt(III) complexes","Dalton Trans.","2003","","19","3693","3703","10.1039/b304914k","","","0.71073","MoKα","","0.0588","0.0462","","0.1364","0.1263","","","","","","","1.046","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7013227","31.5748","0.0003","13.0352","0.0001","24.7531","0.0003","90","","90","","90","","10188","0.18","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","dppcbO4","","- C59 H52 O4 P4 -","- C59 H52 O4 P4 -","- C472 H416 O32 P32 -","8","2","","Thomas Stampfl; Rene Gutmann; Georg Czermak; Christoph Langes; Alexander Dumfort; Holger Kopacka; Karl-Hans Ongania; Peter Brüggeller","Regioselective versus complete chalcogen transfer reactions of the bis(bidentate) phosphine cis,trans,cis-1,2,3,4-tetrakis(diphenylphosphino)cyclobutane: full characterization of new, hemilabile ligands and their complexes with palladium(II) and platinum(II)","Dalton Trans.","2003","","17","3425","3435","10.1039/b305775e","","","0.71073","MoKα","","0.0534","0.0396","","","0.0999","0.1162","","","","","","1.03","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013255","20.492","0.012","9.113","0.005","26.214","0.016","90","","90","","90","","4895","5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H54 Al2 Cl N2 P2 Si2 -","- C45 H55 Al2 Cl N2 P2 Si2 -","- C180 H220 Al8 Cl4 N8 P8 Si8 -","4","1","","Wei, Pingrong; Chan, Katie T. K.; Stephan, Douglas W.","Metallated triphenylphosphinimine complexes","Dalton Transactions","2003","","19","3804","","10.1039/b305877h","","","0.71073","MoKα","","0.1045","0.0562","","","0.137","0.159","","","","","","0.818","","","","has coordinates","189244","2020-10-21","18:00:00",""
"7013302","11.8382","0.0013","14.6215","0.0015","6.7329","0.001","90","","90","","90","","1165.4","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H12 Cl2 N Sb -","- C9 H12 Cl2 N Sb -","- C36 H48 Cl8 N4 Sb4 -","4","1","","Opris, Laura M.; Silvestru, Anca; Silvestru, Cristian; Breunig, Hans J.; Lork, Enno","Solid-state structure and solution behaviour of hypervalent organoantimony halides containing 2-(Me2NCH2)C6H4? moieties","Dalton Transactions","2003","","22","4367","","10.1039/b306299f","","","0.71073","MoKα","","0.0396","0.0348","","","0.0929","0.096","","","","","","1.065","","","","has coordinates","179837","2020-10-21","18:00:00",""
"7013400","15.9784","0.0003","15.1177","0.0002","7.4566","0.0001","90","","90","","90","","1801.19","0.05","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 N4 O4 S2 Zn -","- C14 H20 N4 O4 S2 Zn -","- C56 H80 N16 O16 S8 Zn4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Donovan, Adele S.; Harrington, Ross W.; Mahon, Mary F.; Price, Caroline E.","Zinc dicarboxylate polymers and dimers: thiourea substitution as a tool in supramolecular synthesis","Dalton Transactions","2003","","20","3840","","10.1039/b307420j","","","0.7107","MoKα","","0.0225","0.0212","","","0.0552","0.0561","","","","","","0.839","","","","has coordinates","179838","2020-10-21","18:00:00",""
"7013475","16.434","0.009","10.2465","0.0009","16.4336","0.0013","90","","90","","90","","2767.3","1.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H33 Cl2 N5 Ni O10 -","- C20 H33 Cl2 N5 Ni O10 -","- C80 H132 Cl8 N20 Ni4 O40 -","4","1","","Herrera, Aida M.; Kalayda, Ganna V.; Disch, Jeremy S.; Wikstrom, Jeffrey P.; Korendovych, Ivan V.; Staples, Richard J.; Campana, Charles F.; Nazarenko, Alexander Y.; Haas, Terry E.; Rybak-Akimova, Elena V.","Reactions at the azomethine C?N bonds in the nickel(ii) and copper(ii) complexes of pyridine-containing Schiff-base macrocyclic ligandsElectronic supplementary information (ESI) available: Figs. S1?S5: MALDI mass spectra, UV-Vis traces and X-ray structures. See http://www.rsc.org/suppdata/dt/b3/b308557k/","Dalton Transactions","2003","","23","4482","","10.1039/b308557k","","","0.71073","MoKα","","0.1255","0.046","","","0.102","0.1159","","","","","","0.82","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013588","8.9148","0.0018","10.292","0.002","16.755","0.004","90","","90","","90","","1537.3","0.6","125","2","125","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H18 O4 P2 -","- C14 H18 O4 P2 -","- C56 H72 O16 P8 -","4","1","","Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","A structural study of 1,8-bis(dimethyl phosphonito) naphthalene and related crowded chalcogeno derivatives","Dalton Transactions","2003","","20","3876","","10.1039/b310392g","","","0.71073","MoKα","","0.0443","0.0383","","","0.0887","0.0914","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013611","14.206","0.004","22.62","0.005","11.196","0.004","90","","90","","90","","3597.7","1.8","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","nitrosyl-pentadimethylsulfoxide,O-ruthenium(ii) tristriflate","nitrosyl-pentadimethylsulfoxide,O-ruthenium(II) tristriflate","","- C13 H30 F9 N O15 Ru S8 -","- C13 H30 F9 N O15 Ru S8 -","- C52 H120 F36 N4 O60 Ru4 S32 -","4","1","","Zangrando, Ennio; Serli, Barbara; Yellowlees, Lesley; Alessio, Enzo","The first examples of four and five O-bonded dmso ligands on a ruthenium centre","Dalton Transactions","2003","","23","4391","4392","10.1039/b310510e","","","0.71073","Mokα","","0.0904","0.0665","","","0.1709","0.1904","","","","","","1.061","","","","has coordinates,has disorder","179840","2020-10-21","18:00:00",""
"7013658","16.8142","0.001","16.2527","0.001","18.5497","0.0012","90","","90","","90","","5069.2","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H64 Cl O6 P2 Rh -","- C56 H64 Cl O6 P2 Rh -","- C224 H256 Cl4 O24 P8 Rh4 -","4","1","","van der Vlugt, Jarl Ivar; Sablong, Rafael; Mills, Allison M.; Kooijman, Huub; Spek, Anthony L.; Meetsma, Auke; Vogt, Dieter","Coordination chemistry and X-ray studies with novel sterically constrained diphosphonite ligands","Dalton Transactions","2003","","24","4690","","10.1039/b311328k","","","0.71073","MoKα","","0.0521","0.0329","","","0.0573","0.0616","","","","","","1.022","","","","has coordinates,has disorder","179840","2020-10-21","18:00:00",""
"7013730","15.6361","0.0006","9.8378","0.0003","13.0708","0.0005","90","","90","","90","","2010.61","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H21 Co N5 O8 -","- C16 H21 Co N5 O8 -","- C64 H84 Co4 N20 O32 -","4","1","","Kirin, Srecko I.; Happel, Christoph M.; Hrubanova, Silvia; Weyhermuller, Thomas; Klein, Christoph; Metzler-Nolte, Nils","Synthesis, structure and comparison of the DNA cleavage ability of metal complexes M(II)L with the N-(2-ethoxyethanol)-bis(2-picolyl)amine ligand L (M = Co, Ni, Cu and Zn).","Dalton transactions (Cambridge, England : 2003)","2004","","8","1201","1207","10.1039/b313634e","","","0.71073","MoKα","","0.0331","0.0309","","","0.0768","0.0781","","","","","","1.059","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013731","15.5272","0.0006","9.8286","0.0003","13.1569","0.0006","90","","90","","90","","2007.88","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H21 N5 O8 Zn -","- C16 H21 N5 O8 Zn -","- C64 H84 N20 O32 Zn4 -","4","1","","Kirin, Srecko I.; Happel, Christoph M.; Hrubanova, Silvia; Weyhermuller, Thomas; Klein, Christoph; Metzler-Nolte, Nils","Synthesis, structure and comparison of the DNA cleavage ability of metal complexes M(II)L with the N-(2-ethoxyethanol)-bis(2-picolyl)amine ligand L (M = Co, Ni, Cu and Zn).","Dalton transactions (Cambridge, England : 2003)","2004","","8","1201","1207","10.1039/b313634e","","","0.71073","MoKα","","0.0317","0.0297","","","0.0732","0.0745","","","","","","1.03","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013834","8.7419","0.0018","15.71","0.003","13.3","0.0017","90","","90","","90","","1826.6","0.6","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C64 H80 B40 -","4","1","","Lee, Taegweon; Jeon, Joonsang; Song, Kyu Ho; Jung, Il; Baik, Chul; Park, Ki-Min; Lee, Shim Sung; Kang, Sang Ook; Ko, Jaejung","Generation and trapping reaction of an efficient 1,2-dehydrocarborane precursor, phenyl[o-(trimethylsilyl)carboranyl]iodonium acetate.","Dalton transactions (Cambridge, England : 2003)","2004","","6","933","937","10.1039/b315205g","","","0.71073","MoKα","","0.1614","0.0843","","","0.1896","0.2376","","","","","","1.044","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013861","19.14","0.005","11.221","0.003","14.373","0.004","90","","90","","90","","3086.9","1.4","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","4","","","- C17 H24 N2 -","- C17 H24 N2 -","- C136 H192 N16 -","8","2","","Klappa, Jamie J.; Geers, Sarah A.; Schmidtke, Sarah J.; MacManus-Spencer, Laura A; McNeill, Kristopher","Pyridylpyrrolides as alternatives to cyclometalated phenylpyridine ligands: synthesis and characterization of luminescent zinc and boron pyridylpyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","883","891","10.1039/b315523d","","","0.71073","MoKα","","0.0687","0.0611","","","0.1505","0.1556","","","","","","1.035","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013925","21.9952","0.0019","8.0123","0.0007","12.4897","0.0011","90","","90","","90","","2201.1","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H29 B -","- C28 H29 B -","- C112 H116 B4 -","4","1","","Hoefelmeyer, James D.; Solé, Stéphane; Gabbaï, François P","Reactivity of the dimesityl-1,8-naphthalenediylborate anion: isolation of the borataalkene isomer and synthesis of 1,8-diborylnaphthalenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1254","1258","10.1039/b316505a","","","0.71073","MoKα","","0.0877","0.0584","","","0.1353","0.1472","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014158","24.219","0.003","11.5763","0.0011","12.363","0.002","90","","90","","90","","3466.2","0.8","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H36 Cl2 N6 O12 Rh2 -","- C25 H36 Cl2 N6 O12 Rh2 -","- C100 H144 Cl8 N24 O48 Rh8 -","4","1","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.0526","0.038","","","0.0927","0.1048","","","","","","1.093","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014182","17.5198","0.0005","15.3048","0.0003","9.9712","0.0002","90","","90","","90","","2673.65","0.11","173","2","173","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C27 H41 N9 Si -","- C27 H41 N9 Si -","- C108 H164 N36 Si4 -","4","1","","Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","Poly(guanidyl)silanes as a new class of chelating, N-based ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1113","1114","10.1039/b402718c","","x-ray","0.71073","MoKα","","0.0463","0.0375","","","0.0806","0.0847","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014237","16","0.008","13.449","0.007","17.474","0.008","90","","90","","90","","3760","3","453","2","453","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H29 B F15 P -","- C42 H29 B F15 P -","- C168 H116 B4 F60 P4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis of the new, weakly coordinating anions [RB(C6F5)3]- (R = CH2Me, CHMe2, CH2CMe3); utilization of [HNMe2Ph][Me3CCH2B(C6F5)3] to activate zirconocene catalysts for propylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4089","4091","10.1039/b410941d","","","0.71073","MoKα","","0.1796","0.0373","","","0.0365","0.0494","","","","","","0.593","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014281","26.075","0.003","11.363","0.001","8.086","0.0006","90","","90","","90","","2395.8","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H33 F4 I N P2 Rh -","- C18 H33 F4 I N P2 Rh -","- C72 H132 F16 I4 N4 P8 Rh4 -","4","1","","Noveski, Daniel; Braun, Thomas; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg","C-F or C-H bond activation and C-C coupling reactions of fluorinated pyridines at rhodium: synthesis, structure and reactivity of a variety of tetrafluoropyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4106","4119","10.1039/b414734k","","","0.71073","MoKα","","0.0276","0.0201","","","0.031","0.0329","","","","","","1.046","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014578","23.3005","0.0005","12.3608","0.0003","33.9148","0.0007","90","","90","","90","","9767.9","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C62 H54 Ir N4 P2 -","- C62 H54 Ir N4 P2 -","- C496 H432 Ir8 N32 P16 -","8","2","","Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Wang, Kang-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Hung, Wen-Yi; Chiu, Hao-Chih","Heteroleptic Ir(III) complexes containing both azolate chromophoric chelate and diphenylphosphinoaryl cyclometalates; reactivities, electronic properties and applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1132","1143","10.1039/c0dt00966k","","","0.71073","MoKα","","0.0755","0.0522","","","0.126","0.1393","","","","","","1.007","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014628","9.1057","0.0003","13.7198","0.0005","11.2174","0.0005","90","","90","","90","","1401.37","0.09","100","2","100","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C13 H10 Au Cl F3 P -","- C13 H10 Au Cl F3 P -","- C52 H40 Au4 Cl4 F12 P4 -","4","1","","Barnes, Nicholas A.; Brisdon, Alan K.; William Brown, F. R.; Cross, Wendy I.; Crossley, Ian R.; Fish, Cheryl; Herbert, Christopher J.; Pritchard, Robin G.; Warren, John E.","Synthesis of gold(i) fluoroalkyl and fluoroalkenyl-substituted phosphine complexes and factors affecting their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1743","1750","10.1039/c0dt01014f","","x-ray","0.71073","MoKα","","0.0869","0.0631","","","0.1339","0.1507","","","","","","1.15","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014653","28.715","0.005","12.243","0.002","11.097","0.002","90","","90","","90","","3901.2","1.2","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H36 F9 O15 Rh S9 -","- C15 H36 F9 O15 Rh S9 -","- C60 H144 F36 O60 Rh4 S36 -","4","1","","Abbasi, Alireza; Skripkin, Mikhail Yu; Eriksson, Lars; Torapava, Natallia","Ambidentate coordination of dimethyl sulfoxide in rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1111","1118","10.1039/c0dt01026j","","","0.71073","MoKα","","0.1477","0.0483","","","0.0854","0.1014","","","","","","0.754","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014654","28.1746","0.0019","12.1626","0.0008","11.0466","0.0009","90","","90","","90","","3785.4","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H36 F9 O15 Rh S9 -","- C15 H36 F9 O15 Rh S9 -","- C60 H144 F36 O60 Rh4 S36 -","4","1","","Abbasi, Alireza; Skripkin, Mikhail Yu; Eriksson, Lars; Torapava, Natallia","Ambidentate coordination of dimethyl sulfoxide in rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1111","1118","10.1039/c0dt01026j","","","0.71073","MoKα","","0.0762","0.0519","","","0.1117","0.1165","","","","","","0.924","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014655","27.987","0.008","11.065","0.003","10.176","0.002","90","","90","","90","","3151.3","1.4","295","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H30 Cl F6 O11 Rh S7 -","- C12 H30 Cl F6 O11 Rh S7 -","- C48 H120 Cl4 F24 O44 Rh4 S28 -","4","1","","Abbasi, Alireza; Skripkin, Mikhail Yu; Eriksson, Lars; Torapava, Natallia","Ambidentate coordination of dimethyl sulfoxide in rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1111","1118","10.1039/c0dt01026j","","","0.71073","MoKα","","0.1007","0.0409","","","0.075","0.0882","","","","","","0.81","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014845","14.517","0.002","19.882","0.003","21.19","0.003","90","","90","","90","","6116","1.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46 H78 O24 Sm4 -","- C46 H68 O24 Sm4 -","- C184 H272 O96 Sm16 -","4","1","","Wu, Yinglan; Morton, Scott; Kong, Xiangjian; Nichol, Gary S.; Zheng, Zhiping","Hydrolytic synthesis and structural characterization of lanthanide-acetylacetonato/hydroxo cluster complexes‒a systematic study.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1041","1046","10.1039/c0dt01218a","","","0.71073","MoKα","","0.0747","0.06","","","0.1451","0.1507","","","","","","1.054","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7015152","17.7919","0.0007","8.5738","0.0003","12.8045","0.0004","90","","90","","90","","1953.25","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H20 N6 Ni O2 S2 -","- C16 H20 N6 Ni O2 S2 -","- C64 H80 N24 Ni4 O8 S8 -","4","1","","Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu","Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3219","3228","10.1039/c0dt01291b","","","0.71073","MoKα","","0.0167","0.0161","","","0.0388","0.0391","","","","","","1.04","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015253","33.4681","0.0012","13.7678","0.0005","11.1687","0.0007","90","","90","","90","","5146.3","0.4","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C38 H52 Cl2 F12 N12 O3 P2 Ru2 S2 -","- C35.708 H48.316 Cl2 F12 N11.1 O2.877 P2 Ru2 S2 -","- C142.832 H193.264 Cl8 F48 N44.4 O11.508 P8 Ru8 S8 -","4","1","","Roggan, Stefan; Limberg, Christian; Knispel, Christina; Tilley, T. Don","Transition metal complexes of the novel hexadentate ligand 1,4-bis(di(N-methylimidazol-2-yl)methyl)phthalazine.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4315","4323","10.1039/c0dt01406k","","","0.71073","MoKα","","0.0867","0.0754","","","0.1682","0.1761","","","","","","1.153","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015309","23.399","0.003","17.754","0.003","12.3468","0.0018","90","","90","","90","","5129.2","1.3","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H33 Cl3 Cu2 N10 O12 -","- C49 H33 Cl3 Cu2 N10 O12 -","- C196 H132 Cl12 Cu8 N40 O48 -","4","1","","Kang, Ling-Chen; Chen, Xin; Wang, Xi-Sen; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrogencyanamido bridged multinuclear copper(ii) complexes: from strong antiferromagnetic couplings to weak ferromagnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5200","5209","10.1039/c0dt01472a","","","0.71073","MoKα","","0.1665","0.0734","","","0.0981","0.12","","","","","","0.869","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015362","13.458","0.011","15.599","0.014","7.326","0.006","90","","90","","90","","1538","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H18 Al B5 N2 O12 -","- C3 H18 Al B5 N2 O12 -","- C12 H72 Al4 B20 N8 O48 -","4","1","","Cao, Gao-Juan; Lin, Jian; Fang, Wei-Hui; Zheng, Shou-Tian; Yang, Guo-Yu","Open-framework aluminoborates co-templated by two types of primary amines.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2940","2946","10.1039/c0dt01537g","","","0.71073","MoKα","","0.0907","0.069","","","0.1653","0.1811","","","","","","1.088","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015649","9.9377","0.0006","14.8567","0.0009","14.0881","0.0008","90","","90","","90","","2080","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H18 B10 F6 -","- C16 H18 B10 F6 -","- C64 H72 B40 F24 -","4","1","","Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero","Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4200","4211","10.1039/c0dt01798a","","","0.71073","MoKα","","0.044","0.0398","","","0.1035","0.1068","","","","","","1.141","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015774","12.5263","0.0001","12.4818","0.0002","16.4619","0.0004","90","","90","","90","","2573.83","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl8 N8 O P6 -","- C6 H16 Cl8 N8 O P6 -","- C24 H64 Cl32 N32 O4 P24 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Shaw, Robert A.","Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5307","5315","10.1039/c1dt10073d","","","0.71073","MoKα","","0.0412","0.0337","","","0.0565","0.0581","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015908","18.0939","0.0003","13.3115","0.0002","8.5775","0.0002","90","","90","","90","","2065.95","0.07","160","","160","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H22 Er2 N2 O16 -","- C12 H22 Er2 N2 O16 -","- C48 H88 Er8 N8 O64 -","4","1","","Li, Mengyuan; Liu, Bin; Wang, Bingwu; Wang, Zheming; Gao, Song; Kurmoo, Mohamedally","Erbium-formate frameworks templated by diammonium cations: syntheses, structures, structural transition and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6038","6046","10.1039/c1dt10241a","","","0.71073","MoKα","","0.033","0.0242","","","0.0679","0.0764","","","","","","1.113","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015911","18.1266","0.0003","13.3611","0.0002","8.5791","0.0002","90","","90","","90","","2077.78","0.07","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H22 Er2 N2 O16 -","- C12 H22 Er2 N2 O16 -","- C48 H88 Er8 N8 O64 -","4","1","","Li, Mengyuan; Liu, Bin; Wang, Bingwu; Wang, Zheming; Gao, Song; Kurmoo, Mohamedally","Erbium-formate frameworks templated by diammonium cations: syntheses, structures, structural transition and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6038","6046","10.1039/c1dt10241a","","","0.71073","MoKα","","0.0359","0.0243","","","0.0671","0.0777","","","","","","1.122","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015926","10.8684","0.0012","29.905","0.003","9.8368","0.0011","90","","90","","90","","3197.2","0.6","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H32 B10 Fe2 O2 S2 -","- C28 H32 B10 Fe2 O2 S2 -","- C112 H128 B40 Fe8 O8 S8 -","4","1","","Ye, Hongde; Xu, Baohua; Xie, Mingshi; Li, Yizhi; Yan, Hong","Disulfuration and hydrosulfuration of an alkyne at a 1,2-dicarba-closo-dodecaborane-thiolate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6541","6546","10.1039/c1dt10315f","","","0.71073","MoKα","","0.0708","0.0548","","","0.1149","0.1209","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015998","18.76","","13.356","","6.616","","90","","90","","90","","1657.69","","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Mn N5 O2 -","- C20 H14 Mn N5 O2 -","- C80 H56 Mn4 N20 O8 -","4","1","","Bhowmik, Prasanta; Nayek, Hari Pada; Corbella, Montserrat; Aliaga-Alcalde, Núria; Chattopadhyay, Shouvik","Control of molecular architecture by steric factors: mononuclear vs polynuclear manganese(iii) compounds with tetradentate N(2)O(2) donor Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7916","7926","10.1039/c0dt01723j","","","0.71073","MoKα","","0.0801","0.0726","","","0.1904","0.1954","","","","","","0.987","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7016083","23.22","0.003","10.0663","0.0014","10.8634","0.0015","90","","90","","90","","2539.2","0.6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","((Chloro-bis(eta$5!-pentadienyl)-titanium-oxy)-(ferrocenyl)- methylidene)-(pentacarbonyl)-tungsten","((Chloro-bis(η^5^-pentadienyl)-titanium-oxy)-(ferrocenyl)-methylidene)- (pentacarbonyl)-tungsten","","- C26 H19 Cl Fe O6 Ti W -","- C26 H19 Cl Fe O6 Ti W -","- C104 H76 Cl4 Fe4 O24 Ti4 W4 -","4","1","","Bezuidenhout, Daniela I.; Barnard, Werner; van der Westhuizen, Belinda; van der Watt, Elisia; Liles, David C.","Multimetal Fischer carbene complexes of Group VI transition metals: synthesis, structure and substituent effect investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6711","6721","10.1039/c1dt10183h","","","0.71073","MoKα","","0.0667","0.0413","","","0.0885","0.0996","","","","","","1.034","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016163","12.6261","0.0006","9.6201","0.0005","12.6258","0.0004","90","","90","","90","","1533.58","0.12","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H23 B9 Fe -","- C11 H23 B9 Fe -","- C44 H92 B36 Fe4 -","4","1","","Holub, Josef; Stíbr, Bohumil; Bakardjiev, Mario; Růžička, Aleš; Padělková, Zdeňka","Thermal isomerization of η(6)-arene ferradicarbolllides. Experimental proof for isolobal relation between (η(6)-arene)Fe and (η(5)-cyclopentadienyl)Co cluster units.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6623","6625","10.1039/c1dt10367a","","","0.71073","MoKα","","0.0322","0.0271","","","0.0601","0.0637","","","","","","1.119","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016243","22.6994","0.0002","17.4801","0.0001","18.6265","0.0001","90","","90","","90","","7390.77","0.09","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C69 H54 B F24 P2 Rh S -","- C69 H54 B F24 P2 Rh S -","- C276 H216 B4 F96 P8 Rh4 S4 -","4","1","","Dallanegra, Romaeo; Pilgrim, Ben S.; Chaplin, Adrian B.; Donohoe, Timothy J.; Weller, Andrew S.","Dehydrogenation of cyclic thioethers bound to a [Rh(diphosphine)](+) fragment.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6626","6628","10.1039/c1dt10503e","","","0.71073","MoKα","","0.0506","0.0421","","","0.1098","0.116","","","","","","1.037","","","","has coordinates,has disorder","179866","2020-10-21","18:00:00",""
"7016323","17.037","0.0005","7.618","0.002","31.539","0.0014","90","","90","","90","","4093.4","1.1","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H52 As2 Cl2 O8 -","- C40 H47 As2 Cl2 O8 -","- C160 H188 As8 Cl8 O32 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank","OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8922","8934","10.1039/c1dt10234f","","","0.71073","MoKα","","0.089","0.0622","","","0.1245","0.1415","","","","","","1.158","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016340","15.438","0.0011","22.8418","0.0016","8.1278","0.0005","90","","90","","90","","2866.1","0.3","228","2","228","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H37 N P2 -","- C32 H37 N P2 -","- C128 H148 N4 P8 -","4","1","","Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.","Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8950","8958","10.1039/c1dt10265f","","","0.71073","MoKα","","0.0579","0.0373","","","0.098","0.1208","","","","","","1.121","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016409","19.5871","0.001","14.6211","0.0007","10.5024","0.0005","90","","90","","90","","3007.7","0.3","150","","150","2","","","","","","","Synthesized by the authors. See text","5","P n a 21","P 2c -2n","33","","","","- C38 H28 Ni O2 P2 -","- C38 H28 Ni O2 P2 -","- C152 H112 Ni4 O8 P8 -","4","1","","Salah, Abderrahmen B.; Zargarian, Davit","The impact of P-substituents on the structures, spectroscopic properties, and reactivities of POCOP-type pincer complexes of nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8977","8985","10.1039/c1dt10381d","","","0.71073","MoKα","","0.0378","0.0283","","","0.0575","0.06","","","","","","0.955","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016601","23.695","0.009","10.38","0.004","15.684","0.006","90","","90","","90","","3858","3","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C47 H46 N2 S Yb -","- C47 H46 N2 S Yb -","- C188 H184 N8 S4 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Gudilenkov, Ivan D.; Fukin, Georgy K.; Giambastiani, Giuliano; Bianchini, Claudio; Rossin, Andrea; Luconi, Lapo; Filippi, Jonathan; Sorace, Lorenzo","Steric control on the redox chemistry of (η(5)-C(9)H(7))(2)Yb(II)(THF)(2) by 6-aryl substituted iminopyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10568","10575","10.1039/c1dt10135h","","x-ray","0.71069","MoKα","","0.0431","0.0321","","","0.0695","0.0715","","","","","","0.953","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016602","23.6885","0.0007","10.4564","0.0003","15.6524","0.0005","90","","90","","90","","3877","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H46 N2 S Yb -","- C47 H46 N2 S Yb -","- C188 H184 N8 S4 Yb4 -","4","1","","Trifonov, Alexander A.; Shestakov, Boris G.; Gudilenkov, Ivan D.; Fukin, Georgy K.; Giambastiani, Giuliano; Bianchini, Claudio; Rossin, Andrea; Luconi, Lapo; Filippi, Jonathan; Sorace, Lorenzo","Steric control on the redox chemistry of (η(5)-C(9)H(7))(2)Yb(II)(THF)(2) by 6-aryl substituted iminopyridines.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10568","10575","10.1039/c1dt10135h","","","0.71073","MoKα","","0.019","0.0184","","","0.0458","0.0461","","","","","","1.067","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016608","15.3409","0.0006","7.4354","0.0003","16.526","0.0007","90","","90","","90","","1885.05","0.13","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H23 B Fe -","- C24 H23 B Fe -","- C96 H92 B4 Fe4 -","4","1","","Siewert, Inke; Fitzpatrick, Philip; Broomsgrove, Alexander E. J.; Kelly, Michael; Vidovic, Dragoslav; Aldridge, Simon","Probing the influence of steric bulk on anion binding by triarylboranes: comparative studies of FcB(o-Tol)(2), FcB(o-Xyl)(2) and FcBMes(2).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10345","10350","10.1039/c1dt10185d","","","0.71073","MoKα","","0.0488","0.0425","","0.1183","0.113","0.1183","","","","","","0.9742","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016753","9.8636","0.0003","12.9003","0.0004","17.8871","0.0006","90","","90","","90","","2276.02","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","2","","Buchtík, Roman; Trávníček, Zdeněk; Vančo, Ján; Herchel, Radovan; Dvořák, Zdeněk","Synthesis, characterization, DNA interaction and cleavage, and in vitro cytotoxicity of copper(ii) mixed-ligand complexes with 2-phenyl-3-hydroxy-4(1H)-quinolinone.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9404","9412","10.1039/c1dt10674k","","","0.71073","MoKα","","0.031","0.0261","","","0.0601","0.0612","","","","","","0.941","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016794","11.5536","0.0002","18.5617","0.0003","8.6213","0.0002","90","","90","","90","","1848.88","0.06","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H30 N4 Pt -","- C17 H30 N4 Pt -","- C68 H120 N16 Pt4 -","4","1","","Jamali, Sirous; Milić, Dalibor; Kia, Reza; Mazloomi, Zahra; Abdolahi, Hallimeh","Organoplatinum(ii) complexes containing chelating or bridging bis(N-heterocyclic carbene) ligands: formation of a platinum(ii) carbonate complex by aerial CO(2) fixation.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9362","9365","10.1039/c1dt10736d","","","0.71073","MoKα","","0.0309","0.0218","","","0.0419","0.0432","","","","","","1.055","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016814","14.5991","0.0004","6.25969","0.00012","12.054","0.0004","90","","90","","90","","1101.56","0.05","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H2 Ag4 O8 -","- C10 H2 Ag4 O8 -","- C40 H8 Ag16 O32 -","4","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Liang, Ran; Hou, Hong-Wei; Wu, Yang-Jie; Mak, Thomas C. W.","Syntheses, structures and properties of silver-organic frameworks constructed with 1,2,3,4-benzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10071","10081","10.1039/c1dt10830a","","","0.71073","MoKα","","0.0293","0.0272","","","0.0649","0.0655","","","","","","1.081","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016869","23.441","0.001","10.218","0.001","19.401","0.001","90","","90","","90","","4646.9","0.6","150","0.1","150","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C42 H40 Cl8 N2 O2 P2 Pd -","- C42 H40 Cl8 N2 O2 P2 Pd -","- C168 H160 Cl32 N8 O8 P8 Pd4 -","4","1","","Cao, Thi-Phuong-Anh; Labouille, Stéphanie; Auffrant, Audrey; Jean, Yves; Le Goff, Xavier F.; Le Floch, Pascal","Pd(ii) and Ni(ii) complexes featuring a ""phosphasalen"" ligand: synthesis and DFT study.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10029","10037","10.1039/c1dt10906e","","","0.71069","MoKα","","0.0564","0.0432","","","0.1104","0.1165","","","","","","1.092","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016944","26.34","0.008","15.955","0.004","18.695","0.005","90","","90","","90","","7857","4","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","Mo2Br","","","- C88 H88 Br Mo2 N12 O3 -","- C88 H88 Br Mo2 N12 O3 -","- C352 H352 Br4 Mo8 N48 O12 -","4","1","","Tsurugi, Hayato; Yamada, Kohei; Majumdar, Moumita; Sugino, Yoshitaka; Hayakawa, Akio; Mashima, Kazushi","Dinuclear molybdenum cluster-catalyzed radical addition and polymerization reactions by tuning the redox potential of a quadruple bonded Mo(2) core.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9358","9361","10.1039/c1dt11129a","","","0.71075","MoKα","","0.1336","0.0809","","","0.1661","0.2089","","","","","","1.018","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7017106","11.5667","0.0002","12.0145","0.0002","13.089","0.0002","90","","90","","90","","1818.95","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H26 O Ru -","- C21 H26 O Ru -","- C84 H104 O4 Ru4 -","4","1","","Glöckner, Andreas; Arias, Oscar; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Facile η(5)-η(3) hapticity interconversion in pentamethylcyclopentadienyl ruthenium(ii) complexes containing a phenylmethallyl (""open indenyl"") ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11511","11518","10.1039/c1dt11436k","","","1.54184","CuKα","","0.0203","0.0193","","","0.0526","0.0534","","","","","","1.053","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017319","10.715","0.005","19.191","0.008","5.731","0.003","90","","90","","90","","1178.5","1","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 Se -","- C14 H10 N2 Se -","- C56 H40 N8 Se4 -","4","1","","Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.","The intramolecular aryl embrace: from light emission to light absorption.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12584","12594","10.1039/c1dt11052g","","","0.71073","MoKα","","0.0774","0.0458","","0.0805","0.0421","0.042","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017417","20.0442","0.0008","10.0158","0.0004","18.6317","0.0007","90","","90","","90","","3740.5","0.3","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H30 Fe2 N6 O6 Zn3 -","- C36 H30 Fe2 N6 O6 Zn3 -","- C144 H120 Fe8 N24 O24 Zn12 -","4","1","","Bollermann, Timo; Schwedler, Inke; Molon, Mariusz; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Zinc-rich compounds of iron and cobalt: Formation of [Fe(2)Zn(n)] (n = 2-4) and [Co(2)Zn(3)] cores.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12570","12577","10.1039/c1dt11386k","","","0.71073","MoKα","","0.0603","0.0396","","","0.0644","0.071","","","","","","1.051","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017421","15.6099","0.0002","9.6563","0.0001","27.2685","0.0004","90","","90","","90","","4110.29","0.09","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H34 N4 Zn -","- C18 H34 N4 Zn -","- C144 H272 N32 Zn8 -","8","2","","Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11945","11954","10.1039/c1dt11430a","","","0.71073","MoKα","","0.0299","0.0241","","","0.0564","0.0573","","","","","","1.01","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017422","15.435","0.0003","10.3607","0.0002","9.7566","0.0002","90","","90","","90","","1560.25","0.05","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 Zn -","- C14 H24 N4 Zn -","- C56 H96 N16 Zn4 -","4","1","","Garden, Jennifer A.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","Neutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11945","11954","10.1039/c1dt11430a","","","0.71073","MoKα","","0.0264","0.0239","","","0.0569","0.0582","","","","","","1.03","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017442","21.931","0.002","10.4353","0.001","13.727","0.0008","90","","90","","90","","3141.5","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H22 Au I5 P2 Se -","- C25 H22 Au I5 P2 Se -","- C100 H88 Au4 I20 P8 Se4 -","4","1","","Taouss, Christina; Jones, Peter G.","Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11687","11689","10.1039/c1dt11476j","","","0.71073","MoKα","","0.0876","0.0391","","","0.0435","0.049","","","","","","0.575","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017967","17.83","0.04","8.55","0.02","36.69","0.08","90","","90","","90","","5593","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H40 N2 Si Sn -","- C26 H40 N2 Si Sn -","- C208 H320 N16 Si8 Sn8 -","8","2","","Yang, Dongming; Guo, Jianmei; Wu, Haishun; Ding, Yuqiang; Zheng, Wenjun","Synthesis and structural characterization of two-coordinate low-valent 14-group metal complexes bearing bulky bis(amido)silane ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2187","2194","10.1039/c1dt11774b","","","0.71073","MoKα","","0.1125","0.0762","","","0.188","0.205","","","","","","1.045","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017972","20.386","0.003","21.293","0.003","9.1912","0.0011","90","","90","","90","","3989.7","0.9","186","2","186","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C49 H39 Cu N2 P2 -","- C49 H39 Cu N2 P2 -","- C196 H156 Cu4 N8 P8 -","4","1","","Liu, Xiaohui; Sun, Wei; Zou, Luyi; Xie, Zhiyuan; Li, Xiao; Lu, Canzhong; Wang, Lixiang; Cheng, Yanxiang","Neutral cuprous complexes as ratiometric oxygen gas sensors.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1312","1319","10.1039/c1dt11777g","","","0.71073","MoKα","","0.1003","0.0581","","","0.0896","0.103","","","","","","1.006","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7018082","28.0165","0.0004","15.8661","0.0002","8.9726","0.0001","90","","90","","90","","3988.43","0.09","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","[Cp*Ti{MeC(NiPr)2}{N(H)(NMe2)}][BPh4]","","- C44 H59 B N4 Ti -","- C44 H59 B N4 Ti -","- C176 H236 B4 N16 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip","Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2277","2288","10.1039/c2dt12359b","","","0.71073","MoKα","","0.0705","0.0562","","0.0695","0.0601","0.0576","","","","","","1.1289","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018143","17.2485","0.0002","12.9889","0.0002","32.399","0.0004","90","","90","","90","","7258.64","0.17","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C77 H75 Ir2 N11 O16 Zn -","- C77 H75 Ir2 N11 O16 Zn -","- C308 H300 Ir8 N44 O64 Zn4 -","4","1","","Ho, Mei-Lin; Chen, Yi-An; Chen, Tsai-Chen; Chang, Pei-Jen; Yu, Yi-Ping; Cheng, Kum-Yi; Shih, Chien-Hung; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","Synthesis, structure and oxygen-sensing properties of Iridium(iii)-containing coordination polymers with different cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2592","2600","10.1039/c2dt11473a","","","0.71073","MoKα","","0.0634","0.0432","","","0.1038","0.1139","","","","","","1.062","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018250","14.669","0.005","16.306","0.005","7.034","0.002","90","","90","","90","","1682.5","0.9","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H19 N2 Ni O12 -","- C10 H13 N2 Ni O12 -","- C40 H52 N8 Ni4 O48 -","4","1","","Crouse, Heather F.; Potoma, Julianne; Nejrabi, Farhat; Snyder, Deanna L.; Chohan, Balwant S.; Basu, Swarna","Quenching of tryptophan fluorescence in various proteins by a series of small nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2720","2731","10.1039/c2dt12169g","","","0.71073","MoKα","","0.0409","0.0368","","","0.0941","0.0959","","","","","","1.064","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018451","21.373","0.002","8.9593","0.0009","25.33","0.003","90","","90","","90","","4850.4","0.9","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","x","","","- C49 H52 B Cl6 P Pt S -","- C49 H52 B Cl6 P Pt S -","- C196 H208 B4 Cl24 P4 Pt4 S4 -","4","1","","Emslie, David J. H.; Cowie, Bradley E.; Oakley, Simon R.; Huk, Natalie L.; Jenkins, Hilary A.; Harrington, Laura E.; Britten, James F.","A study of M-X-BR(3) (M = Pt, Pd or Rh; X = Cl or I) interactions in square planar ambiphilic ligand complexes: structural, spectroscopic, electrochemical and computational comparisons with borane-free analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3523","3535","10.1039/c2dt11991a","","","0.71073","MoKα","","0.0716","0.0451","","","0.0927","0.1048","","","","","","1.011","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7018453","21.3801","0.0014","8.9678","0.0006","25.2512","0.0017","90","","90","","90","","4841.5","0.6","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","(PdCl2(TXPB))","","","- C49 H52 B Cl6 P Pd S -","- C49 H52 B Cl6 P Pd S -","- C196 H208 B4 Cl24 P4 Pd4 S4 -","4","1","","Emslie, David J. H.; Cowie, Bradley E.; Oakley, Simon R.; Huk, Natalie L.; Jenkins, Hilary A.; Harrington, Laura E.; Britten, James F.","A study of M-X-BR(3) (M = Pt, Pd or Rh; X = Cl or I) interactions in square planar ambiphilic ligand complexes: structural, spectroscopic, electrochemical and computational comparisons with borane-free analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3523","3535","10.1039/c2dt11991a","","","0.71073","MoKα","","0.0514","0.0421","","","0.1048","0.1118","","","","","","1.031","","","","has coordinates,has disorder","179888","2020-10-21","18:00:00",""
"7018455","22.18","0.02","9.043","0.008","24.75","0.02","90","","90","","90","","4964","7","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C48.31 H50.62 B Cl2.62 I2 P Pt S -","- C48.302 H50.604 B Cl2.604 I2 P Pt S -","- C193.208 H202.416 B4 Cl10.416 I8 P4 Pt4 S4 -","4","1","","Emslie, David J. H.; Cowie, Bradley E.; Oakley, Simon R.; Huk, Natalie L.; Jenkins, Hilary A.; Harrington, Laura E.; Britten, James F.","A study of M-X-BR(3) (M = Pt, Pd or Rh; X = Cl or I) interactions in square planar ambiphilic ligand complexes: structural, spectroscopic, electrochemical and computational comparisons with borane-free analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3523","3535","10.1039/c2dt11991a","","","0.71073","MoKα","","0.1661","0.0652","","","0.1222","0.1573","","","","","","1.021","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018546","12.8971","0.0017","16.631","0.002","10.9986","0.0016","90","","90","","90","","2359.1","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H24 Cl Ir N4 O4 -","- C24 H24 Cl Ir N4 O4 -","- C96 H96 Cl4 Ir4 N16 O16 -","4","1","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.0518","0.0256","","","0.0509","0.0589","","","","","","0.894","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018822","19.9841","0.0004","10.5322","0.001","20.1641","0.001","90","","90","","90","","4244.1","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H68 N12 O Zn5 -","- C36 H68 N12 O Zn5 -","- C144 H272 N48 O4 Zn20 -","4","1","","Zelga, Karolina; Leszczyński, Michał; Justyniak, Iwona; Kornowicz, Arkadiusz; Cabaj, Maciej; Wheatley, Andrew E. H.; Lewiński, Janusz","Synthesis, structure and unique reactivity of the ethylzinc derivative of a bicyclic guanidine","Dalton Transactions","2012","41","19","5934","","10.1039/c2dt11959e","","","0.71073","MoKα","","0.0805","0.0643","","","0.1488","0.1824","","","","","","1.105","","","","has coordinates,has disorder","179892","2020-10-21","18:00:00",""
"7018837","24.9994","0.0005","9.0537","0.0001","18.8146","0.0003","90","","90","","90","","4258.44","0.12","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[Tris(N-(2-aminoethyl)aziridine-N,N)copper(II)]dichloride","","- C16 H36 Cl2 Cu N4 -","- C16 H36 Cl2 Cu N4 -","- C128 H288 Cl16 Cu8 N32 -","8","2","","Budzisz, E.; Bobka, R.; Hauss, A.; Roedel, J. N.; Wirth, S.; Lorenz, I.-P.; Rozalska, B.; Więckowska-Szakiel, M.; Krajewska, U.; Rozalski, M.","Synthesis, structural characterization, antimicrobial and cytotoxic effects of aziridine, 2-aminoethylaziridine and azirine complexes of copper(ii) and palladium(ii)","Dalton Transactions","2012","41","19","5925","","10.1039/c2dt12107g","","x-ray","0.71073","MoKα","","0.0692","0.0465","","","0.1204","0.1352","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018955","14.029","0.003","21.253","0.005","43.06","0.01","90","","90","","90","","12839","5","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","mercuryarenide","","","- C72 H144 As14 Hg2 K4 N8 O24 -","- C72 H144 As14 Hg2 K4 N8 O24 -","- C288 H576 As56 Hg8 K16 N32 O96 -","4","1","","Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman","On the stability of an unsupported mercury-mercury bond linking group 15 Zintl clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5454","5457","10.1039/c2dt30083d","","","0.71073","MoKα","","0.1198","0.0642","","","0.1168","0.1327","","","","","","0.887","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7019017","13.984","0.003","34.339","0.007","10.048","0.002","90","","90","","90","","4825","1.7","153","2","153","2","","","","","","","","8","P n a 21","P 2c -2n","33","Tetrakis(4-(trimethylammonio)benzenethiolate)-cadmium(ii) dihexafluorophosphate hydrate","Tetrakis(4-(trimethylammonio)benzenethiolate)-cadmium(II) dihexafluorophosphate hydrate","","- C36 H54 Cd F12 N4 O P2 S4 -","- C36 H54 Cd F12 N4 O P2 S4 -","- C144 H216 Cd4 F48 N16 O4 P8 S16 -","4","1","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.062","0.0573","","","0.1278","0.1304","","","","","","1.112","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019020","13.866","0.003","35.254","0.003","10.231","0.002","90","","90","","90","","5001.2","1.5","193","2","193","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C36 H54 F12 N4 O P2 S4 Zn -","- C36 H54 F12 N4 O P2 S4 Zn -","- C144 H216 F48 N16 O4 P8 S16 Zn4 -","4","1","","Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2012","41","20","6162","6172","10.1039/c2dt30313b","","","0.71073","MoKα","","0.0589","0.0489","","","0.1086","0.1112","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7019046","16.9395","0.0003","16.191","0.0003","26.7675","0.0005","90","","90","","90","","7341.5","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C75.2 H105.8 Cl2 Cu2 N12.6 O -","- C75.2 H105.8 Cl2 Cu2 N12.6 O -","- C300.8 H423.2 Cl8 Cu8 N50.4 O4 -","4","1","","Hart, John S.; Nichol, Gary S.; Love, Jason B.","Directed secondary interactions in transition metal complexes of tripodal pyrrole imine and amide ligands","Dalton Transactions","2012","41","19","5785","","10.1039/c2dt30539a","","","1.5418","CuKα","","0.0483","0.046","","","0.125","0.1268","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019053","14.908","0.0005","10.4189","0.0004","14.3622","0.0006","90","","90","","90","","2230.81","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H29 Fe K O8 -","- C19 H29 Fe K O8 -","- C76 H116 Fe4 K4 O32 -","4","1","","Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","The inverse sandwich complex [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] - unpredictable redox reactions of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) and the isoelectronic phosphanyl borohydride K[PtBu(2)BH(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6671","6676","10.1039/c2dt00031h","","","0.71073","MoKα","","0.0311","0.0267","","","0.0554","0.0565","","","","","","0.972","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019157","23.205","0.006","10.981","0.002","8.9992","0.0019","90","","90","","90","","2293.1","0.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H39 Cl2 N3 P2 Pd -","- C16 H39 Cl2 N3 P2 Pd -","- C64 H156 Cl8 N12 P8 Pd4 -","4","1","","Sgro, Michael J.; Stephan, Douglas W.","Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6791","6802","10.1039/c2dt30373f","","","0.71073","MoKα","","0.0745","0.0464","","","0.0908","0.1001","","","","","","1.047","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019274","13.9561","0.0009","15.2417","0.001","9.2732","0.0005","90","","90","","90","","1972.5","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H32 Cl Co N7 O4 -","- C14 H32 Cl Co N7 O4 -","- C56 H128 Cl4 Co4 N28 O16 -","4","1","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.0244","0.0214","","","0.0495","0.0506","","","","","","1.034","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019308","20.871","0.004","13.861","0.003","22.172","0.004","90","","90","","90","","6414","2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H25 Cl N3 P -","- C33 H25 Cl N3 P -","- C264 H200 Cl8 N24 P8 -","8","2","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.089","0.0654","","","0.1653","0.1761","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019395","14.986","0.004","14.019","0.004","9.855","0.003","90","","90","","90","","2070.4","1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H32 Co O4 P -","- C19 H32 Co O4 P -","- C76 H128 Co4 O16 P4 -","4","1","","Hung-Low, Fernando; Tye, Jesse W.; Cheng, Shannon; Bradley, Christopher A.","sp(2) C-H activation of dimethyl fumarate by a [(Cp*Co)(2)-μ-(η(4) : η(4)-toluene)] complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8190","8197","10.1039/c2dt30288h","","","0.71073","MoKα","","0.0379","0.0296","","","0.0563","0.0597","","","","","","1.029","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019416","11.42","0.007","31.938","0.001","5.837","0.002","90","","90","","90","","2128.9","1.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H24 N O4 Ru S -","- C22 H24 N O4 Ru S -","- C88 H96 N4 O16 Ru4 S4 -","4","1","","Chatterjee, Sudipta; Mandal, Sutanuva; Samanta, Subhas; Goswami, Sreebrata","Bis(acetonitrile)bis(acetylacetonato)ruthenium(iii) mediated chemical transformations of coordinated 2-methylthioanilide.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","7057","7066","10.1039/c2dt30344b","","","0.71073","MoKα","","0.0685","0.044","","","0.0609","0.0699","","","","","","1.026","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019648","20.6031","0.0004","11.4977","0.0003","14.2483","0.0003","90","","90","","90","","3375.26","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H57 Fe N3 Si2 -","- C30 H57 Fe N3 Si2 -","- C120 H228 Fe4 N12 Si8 -","4","1","","Walter, Marc D.; White, Peter S.","[{Cp'Fe(μ-OH)}(3)]: the synthesis of a unique organometallic iron hydroxide.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8506","8508","10.1039/c2dt31103h","","","0.71073","MoKα","","0.0583","0.0376","","","0.0585","0.0624","","","","","","0.862","","","","has coordinates,has disorder","288643","2024-01-03","14:02:40",""
"7019672","22.325","0.004","20.827","0.004","13.671","0.003","90","","90","","90","","6357","2","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H79 N8 Ni6 O56 P W9 -","- C18 H53 N8 Ni6 O43 P W9 -","- C72 H212 N32 Ni24 O172 P4 W36 -","4","1","","Zheng, Yun-Yun; Wen, Ru; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Assembly of an undeca-nuclear nickel substituted POM through polycarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9871","9875","10.1039/c2dt12507b","","","0.71073","MoKα","","0.0629","0.0596","","","0.1486","0.1519","","","","","","1.027","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019704","7.266","0.002","20.145","0.006","9.725","0.003","90","","90","","90","","1423.5","0.7","100","","100","","","","","","","","hexane,dichloromethane","3","P n a 21","P 2c -2n","33","","1,1-di(trifluoromethyl)-2-(9H-fluoren-9-ylidene)-ethene","","- C17 H8 F6 -","- C17 H8 F6 -","- C68 H32 F24 -","4","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","Mo-Kα","","0.0719","0.0643","","","0.1737","0.1819","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019719","22.532","0.005","14.975","0.003","22.623","0.005","90","","90","","90","","7633","3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C92 H90 Ga N4 Na -","- C92 H90 Ga N4 Na -","- C368 H360 Ga4 N16 Na4 -","4","1","","Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron","Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9304","9315","10.1039/c2dt30299c","","","0.71073","MoKα","","0.1156","0.0862","","","0.2277","0.2483","","","","","","1.059","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019794","21.899","0.005","20.306","0.005","22.9","0.005","90","","90","","90","","10183","4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C64 H120 Mo12 N3 O48.5 P Zn4 -","- C48 H60 Mo12 N2 O48.5 P Zn4 -","- C192 H240 Mo48 N8 O194 P4 Zn16 -","4","1","","Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne","ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9989","9999","10.1039/c2dt30537b","","","0.71073","MoKα","","0.0763","0.0578","","","0.1771","0.2293","","","","","","0.904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019820","9.855","0.006","8.082","0.004","6.059","0.004","90","","90","","90","","482.6","0.5","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","2-amino-5-nitrotetrazole","2-amino-5-nitrotetrazole","","- C H2 N6 O2 -","- C H2 N6 O2 -","- C4 H8 N24 O8 -","4","1","","Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg","Amination of energetic anions: high-performing energetic materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9451","9459","10.1039/c2dt30684k","","","0.71073","MoKα","","0.0699","0.0447","","","0.0861","0.0984","","","","","","1.002","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019843","32.2085","0.0004","12.2682","0.0001","9.683","0.0001","90","","90","","90","","3826.14","0.07","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H36 Cl F2 Ir N P2 -","- C47 H36 Cl F2 Ir N P2 -","- C188 H144 Cl4 F8 Ir4 N4 P8 -","4","1","","Alam, Parvej; Karanam, Maheswararao; Roy Choudhury, Angshuman; Rahaman Laskar, Inamur","One-pot synthesis of strong solid state emitting mono-cyclometalated iridium(iii) complexes: study of their aggregation induced enhanced phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9276","9279","10.1039/c2dt30771e","","","0.71073","MoKα","","0.0233","0.0223","","","0.0617","0.0622","","","","","","1.062","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019939","14.42","0.003","23.52","0.005","14.26","0.003","90","","90","","90","","4836.4","1.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H43 F18 N6 O3 P3 Re -","- C31 H43 F18 N6 O3 P3 Re -","- C124 H172 F72 N24 O12 P12 Re4 -","4","1","","Li, Mei-Jin; Liu, Xing; Shi, Yun-Qin; Xie, Rui-Jia; Wei, Qiao-Hua; Chen, Guo-Nan","Synthesis, structure, photophysics and electrochemiluminescence of Re(i) tricarbonyl complexes with cationic 2,2-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10612","10618","10.1039/c2dt30074e","","","0.75","synchrotron","","0.0749","0.0689","","","0.1865","0.1934","","","","","","1.058","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7020079","15.2177","0.0007","12.1849","0.0006","7.948","0.0004","90","","90","","90","","1473.77","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H21 B10 Co -","- C9 H21 B10 Co -","- C36 H84 B40 Co4 -","4","1","","McAnaw, Amelia; Elena Lopez, Maria; Scott, Greig; Ellis, David; McKay, David; Rosair, Georgina M.; Welch, Alan J.","Untethered 4,1,2-MC(2)B(10) supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC(2)B(10) analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C(2)B(11) carboranes and MC(2)B(10) metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10957","10969","10.1039/c2dt31283b","","","0.71073","MoKα","","0.0752","0.0463","","","0.1053","0.1208","","","","","","1.033","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020202","10.038","0.002","14.622","0.002","9.576","0.001","90","","90","","90","","1405.5","0.4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrachloro-(1,2-bis(methylsulfanyl)benzene)tellurium(IV)","","- C8 H10 Cl4 S2 Te -","- C8 H10 Cl4 S2 Te -","- C32 H40 Cl16 S8 Te4 -","4","1","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0218","0.0201","","","0.0385","0.0391","","","","","","1.066","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020357","8.5909","0.0012","26.375","0.003","7.2737","0.001","90","","90","","90","","1648.1","0.4","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H26 Cl2 N2 O2 Ti -","- C12 H26 Cl2 N2 O2 Ti -","- C48 H104 Cl8 N8 O8 Ti4 -","4","1","","Kim, So Han; Kim, Da Jung; Go, Min Jeong; Ko, Young Soo; Lee, Junseong; Kim, Youngjo","Synthesis, X-ray structures, and controlled ring opening polymerization behavior of L-lactide using titanium complexes chelated by tetradentate diamine-diethanolate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11619","11626","10.1039/c2dt31357j","","","0.71073","MoKα","","0.1333","0.0649","","","0.1188","0.1474","","","","","","1.015","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020515","14.7244","0.0003","10.5735","0.0002","26.3663","0.0005","90","","90","","90","","4104.93","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H28 P2 Si Zr -","- C17 H28 P2 Si Zr -","- C136 H224 P16 Si8 Zr8 -","8","2","","Mansell, Stephen M.; Green, Michael; Russell, Christopher A.","Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14360","14368","10.1039/c2dt31756g","","","0.71073","MoKα","","0.0476","0.0372","","","0.0881","0.0962","","","","","","0.88","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020537","34.2134","0.001","13.3036","0.0004","19.7816","0.0005","90","","90","","90","","9003.8","0.4","115","","115","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H79 Cu N5 O5 -","- C43 H79 Cu N5 O5 -","- C344 H632 Cu8 N40 O40 -","8","2","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Rüffer, Tobias","An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [(n)Bu(4)N](2)[Cu(opooMe)] and novel asymmetric trinuclear [Cu(3)(opooMe)(pmdta)(2)](NO(3))(2)·3MeCN.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14657","14670","10.1039/c2dt31802d","","","1.54184","CuKα","","0.0634","0.0549","","","0.1411","0.1452","","","","","","0.98","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020693","15.4451","0.0003","13.4503","0.0003","9.54082","0.00018","90","","90","","90","","1982.02","0.07","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H16 Br2 Co N4 O -","- C21 H16 Br2 Co N4 O -","- C84 H64 Br8 Co4 N16 O4 -","4","1","","Guttentag, Miguel; Rodenberg, Alexander; Bachmann, Cyril; Senn, Anna; Hamm, Peter; Alberto, Roger","A highly stable polypyridyl-based cobalt catalyst for homo- and heterogeneous photocatalytic water reduction.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","334","337","10.1039/c2dt31699d","","","0.71073","MoKα","","0.0442","0.029","","","0.0434","0.0447","","","","","","0.858","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7021038","28.069","0.003","8.661","0.0012","20.823","0.0011","90","","90","","90","","5062.2","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H32 Cl3 N O2 Ti -","- C24 H32 Cl3 N O2 Ti -","- C192 H256 Cl24 N8 O16 Ti8 -","8","2","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.71085","Synchrotron","","0.0993","0.0957","","","0.2496","0.2533","","","","","","1.079","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021039","25.105","0.003","10.628","0.0012","9.748","0.0015","90","","90","","90","","2600.9","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H34 Cl3 N O2 Ti -","- C25 H34 Cl3 N O2 Ti -","- C100 H136 Cl12 N4 O8 Ti4 -","4","1","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.71073","Synchrotron","","0.0405","0.0372","","","0.0942","0.0961","","","","","","1.07","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021125","25.0834","0.0006","10.1732","0.0003","13.7406","0.0003","90","","90","","90","","3506.3","0.15","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H25 Cl2 I N2 -","- C12 H25 Cl2 I N2 -","- C96 H200 Cl16 I8 N16 -","8","2","","Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.","N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7318","7329","10.1039/c2dt32823b","","","0.71073","MoKα","","0.1184","0.0731","","","0.1873","0.2361","","","","","","1.058","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021182","24.044","0.001","22.337","0.001","10.3136","0.0004","90","","90","","90","","5539.1","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H38 F19 Mg3 N5 O15 -","- C40 H33 F19 Mg3 N5 O15 -","- C160 H132 F76 Mg12 N20 O60 -","4","1","","Noack, Johannes; Fritz, Carsten; Flügel, Clemens; Hemmann, Felix; Gläsel, Hans-Jürgen; Kahle, Olaf; Dreyer, Christian; Bauer, Monika; Kemnitz, Erhard","Metal fluoride-based transparent nanocomposites with low refractive indices.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5706","5710","10.1039/c3dt32652g","","","0.71073","MoKα","","0.1542","0.1354","","","0.3331","0.3443","","","","","","1.041","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021225","12.415","0.0009","9.508","0.002","14.053","0.0017","90","","90","","90","","1658.8","0.4","198","","198","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H14 Br2 N4 Pd -","- C14 H14 Br2 N4 Pd -","- C56 H56 Br8 N16 Pd4 -","4","1","","Munz, Dominik; Poethig, Alexander; Tronnier, Alexander; Strassner, Thomas","ortho-Phenylene bridged palladium bis-N-heterocyclic carbene complexes: synthesis, structure and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7297","7304","10.1039/c3dt33006k","","x-ray","0.71073","MoKα","","0.027","0.0205","","","0.036","0.0375","","","","","","1.06","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021366","13.21","0.02","28.04","0.04","7.569","0.012","90","","90","","90","","2804","7","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H30 B20 Mn O6 -","- C8 H28 B20 Mn O6 -","- C32 H112 B80 Mn4 O24 -","4","1","","Fontanet, Mònica; Rodríguez, Montserrat; Romero, Isabel; Fontrodona, Xavier; Teixidor, Francesc; Viñas, Clara; Aliaga-Alcalde, Núria; Matějíček, Pavel","A water soluble Mn(ii) polymer with aqua metal bridges.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7838","7841","10.1039/c3dt00097d","","","0.71073","MoKα","","0.2081","0.0786","","","0.1969","0.2613","","","","","","1.022","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021448","18.3527","0.0008","15.264","0.0008","10.4474","0.0004","90","","90","","90","","2926.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","18-Crown-6-potassium triphenyl-silicon","","","- C30 H39 K O6 Si -","- C30 H39 K O6 Si -","- C120 H156 K4 O24 Si4 -","4","1","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","0.71073","MoKα","","0.0695","0.0573","","","0.1109","0.115","","","","","","1.313","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021484","18.811","0.004","17.312","0.004","10.749","0.002","90","","90","","90","","3500.5","1.3","223","2","223","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C24 H44 B Cl2 Cu I Mo N7 O S2 -","- C24 H44 B Cl2 Cu I Mo N7 O S2 -","- C96 H176 B4 Cl8 Cu4 I4 Mo4 N28 O4 S8 -","4","1","","Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9495","9504","10.1039/c3dt50759a","","","0.71073","MoKα","","0.0657","0.0487","","","0.0894","0.1","","","","","","1.055","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021509","22.0065","0.0012","13.1308","0.0009","27.0131","0.0019","90","","90","","90","","7805.8","0.9","180","2","180","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C64 H26 Cu5 F54 N13 O -","- C64 H26 Cu5 F54 N13 O -","- C256 H104 Cu20 F216 N52 O4 -","4","1","","Kleinwächter, Michael; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Tuning stoichiometry and supramolecular assembly in perfluorinated indazolato coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10102","10105","10.1039/c3dt50793a","","","0.71073","MoKα","","0.0723","0.0479","","","0.1226","0.139","","","","","","1.017","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021510","23.705","0.005","8.276","0.005","20.188","0.005","90","","90","","90","","3961","3","100","2","100","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C8 H12 B Cu F4 N4 -","- C8 H12 B Cu F4 N4 -","- C96 H144 B12 Cu12 F48 N48 -","12","3","","Kleinwächter, Michael; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Tuning stoichiometry and supramolecular assembly in perfluorinated indazolato coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10102","10105","10.1039/c3dt50793a","","","0.71073","MoKα","","0.0293","0.0238","","","0.056","0.0575","","","","","","1.029","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021540","20.5263","0.0019","15.856","0.0015","4.5578","0.0004","90","","90","","90","","1483.4","0.2","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 Bi Cl O -","- C18 H14 Bi Cl O -","- C72 H56 Bi4 Cl4 O4 -","4","1","","Tan, Nianyuan; Chen, Yi; Yin, Shuang-Feng; Qiu, Renhua; Zhou, Yongbo; Au, C. T.","Synthesis and structures of hypervalent organoantimony and organobismuth chlorides containing asymmetric C,E,C-chelating (E = O, S) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9476","9481","10.1039/c3dt50922b","","","0.71073","MoKα","","0.019","0.0154","","","0.0354","0.0365","","","","","","0.965","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021544","15.5796","0.0004","9.4484","0.0002","19.0086","0.0004","90","","90","","90","","2798.11","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H21 Mo N O4 P2 -","- C30 H21 Mo N O4 P2 -","- C120 H84 Mo4 N4 O16 P8 -","4","1","","Niaz, Basit; Ghalib, Mohammed; Jones, Peter G.; Heinicke, Joachim W.","π-Excess σ(2)P ligands: synthesis of biaryl-type 1,3-benzazaphosphole hybrid ligands and formation of P^P'-M(CO)4 chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9523","9532","10.1039/c3dt50981h","","","0.71073","MoKα","","0.029","0.0242","","","0.0497","0.0521","","","","","","1.085","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021548","31.951","0.003","10.1535","0.0008","10.6068","0.0008","90","","90","","90","","3441","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H30 B10 Ir N3 -","- C29 H30 B10 Ir N3 -","- C116 H120 B40 Ir4 N12 -","4","1","","Bae, Hye Jin; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Eo, Maengsun; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung","Heteroleptic tris-cyclometalated iridium(iii) complexes supported by an o-carboranyl-pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8549","8552","10.1039/c3dt51019k","","","0.71073","MoKα","","0.0711","0.0521","","","0.1279","0.1357","","","","","","1.028","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021789","14.7323","0.001","8.1094","0.0005","13.5844","0.0008","90","","90","","90","","1622.93","0.18","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H19 N3 O4 Zn -","- C15 H19 N3 O4 Zn -","- C60 H76 N12 O16 Zn4 -","4","1","","Ojwach, Stephen O.; Okemwa, Teddy T.; Attandoh, Nelson W.; Omondi, Bernard","Structural and kinetic studies of the polymerization reactions of ε-caprolactone catalyzed by (pyrazol-1-ylmethyl)pyridine Cu(ii) and Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10735","10745","10.1039/c3dt51338f","","","0.71073","MoKα","","0.03","0.0253","","","0.0574","0.0593","","","","","","1.029","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7022076","19.569","0.003","13.4929","0.0013","35.129","0.003","90","","90","","90","","9275.6","1.9","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C78 H140 N8 Si8 Sm2 -","- C78 H140 N8 Si8 Sm2 -","- C312 H560 N32 Si32 Sm8 -","4","1","","Sun, Song; Nie, Kun; Tan, Yufang; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Bimetallic lanthanide amido complexes as highly active initiators for the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2870","2878","10.1039/c2dt31597a","","","0.71075","MoKα","","0.1015","0.0802","","","0.1743","0.1914","","","","","","1.055","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022077","19.5917","0.0014","13.4025","0.0011","35.085","0.003","90","","90","","90","","9212.5","1.3","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C78 H140 N8 Si8 Y2 -","- C78 H140 N8 Si8 Y2 -","- C312 H560 N32 Si32 Y8 -","4","1","","Sun, Song; Nie, Kun; Tan, Yufang; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Bimetallic lanthanide amido complexes as highly active initiators for the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2870","2878","10.1039/c2dt31597a","","","0.71075","MoKα","","0.1405","0.0888","","","0.1816","0.2129","","","","","","1.047","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022230","16.314","0.005","10.921","0.004","18.668","0.006","90","","90","","90","","3326","1.9","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H46 Lu N3 Si4 -","- C26 H46 Lu N3 Si4 -","- C104 H184 Lu4 N12 Si16 -","4","1","","Wang, Yibin; Lei, Yinlin; Chi, Shuhui; Luo, Yunjie","Rare earth metal bis(silylamide) complexes bearing pyridyl-functionalized indenyl ligand: synthesis, structure and performance in the living polymerization of L-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1862","1871","10.1039/c2dt32083e","","","0.71075","MoKα","","0.0596","0.0479","","","0.1036","0.1111","","","","","","1.05","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022268","21.916","0.003","16.8022","0.0017","15.7466","0.0017","90","","90","","90","","5798.5","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C70 H64 N8 O2 Zn -","- C70 H64 N8 O2 Zn -","- C280 H256 N32 O8 Zn4 -","4","1","","Matlachowski, Corinna; Schwalbe, Matthias","Synthesis and characterization of mono- and dinuclear phenanthroline-extended tetramesitylporphyrin complexes as well as UV-Vis and EPR studies on their one-electron reduced species.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3490","3503","10.1039/c2dt32196c","","","0.71073","MoKα","","0.1055","0.0585","","","0.1092","0.1251","","","","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022282","10.1175","0.0011","25.335","0.003","5.043","0.0004","90","","90","","90","","1292.7","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Kataev, Vladislav; Rüffer, Tobias","The formation of overlooked compounds in the reaction of methyl amine with the diethyl ester of o-phenylenebis(oxamic acid) in MeOH.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1798","1809","10.1039/c2dt32259e","","","1.54184","CuKα","","0.0752","0.0598","","","0.1448","0.1521","","","","","","0.953","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022292","25.897","0.003","10.5743","0.001","11.8334","0.0011","90","","90","","90","","3240.5","0.6","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H25 Cl Cu2 N9 O4 -","- C29 H25 Cl Cu2 N9 O4 -","- C116 H100 Cl4 Cu8 N36 O16 -","4","1","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.1537","0.049","","","0.0555","0.0779","","","","","","0.771","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022293","25.707","0.006","10.625","0.003","11.749","0.003","90","","90","","90","","3209.1","1.4","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H25 B Cu2 F4 N9 -","- C29 H25 B Cu2 F4 N9 -","- C116 H100 B4 Cu8 F16 N36 -","4","1","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.1432","0.0461","","","0.0652","0.0781","","","","","","0.707","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022446","28.003","0.008","11.553","0.003","22.405","0.007","90","","90","","90","","7248","4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C80 H72 O12 P4 Pd Rh2 S2 -","- C80 H72 O12 P4 Pd Rh2 S2 -","- C320 H288 O48 P16 Pd4 Rh8 S8 -","4","1","","Castarlenas, Ricardo; Cunchillos, Carmen; Gómez-Bautista, Daniel; Jiménez, M Victoria; Lahoz, Fernando J.; Miranda, José R; Oro, Luis A.; Pérez-Torrente, Jesús J","Bis(hydrosulfido)-bridged dinuclear rhodium(I) complexes as a platform for the synthesis of trinuclear sulfido aggregates with the core [MRh2(μ3-S2)] (M = Rh, Ir, Pd, Pt, Ru).","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3471","3481","10.1039/c2dt32680a","","","0.71073","MoKα","","0.0787","0.06","","","0.1002","0.1063","","","","","","1.072","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022551","17.4911","0.0018","14.3761","0.0014","17.6688","0.0019","90","","90","","90","","4442.9","0.8","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H52 Br3 N2 Ni P -","- C45 H46 Br3 N2 Ni P -","- C180 H184 Br12 N8 Ni4 P4 -","4","1","","Xu, Yan-Chao; Zhang, Jie; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Ionic Ni(II) complexes containing a triphenylphosphine ligand and an imidazolium cation: synthesis, structures and catalysis for aryl Grignard cross-coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8437","8445","10.1039/c3dt00086a","","","0.71075","MoKα","","0.0828","0.0651","","","0.1601","0.1732","","","","","","1.092","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022554","17.27","0.007","14.224","0.005","17.322","0.007","90","","90","","90","","4255","3","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H52 Cl3 N2 Ni P -","- C45 H41 Cl3 N2 Ni P -","- C180 H164 Cl12 N8 Ni4 P4 -","4","1","","Xu, Yan-Chao; Zhang, Jie; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Ionic Ni(II) complexes containing a triphenylphosphine ligand and an imidazolium cation: synthesis, structures and catalysis for aryl Grignard cross-coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8437","8445","10.1039/c3dt00086a","","","0.71075","MoKα","","0.0592","0.0531","","","0.1322","0.1487","","","","","","1.114","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022657","15.1754","0.0005","7.9178","0.0003","20.6589","0.0011","90","","90","","90","","2482.29","0.18","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C8 H26 Hg2 N6 Ni Sb2 Se6 -","- C8 H26 Hg2 N6 Ni Sb2 Se6 -","- C32 H104 Hg8 N24 Ni4 Sb8 Se24 -","4","1","","Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5454","5461","10.1039/c3dt32676d","","","0.71073","MoKα","","0.0881","0.0587","","","0.0914","0.1024","","","","","","1.004","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022789","14.09","0.0019","16.386","0.002","16.393","0.002","90","","90","","90","","3784.8","0.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H74 Cu2 N20 O15 -","- C72 H76 Cu2 N20 O15 -","- C144 H152 Cu4 N40 O30 -","2","0.5","","Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang","Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5902","5915","10.1039/c3dt33013c","","","0.71073","MoKα","","0.0587","0.0533","","","0.1451","0.1507","","","","","","1.06","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022988","15.258","0.006","21.333","0.008","29.267","0.011","90","","90","","90","","9526","6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32.5 H41 Cl3.5 Mn2 N5.5 O26 -","- C32.5 H32 Cl3.5 Mn2 N5.5 O26 -","- C260 H256 Cl28 Mn16 N44 O208 -","8","2","","Wang, Kun; Yi, Xiu-Chun; Wang, Xuan; Li, Xiu-Bing; Gao, En-Qing","Structures and magnetic properties of copper(II) and manganese(II) polymers derived from pseudohalides and a flexible zwitterionic dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8748","8760","10.1039/c3dt50460c","","","0.71073","MoKα","","0.0832","0.0628","","","0.1662","0.18","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023099","18.493","0.005","12.269","0.003","20.647","0.005","90","","90","","90","","4685","2","123","","123","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H54 Cl2 Cu N6 O11 -","- C49 H42 Cl2 Cu N6 O11 -","- C196 H168 Cl8 Cu4 N24 O44 -","4","1","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.0657","","","","0.1832","","","","","","1.079","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023235","20.319","0.004","13.683","0.003","10.2795","0.0019","90","","90","","90","","2858","1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H31 Au F6 N2 P2 -","- C29 H31 Au F6 N2 P2 -","- C116 H124 Au4 F24 N8 P8 -","4","1","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Cationic gold(I) heteroleptic complexes bearing a pyrazole-derived N-heterocyclic carbene: syntheses, characterizations, and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12421","12428","10.1039/c3dt51071a","","","0.71073","MoKα","","0.0494","0.0373","","","0.0764","0.0816","","","","","","0.973","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023245","14.1592","0.0002","20.8726","0.0004","25.038","0.0004","90","","90","","90","","7399.7","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H70 Mo6 N2 O16 P6 S20 -","- C32 H70 Mo6 N2 O16 P6 S20 -","- C128 H280 Mo24 N8 O64 P24 S80 -","4","1","","Hernandez-Molina, Rita; Gushchin, Artem; González-Platas, Javier; Martínez, Manuel; Rodríguez, Carlos; Vicent, Cristian","Tungsten and molybdenum incomplete cuboidal clusters; kinetico-mechanistic studies and association in dimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15016","15027","10.1039/c3dt51101d","","","1.5418","CuKα","","0.0837","0.0694","","","0.176","0.1907","","","","","","1.142","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023383","22.401","0.005","12.421","0.003","19.403","0.004","90","","90","","90","","5399","2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H51 Cl4 Fe2 N5 P4 -","- C54 H51 Cl4 Fe2 N5 P4 -","- C216 H204 Cl16 Fe8 N20 P16 -","4","1","","Frank, Nicolas; Hanau, Katharina; Flosdorf, Kimon; Langer, Robert","Formation of an iron phosphine-borane complex by formal insertion of BH₃ into the Fe-P bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11252","11261","10.1039/c3dt51254a","","","0.71073","MoKα","","0.0762","0.0468","","","0.0808","0.088","","","","","","0.97","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023599","12.4616","0.0003","20.6622","0.0006","12.8212","0.0004","90","","90","","90","","3301.25","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H30 N2 O P2 S2 -","- C39 H30 N2 O P2 S2 -","- C156 H120 N8 O4 P8 S8 -","4","1","","Majhi, Paresh Kumar; Sauerbrey, Susanne; Leiendecker, Alexander; Schnakenburg, Gregor; Arduengo, 3rd, Anthony J; Streubel, Rainer","Synthesis and first complexes of C(4/5) P-bifunctional imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13126","13136","10.1039/c3dt51557e","","","0.71073","MoKα","","0.0459","0.0411","","","0.1012","0.1046","","","","","","1.038","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023620","21.773","0.01","12.4264","0.0008","23.7209","0.0006","90","","90","","90","","6418","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H60 Dy2 N6 O15 -","- C66 H60 Dy2 N6 O15 -","- C264 H240 Dy8 N24 O60 -","4","1","","Wang, Hailong; Liu, Chenxi; Liu, Tao; Zeng, Suyuan; Cao, Wei; Ma, Qi; Duan, Chunying; Dou, Jianmin; Jiang, Jianzhuang","Mixed (phthalocyaninato)(Schiff-base) di-dysprosium sandwich complexes. Effect of magnetic coupling on the SMM behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15355","15360","10.1039/c3dt51590g","","","0.71073","MoKα","","0.055","0.0434","","","0.1103","0.1178","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023621","21.8735","0.0013","12.4022","0.0007","23.739","0.0014","90","","90","","90","","6439.9","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H60 Gd2 N6 O15 -","- C66 H60 Gd2 N6 O15 -","- C264 H240 Gd8 N24 O60 -","4","1","","Wang, Hailong; Liu, Chenxi; Liu, Tao; Zeng, Suyuan; Cao, Wei; Ma, Qi; Duan, Chunying; Dou, Jianmin; Jiang, Jianzhuang","Mixed (phthalocyaninato)(Schiff-base) di-dysprosium sandwich complexes. Effect of magnetic coupling on the SMM behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15355","15360","10.1039/c3dt51590g","","","0.71073","MoKα","","0.0501","0.0436","","","0.1195","0.1256","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023785","24.0134","0.0002","20.4685","0.0003","16.1406","0.0002","90","","90","","90","","7933.4","0.17","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H42 B F10 P Zr -","- C44 H42 B F10 P Zr -","- C352 H336 B8 F80 P8 Zr8 -","8","2","","Frömel, Silke; Kehr, Gerald; Fröhlich, Roland; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of dimethylzirconocene complexes with a vicinal frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14531","14536","10.1039/c3dt52128a","","","0.71073","MoKα","","0.0689","0.0552","","","0.1161","0.1288","","","","","","1.116","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023974","11.2176","0.0004","19.5159","0.0006","7.0585","0.0002","90","","90","","90","","1545.26","0.08","90","0.1","90","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 N5 O -","- C19 H14 N5 O -","- C76 H56 N20 O4 -","4","1","","Johnston, Cooper W.; McKinnon, Stephen D. J.; Patrick, Brian O.; Hicks, Robin G.","The first ""Kuhn verdazyl"" ligand and comparative studies of its PdCl2 complex with analogous 6-oxoverdazyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16829","16836","10.1039/c3dt52191e","","","0.71073","MoKα","","0.0782","0.0731","","","0.1991","0.2023","","","","","","1.134","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023986","14.144","0.001","20.3112","0.0012","11.9648","0.0011","90","","90","","90","","3437.3","0.4","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H39 Bi N2 O3 Si2 -","- C36 H39 Bi N2 O3 Si2 -","- C144 H156 Bi4 N8 O12 Si8 -","4","1","","Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor","Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16403","16411","10.1039/c3dt52230j","","","0.71073","MoKα","","0.0367","0.0292","","","0.0666","0.0717","","","","","","1.106","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023987","14.2341","0.0016","20.3199","0.0011","11.85","0.0014","90","","90","","90","","3427.4","0.6","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H39 N2 O3 Sb Si2 -","- C36 H39 N2 O3 Sb Si2 -","- C144 H156 N8 O12 Sb4 Si8 -","4","1","","Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor","Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16403","16411","10.1039/c3dt52230j","","","0.71073","MoKα","","0.0486","0.0356","","","0.0647","0.0704","","","","","","1.1","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024019","17.122","0.003","16.141","0.002","9.4508","0.0012","90","","90","","90","","2611.9","0.7","123","","123","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H32 Fe O2 Si4 -","- C22 H32 Fe O2 Si4 -","- C88 H128 Fe4 O8 Si16 -","4","1","","Sunada, Yusuke; Tsutsumi, Hironori; Shigeta, Keisuke; Yoshida, Ryota; Hashimoto, Toru; Nagashima, Hideo","Catalyst design for iron-promoted reductions: an iron disilyl-dicarbonyl complex bearing weakly coordinating η(2)-(H-Si) moieties.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16687","16692","10.1039/c3dt52598h","","","0.71075","MoKα","","","0.0558","","","","0.1434","","","","","","1.067","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024206","6.9932","0.0009","18.085","0.002","14.1246","0.0015","90","","90","","90","","1786.4","0.4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H11 N7 O4 Si -","- C18 H11 N7 O4 Si -","- C72 H44 N28 O16 Si4 -","4","1","","Portius, Peter; Davis, Martin","A new hexakis(isocyanato)silicate(IV) and the first neutral Lewis-base adducts of silicon tetraisocyanate.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","527","532","10.1039/b912736d","","","0.71073","MoKα","","0.0467","0.0365","","","0.0813","0.0862","","","","","","1.028","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7024210","21.2062","0.0012","13.2498","0.0007","13.7667","0.0008","90","","90","","90","","3868.1","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H37 Br2 Cl2 N2 Ni P -","- C41 H37 Br2 Cl2 N2 Ni P -","- C164 H148 Br8 Cl8 N8 Ni4 P4 -","4","1","","Wallis, Christopher J.; Kraft, Ira L.; Patrick, Brian O.; Mehrkhodavandi, Parisa","Electron rich bidentate phosphinimine-imine ligands: synthesis and reactivity of late transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","541","547","10.1039/b912783f","","","0.71073","MoKα","","0.0436","0.0288","","","0.0517","0.0553","","","","","","0.983","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7024266","13.449","0.003","26.229","0.005","10.973","0.002","90","","90","","90","","3870.8","1.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H34 Br4 Mn2 N4 O8 -","- C38 H34 Br4 Mn2 N4 O8 -","- C152 H136 Br16 Mn8 N16 O32 -","4","1","","Martínez, David; Motevalli, Majid; Watkinson, Michael","Is there really a diagnostically useful relationship between the carbon-oxygen stretching frequencies in metal carboxylate complexes and their coordination mode?","Dalton transactions (Cambridge, England : 2003)","2010","39","2","446","455","10.1039/b913865j","","","0.71073","MoKα","","0.1141","0.0577","","","0.1022","0.1183","","","","","","0.926","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7024307","7.231","0.002","16.087","0.003","13.728","0.003","90","","90","","90","","1596.9","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","oxonium chloride compound with hydrogen (1,3-benzothiazol-3-ium-2-ylamino)(phosphono)methylphosphonate (1:1) 1.3 hydrate","","- C8 H15.6 Cl N2 O8.3 P2 S -","- C8 H11.418 Cl N2 O8.326 P2 S -","- C32 H45.672 Cl4 N8 O33.304 P8 S4 -","4","1","","Matczak-Jon, Ewa; Kowalik-Jankowska, Teresa; Slepokura, Katarzyna; Kafarski, Paweł; Rajewska, Anna","Specificity of the zinc(II), magnesium(II) and calcium(II) complexation by (pyridin-2-yl)aminomethane-1,1-diphosphonic acids and related 1,3-(thiazol-2-yl) and 1,3-(benzothiazol-2-yl) derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1207","1221","10.1039/b914647d","","","0.71073","MoKα","","0.0839","0.0697","","","0.0979","0.1023","","","","","","1.155","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7024419","27.3998","0.0009","7.952","0.0003","17.1925","0.0006","90","","90","","90","","3746","0.2","98","2","98","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H24 Au Cl2 N2 P S -","- C14 H24 Au Cl2 N2 P S -","- C112 H192 Au8 Cl16 N16 P8 S8 -","8","2","","Kilpin, Kelly J.; Henderson, William; Nicholson, Brian K.","Cycloaurated triphenylphosphine-sulfide and -selenide.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1855","1864","10.1039/b916755b","","","0.71073","MoKα","","0.0249","0.0216","","","0.0441","0.0457","","","","","","1.13","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7025084","19.128","0.004","14.406","0.003","15.244","0.003","90","","90","","90","","4200.6","1.5","223","2","223","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H32 Ag2 Cl3 N4 O0.5 P2 -","- C37 H32 Ag2 Cl3 N4 O0.5 P2 -","- C148 H128 Ag8 Cl12 N16 O2 P8 -","4","1","","Li, Ni-Ya; Ren, Zhi-Gang; Liu, Dong; Yuan, Rong-Xin; Wei, Li-Pei; Zhang, Liang; Li, Hong-Xi; Lang, Jian-Ping","Construction of [Ag2X2]-based complexes from reactions of Ag(I) salts with N-diphenylphosphanylmethyl-4-aminopyridine: isolation, structures, and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4213","4222","10.1039/b925081f","","","0.71073","MoKα","","0.1555","0.1126","","","0.2467","0.2728","","","","","","1.198","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025362","16.853","0.002","17.329","0.002","10.1789","0.0013","90","","90","","90","","2972.7","0.6","298","2","298","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C26 H29 Cl2 N2 O2 P2 Pd Re -","- C26 H29 Cl2 N2 O2 P2 Pd Re -","- C104 H116 Cl8 N8 O8 P8 Pd4 Re4 -","4","1","","Sierra, Diego; Klahn, A. Hugo; Ramirez-Tagle, Rodrigo; Arratia-Perez, Ramiro; Godoy, Fernando; Teresa Garland, Maria; Fuentealba, Mauricio","Heterobimetallic Re=Pd complexes bridged by eta(1):eta(5)-Ph(2)PC(5)H(4) ligand. Synthesis, electronic and crystal structure of (CO)(2)(PR(3))(eta(5)-C(5)H(4)PPh(2))Re-PdCl(2), R = Me and OMe.","Dalton transactions (Cambridge, England : 2003)","2010","39","27","6295","6301","10.1039/b927265h","","","0.71073","MoKα","","0.0969","0.0692","","","0.1255","0.1358","","","","","","1.059","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025465","20.8484","0.0016","21.71","0.002","15.4856","0.0013","90","","90","","90","","7009.1","1","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H56 Cr2 Fe2 Mn2 N8 O32 -","- C56 H56 Cr2 Fe2 Mn2 N8 O32 -","- C224 H224 Cr8 Fe8 Mn8 N32 O128 -","4","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of different Fe(III) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4903","4910","10.1039/c001067g","","","0.71073","MoKα","","0.2324","0.0723","","","0.1778","0.2075","","","","","","0.733","","","","has coordinates,has disorder","179960","2020-10-21","18:00:00",""
"7025616","22.697","0.004","11.4073","0.0007","16.757","0.003","90","","90","","90","","4338.6","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H76 Al3 O10 Pr -","- C32 H76 Al3 O10 Pr -","- C128 H304 Al12 O40 Pr4 -","4","1","","Nieland, Anja; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Cationic rare-earth-metal methyl complexes: a new preparative access exemplified for Y and Pr.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6753","6760","10.1039/c002252g","","","0.71073","MoKα","","0.0582","0.0342","","","0.0679","0.0767","","","","","","0.941","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025650","19.105","0.002","15.219","0.002","19.231","0.002","90","","90","","90","","5591.6","1.1","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","PrZnOBcpy","","","- C45 H73 N2 O14 Pr Zn2 -","- C45 H73 N2 O14 Pr Zn2 -","- C180 H292 N8 O56 Pr4 Zn8 -","4","1","","Boyle, Timothy J.; Raymond, Rebecca; Boye, Daniel M.; Ottley, Leigh Anna M.; Lu, Ping","Structurally characterized luminescent lanthanide zinc carboxylate precursors for Ln-Zn-O nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","8050","8063","10.1039/c002492a","","","0.71073","MoKα","","0.077","0.0465","","","0.0812","0.0914","","","","","","1.002","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025651","18.846","0.002","15.125","0.002","19.045","0.002","90","","90","","90","","5428.7","1.1","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","NdZnOBcpy","","","- C45 H73 N2 Nd O14 Zn2 -","- C45 H73 N2 Nd O14 Zn2 -","- C180 H292 N8 Nd4 O56 Zn8 -","4","1","","Boyle, Timothy J.; Raymond, Rebecca; Boye, Daniel M.; Ottley, Leigh Anna M.; Lu, Ping","Structurally characterized luminescent lanthanide zinc carboxylate precursors for Ln-Zn-O nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","8050","8063","10.1039/c002492a","","","0.71073","MoKα","","0.0243","0.0236","","","0.0603","0.0609","","","","","","1.051","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025652","18.856","0.002","15.096","0.002","18.999","0.002","90","","90","","90","","5408.1","1.1","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","SmZnOBcpy","","","- C45 H73 N2 O14 Sm Zn2 -","- C45 H73 N2 O14 Sm Zn2 -","- C180 H292 N8 O56 Sm4 Zn8 -","4","1","","Boyle, Timothy J.; Raymond, Rebecca; Boye, Daniel M.; Ottley, Leigh Anna M.; Lu, Ping","Structurally characterized luminescent lanthanide zinc carboxylate precursors for Ln-Zn-O nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","8050","8063","10.1039/c002492a","","","0.71073","MoKα","","0.0398","0.0344","","","0.0744","0.0773","","","","","","1.042","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025691","23.579","0.003","23.671","0.003","14.476","0.002","90","","90","","90","","8079.6","1.8","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39.25 H64.5 Co N2 O3.75 -","- C39.25 H64.5 Co N2 O3.75 -","- C314 H516 Co8 N16 O30 -","8","2","","Das, Uttam K.; Bobak, Julia; Fowler, Candace; Hann, Sarah E.; Petten, Chad F.; Dawe, Louise N.; Decken, Andreas; Kerton, Francesca M.; Kozak, Christopher M.","Synthesis and structure of mono-, bi- and trimetallic amine-bis(phenolate) cobalt(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5462","5477","10.1039/c002843f","","","0.71075","MoKα","","0.0636","0.0601","","","0.1632","0.168","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025693","23.496","0.003","23.319","0.003","14.4917","0.0017","90","","90","","90","","7940","1.7","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37.75 H61.5 Co N2 O3.25 -","- C37.75 H55.5 Co N2 O3.25 -","- C302 H444 Co8 N16 O26 -","8","2","","Das, Uttam K.; Bobak, Julia; Fowler, Candace; Hann, Sarah E.; Petten, Chad F.; Dawe, Louise N.; Decken, Andreas; Kerton, Francesca M.; Kozak, Christopher M.","Synthesis and structure of mono-, bi- and trimetallic amine-bis(phenolate) cobalt(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5462","5477","10.1039/c002843f","","","0.71075","MoKα","","0.0696","0.0667","","","0.1792","0.1824","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7025778","12.6116","0.0009","7.6773","0.0006","16.0931","0.0012","90","","90","","90","","1558.2","0.2","125.1","","125.1","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H18 Br2 O6 P2 Pt -","- C6 H18 Br2 O6 P2 Pt -","- C24 H72 Br8 O24 P8 Pt4 -","4","1","","Waddell, Paul G.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Correlating Pt-P bond lengths and Pt-P coupling constants.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8620","8625","10.1039/c003256e","","","0.71075","MoKα","","","0.0335","","","","0.0664","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026025","13.4193","0.0003","18.7656","0.0002","11.9365","0.0002","90","","90","","90","","3005.86","0.09","293","2","293","2","","","","","","","synthesis","6","P n a 21","P 2c -2n","33","","","","- C35 H29 Cl2 O3 P Ru -","- C35 H29 Cl2 O3 P Ru -","- C140 H116 Cl8 O12 P4 Ru4 -","4","1","","Fernández-Zúmel, Mariano A; Lastra-Barreira, Beatriz; Scheele, Marcus; Díez, Josefina; Crochet, Pascale; Gimeno, José","Chiral phosphonite, phosphite and phosphoramidite eta6-arene-ruthenium(II) complexes: application to the kinetic resolution of allylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7780","7785","10.1039/c0dt00140f","","","0.71073","MoKα","","0.0375","0.0283","","","0.0757","0.1009","","","","","","1.147","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026111","18.5242","0.0008","17.4935","0.0008","9.208","0.0004","90","","90","","90","","2983.9","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H26 Cl3 N2 O2 P Pt -","- C30 H26 Cl3 N2 O2 P Pt -","- C120 H104 Cl12 N8 O8 P4 Pt4 -","4","1","","Durran, Sean E.; Elsegood, Mark R. J.; Hammond, Shelly R.; Smith, Martin B.","Flexible kappa4-PNN'O-tetradentate ligands: synthesis, complexation and structural studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7136","7146","10.1039/c0dt00200c","","","0.71073","MoKα","","0.0508","0.0324","","","0.0661","0.0752","","","","","","1.07","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026126","11.5621","0.0005","26.7715","0.0012","6.4838","0.0003","90","","90","","90","","2006.96","0.16","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H32 Br Cu N2 -","- C23 H32 Br Cu N2 -","- C92 H128 Br4 Cu4 N8 -","4","1","","Díez-González, Silvia; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Stevens, Edwin D.; Slawin, Alexandra M. Z.; Nolan, Steven P.","[(NHC)CuX] complexes: synthesis, characterization and catalytic activities in reduction reactions and Click chemistry. On the advantage of using well-defined catalytic systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","32","7595","7606","10.1039/c0dt00218f","","","0.71073","MoKα","","0.0946","0.0843","","","0.2173","0.2223","","","","","","1.185","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026132","11.8776","0.0002","23.2811","0.0003","11.4274","0.0002","90","","90","","90","","3159.95","0.09","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H45 N O4 Ti -","- C34 H45 N O4 Ti -","- C136 H180 N4 O16 Ti4 -","4","1","","Mba, Miriam; Prins, Leonard J.; Zonta, Cristiano; Cametti, Massimo; Valkonen, Arto; Rissanen, Kari; Licini, Giulia","Ti(IV)-amino triphenolate complexes as effective catalysts for sulfoxidation.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7384","7392","10.1039/c0dt00228c","","","0.71073","MoKα","","0.0454","0.0384","","","0.0797","0.0823","","","","","","1.021","","","","has coordinates,has disorder","179967","2020-10-21","18:00:00",""
"7026146","18.1058","0.0004","11.9735","0.0003","16.776","0.0005","90","","90","","90","","3636.87","0.16","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H59 Ir N2 Si -","- C39 H55 Ir N2 Si -","- C156 H220 Ir4 N8 Si4 -","4","1","","Jungton, Ann-Katrin; Meltzer, Antje; Präsang, Carsten; Braun, Thomas; Driess, Matthias; Penner, Anna","Addition of [(eta(5)-C(5)Me(5))IrH(4)] to a zwitterionic silylene: stepwise formation of iridium(V)-silyl and iridium(III)-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5436","5438","10.1039/c0dt00236d","","","0.71073","MoKα","","0.0508","0.0376","","","0.0586","0.0609","","","","","","1.076","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026156","18.4398","0.0003","17.4848","0.0003","8.9597","0.0002","90","","90","","90","","2888.75","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","5","P n a 21","P 2c -2n","33","","","","- C33 H23 Cu F10 N4 -","- C33 H23 Cu F10 N4 -","- C132 H92 Cu4 F40 N16 -","4","1","","Oguadinma, Paul O.; Rodrigue-Witchel, Alexandre; Reber, Christian; Schaper, Frank","Intramolecular pi-stacking in copper(I) diketiminate phenanthroline complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8759","8768","10.1039/c0dt00240b","","","1.54178","CuKα","","0.0337","0.0314","","","0.0823","0.0841","","","","","","1.042","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026368","20.9573","0.0003","16.217","0.0002","6.1917","0.0001","90","","90","","90","","2104.34","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H26 Fe Se4 -","- C19 H26 Fe Se4 -","- C76 H104 Fe4 Se16 -","4","1","","Jing, Su; Morley, Christopher P.; Gu, Cheng-Yun; Di Vaira, Massimo","1,5,9,13-Tetraselena[13]ferrocenophane: synthesis, complexation, crystallographic and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8812","8819","10.1039/c0dt00367k","","","1.5418","CuKα","","0.0548","0.0532","","","0.153","0.1552","","","","","","1.098","","","","has coordinates,has disorder","179969","2020-10-21","18:00:00",""
"7026395","19.131","0.005","19.226","0.005","7.1899","0.0018","90","","90","","90","","2644.5","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H22 Ca Cd N2 O10 -","- C22 H22 Ca Cd N2 O10 -","- C88 H88 Ca4 Cd4 N8 O40 -","4","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","Syntheses, topological analyses, and NLO-active properties of new Cd(II)/M(II) (M = Ca, Sr) metal-organic frameworks based on R-isophthalic acids (R = H, OH, and t-Bu).","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10719","10728","10.1039/c0dt00390e","","","0.71073","MoKα","","0.0281","0.026","","","0.06","0.0618","","","","","","1.033","","","","has coordinates,has disorder","179969","2020-10-21","18:00:00",""
"7026575","21.501","0.004","9.2983","0.0019","15.361","0.003","90","","90","","90","","3071","1","163","2","163","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B12 Cl12 O8 Rb2 S4 -","- B12 Cl12 O8 Rb2 S4 -","- B48 Cl48 O32 Rb8 S16 -","4","1","","Derendorf, Janis; Kessler, Mathias; Knapp, Carsten; Rühle, Monika; Schulz, Christoph","Alkali metal-sulfur dioxide complexes stabilized by halogenated closo-dodecaborate anions.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8671","8678","10.1039/c0dt00521e","","","0.71073","MoKα","","0.0421","0.0363","","","0.0775","0.0802","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026617","19.7051","0.0012","14.5964","0.001","24.6497","0.0016","90","","90","","90","","7089.8","0.8","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H53 Cl2 Fe N2 Zr -","- C36 H53 Cl2 Fe N2 Zr -","- C288 H424 Cl16 Fe8 N16 Zr8 -","8","2","","Multani, Kanwarpal; Stanlake, Louisa J. E.; Stephan, Douglas W.","Ti and Zr complexes of ferrocenyl amidinates.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8957","8966","10.1039/c0dt00530d","","","0.71073","MoKα","","0.0523","0.0341","","","0.0711","0.0786","","","","","","1.008","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026624","10.8048","0.0005","8.1395","0.0004","10.5819","0.0005","90","","90","","90","","930.63","0.08","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H8 O10 P2 U -","- C H6 O10 P2 U -","- C4 H24 O40 P8 U4 -","4","1","","Knope, Karah E.; Cahill, Christopher L.","Homometallic UO2(2+) diphosphonates assembled under ambient and hydrothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8319","8324","10.1039/c0dt00538j","","","0.71073","MoKα","","0.0194","0.0175","","","0.0434","0.0439","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026625","17.45","0.003","12.188","0.002","11.897","0.002","90","","90","","90","","2530.3","0.7","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","cis-(C18H36N4S2)Ni(ii)dichloridetetrahydrate","cis-(C18H36N4S2)Ni(II)dichloridetetrahydrate","","- C18 H44 Cl2 N4 Ni O4 S2 -","- C18 H44 Cl2 N4 Ni O4 S2 -","- C72 H176 Cl8 N16 Ni4 O16 S8 -","4","1","","McAuley, Alex; Subramanian, S.; Barclay, T.","Synthesis, structure and electrochemistry of isomeric nickel(II) complexes of a [9]ane fused cyclam macrotricycle: evidence for a stable trans-IV and a redox induced rearrangement in a trans-I conformation.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9956","9961","10.1039/c0dt00550a","","","0.71073","MoKα","","0.0428","0.0325","","","0.0777","0.0825","","","","","","1.012","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026669","6.9529","0.0014","22.109","0.004","11.875","0.002","90","","90","","90","","1825.4","0.6","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H12 Ag Ce N4 O10 -","- C18 H12 Ag Ce N4 O10 -","- C72 H48 Ag4 Ce4 N16 O40 -","4","1","","Sun, Ya-guang; Wu, Yong-li; Xiong, Gang; Smet, Philippe F.; Ding, Fu; Guo, Mei-yan; Zhu, Ming-chang; Gao, En-jun; Poelman, Dirk; Verpoort, Francis","Hydrothermal synthesis, crystal structure and properties of Ag(I)-4f compounds based on 1H-benzimidazole-5,6-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11383","11395","10.1039/c0dt00579g","","","0.71073","MoKα","","0.0209","0.0204","","","0.0495","0.0498","","","","","","1.141","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026699","14.616","0.003","8.8915","0.0018","24.367","0.005","90","","90","","90","","3166.7","1.1","298","2","298","2","","","101.33","","","","","3","P n a 21","P 2c -2n","33","","N-(2-isopropylphenyl)-N,N-(2,2'-dipyridyl)amine","","- C19 H19 N3 -","- C19 H19 N3 -","- C152 H152 N24 -","8","2","","Allen, John J.; Hamilton, Christopher E.; Barron, Andrew R.","Synthesis and characterization of aryl substituted bis(2-pyridyl)amines and their copper olefin complexes: investigation of remote steric control over olefin binding.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11451","11468","10.1039/c0dt00608d","","x-ray","0.71073","MoKα","","0.1129","0.0517","","","0.1225","0.1588","","","","","","1.022","","","","has coordinates,has disorder","179972","2020-10-21","18:00:00",""
"7026764","18.798","0.0008","11.7552","0.0005","17.4673","0.0007","90","","90","","90","","3859.8","0.3","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H63 Mg N3 -","- C40 H63 Mg N3 -","- C160 H252 Mg4 N12 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","N-Heterocyclic carbene stabilized adducts of alkyl magnesium amide, bisalkyl magnesium and Grignard reagents: trapping oligomeric organo s-block fragments with NHCs.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9091","9099","10.1039/c0dt00693a","","","0.71073","MoKα","","0.054","0.0396","","","0.0807","0.0837","","","","","","0.928","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026795","24.301","0.005","10.58","0.002","8.842","0.0018","90","","90","","90","","2273.3","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[2,6-bis-(2,4,6-trimethylphenyl)phenyl]amino(dichloro)arsane","","- C24 H26 As Cl2 N -","- C24 H26 As Cl2 N -","- C96 H104 As4 Cl8 N4 -","4","1","","Reiss, Fabian; Schulz, Axel; Villinger, Alexander; Weding, Nico","Synthesis of sterically encumbered 2,4-bis-m-terphenyl-1,3-dichloro-2,4-cyclo-dipnictadiazanes [m-TerNPnCl](2), (Pn = P, As).","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9962","9972","10.1039/c0dt00700e","","","0.71073","MoKα","","0.0346","0.0251","","","0.0578","0.0608","","","","","","1.021","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026836","61.658","0.009","13.1427","0.0019","14.888","0.002","90","","90","","90","","12065","3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C66 H80 I Li3 Mn O3 -","- C66 H79 I Li3 Mn O3 -","- C528 H632 I8 Li24 Mn8 O24 -","8","2","","Ni, Chengbao; Fettinger, James C.; Long, Gary J.; Power, Philip P.","Terphenyl substituted derivatives of manganese(II): distorted geometries and resistance to elimination.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10664","10670","10.1039/c0dt00771d","","","0.71073","MoKα","","0.0405","0.0353","","","0.0817","0.0834","","","","","","1.096","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026860","9.758","0.004","6.731","0.003","11.686","0.006","90","","90","","90","","767.5","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H10 N2 O S -","- C6 H10 N2 O S -","- C24 H40 N8 O4 S4 -","4","1","","Pilia, Luca; Artizzu, Flavia; Espa, Davide; Marchiò, Luciano; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","New sulfur-oxygen mixed-donor ligand N,N'-dimethyl-piperazine-3-oxo-2-thione (Me2pipto) and its Ni(II) and Fe(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8139","8142","10.1039/c0dt00803f","","","0.71073","MoKα","","0.0961","0.0431","","","0.0738","0.0853","","","","","","1.005","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026947","21.0725","0.0006","14.0248","0.0004","22.0431","0.0006","90","","90","","90","","6514.6","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34.5 H27 Br Cl3 N3 P -","- C34.5 H27 Br Cl3 N3 P -","- C276 H216 Br8 Cl24 N24 P8 -","8","2","","Brazeau, Allison L.; Caputo, Christine A.; Martin, Caleb D.; Jones, Nathan D.; Ragogna, Paul J.","A new approach to internal Lewis pairs featuring a phosphenium acid and a pyridine base.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11069","11073","10.1039/c0dt01029d","","","0.71073","MoKα","","0.0897","0.0601","","","0.1712","0.1886","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7027083","17.142","0.009","20.552","0.003","16.233","0.004","90","","90","","90","","5719","3","296.2","","296.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H18 F24 Mn3 N6 O12 -","- C44 H20 F24 Mn3 N6 O12 -","- C176 H80 F96 Mn12 N24 O48 -","4","1","","Kajiwara, Takashi; Ito, Tasuku","Complexed bridging ligand, [M(bpca)2] (M = Mn(II) or Fe(II); Hbpca = bis(2-pyridylcarbonyl)amine), as a building block for linear trinuclear complexes","Journal of the Chemical Society, Dalton Transactions","1998","","20","3351","","10.1039/a806618c","","","0.7107","MoKα","","0.1129","0.0585","","","","0.1882","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027103","17.298","0.001","20.032","0.001","11.727","0.001","90","","90","","90","","4063.6","0.5","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H62 K2 O3 Si3 -","- C32 H62 K2 O3 Si3 -","- C128 H248 K8 O12 Si12 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Leung, Wing-Por; Liu, Dian-Sheng; Mak, Thomas C. W.; Wang, Zhong-Xia","Synthesis and structures of some silylallyl-lithium or -potassium complexes","Journal of the Chemical Society, Dalton Transactions","1999","","8","1257","","10.1039/a806870d","","","0.71073","MoKα","","0.108","0.0989","","","0.2606","0.2684","","","","","","1.148","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027104","19.325","0.004","8.66","0.002","14.75","0.003","90","","90","","90","","2468.5","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H41 Li N2 Si2 -","- C18 H41 Li N2 Si2 -","- C72 H164 Li4 N8 Si8 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Leung, Wing-Por; Liu, Dian-Sheng; Mak, Thomas C. W.; Wang, Zhong-Xia","Synthesis and structures of some silylallyl-lithium or -potassium complexes","Journal of the Chemical Society, Dalton Transactions","1999","","8","1257","","10.1039/a806870d","","","0.71073","MoKα","","0.2639","0.0482","","","0.1019","0.1337","","","","","","0.729","","","","has coordinates,has disorder","179977","2020-10-21","18:00:00",""
"7027113","20.525","0.005","13.38","0.004","7.974","0.0007","90","","90","","90","","2189.9","0.9","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H33 B F4 Mo O P3 -","- C14 H33 B F4 Mo O P3 -","- C56 H132 B4 F16 Mo4 O4 P12 -","4","1","","Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo; Quadrelli, E. Alessandra","Formation of organometallic hydroxo and oxo complexes by oxidation of transition metal hydrides in the presence of water. X-Ray structures of [CpMo(OH)(PMe3)3][BF4] and [CpMo(O)(PMe3)2][BF4]","Journal of the Chemical Society, Dalton Transactions","1999","","3","497","","10.1039/a807111j","","","0.71073","MoKα","","0.0353","0.0267","","","0.0567","0.0604","","","","","","1.071","","","","has coordinates,has disorder","179977","2020-10-21","18:00:00",""
"7027490","12.793","0.01","13.167","0.008","7.731","0.003","90","","90","","90","","1302.3","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N3 O7 -","- C8 H12 Cl Cu N3 O7 -","- C32 H48 Cl4 Cu4 N12 O28 -","4","1","","Long, La-Sheng; Yang, Shi-Ping; Tong, Ye-Xiang; Mao, Zong-Wan; Chen, Xiao-Ming; Ji, Liang-Nian","Synthesis, crystal structures and properties of copper(II) complexes of Schiff base derivatives containing imidazole and β-alanine groups","Journal of the Chemical Society, Dalton Transactions","1999","","12","1999","","10.1039/a903154e","","","0.71073","MoKα","","0.0947","0.0618","","","0.1601","0.1858","","","","","","1.086","","","","has coordinates,has disorder","179980","2020-10-21","18:00:00",""
"7027515","18.999","0.001","27.303","0.001","9.902","0.001","90","","90","","90","","5136.5","0.6","198","2","198","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C59 H68 B N Si Zr2 -","- C59 H68 B N Si Zr2 -","- C236 H272 B4 N4 Si4 Zr8 -","4","1","","Pflug, Jörg; Fröhlich, Roland; Erker, Gerhard","Unexpected alkyl-substituent exchange during the formation of a cationic bis(zirconocene) complex that contains a planar four-co-ordinate carbon atom","Journal of the Chemical Society, Dalton Transactions","1999","","15","2551","","10.1039/a903492g","","","0.71073","MoKα","","0.058","0.0375","","","0.0806","0.0873","","","","","","1.04","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027516","25.643","0.001","18.965","0.001","9.398","0.001","90","","90","","90","","4570.4","0.6","198","2","198","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H57 B Si Zr2 -","- C54 H57 B Si Zr2 -","- C216 H228 B4 Si4 Zr8 -","4","1","","Pflug, Jörg; Fröhlich, Roland; Erker, Gerhard","Unexpected alkyl-substituent exchange during the formation of a cationic bis(zirconocene) complex that contains a planar four-co-ordinate carbon atom","Journal of the Chemical Society, Dalton Transactions","1999","","15","2551","","10.1039/a903492g","","","0.71073","MoKα","","0.041","0.032","","","0.0704","0.0744","","","","","","1.038","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027588","14.7441","0.001","9.6438","0.0013","27.253","0.002","90","","90","","90","","3875.1","0.7","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C36 H28 Br2 F8 Mn N4 O2 S4 -","- C36 H26 Br2 F8 Mn N4 O2 S4 -","- C144 H104 Br8 F32 Mn4 N16 O8 S16 -","4","1","","Goodgame, David M. L.; Grachvogel, David A.; Holland, Stephanie; Long, Nicholas J.; White, Andrew J. P.; Williams, David J.","Diversity of chain, interwoven and network structures formed by metal complexes with 2,3,5,6-tetrafluoro-1,4-bis(4-pyridyl-sulfenyl)benzene †","Journal of the Chemical Society, Dalton Transactions","1999","","19","3473","","10.1039/a904453a","","","1.54178","CuKα","","0.0832","0.0577","","0.1481","0.1306","","","","1.052","1.096","1.096","","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027694","11.197","0.002","12.727","0.002","18.012","0.003","90","","90","","90","","2566.8","0.7","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H40 B16 Fe N2 -","- C14 H40 B16 Fe N2 -","- C56 H160 B64 Fe4 N8 -","4","1","","Grüner, Bohumír; Teixidor, Francesc; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko; Štíbr, Bohumil","Ferratricarbollide design for molecular assemblies: complexes [9,9′-(ButHN)2-commo-2,2′-M-closo-1,7,9-(C3B8H10)-1′,7′,9′-(C3B8H10)] (where M = Fe or Ru), the first examples of double-cluster metallatricarbollides †","Journal of the Chemical Society, Dalton Transactions","1999","","19","3337","","10.1039/a905606h","","","0.71069","MoKα","","0.0478","0.0347","","","0.0943","0.1013","","","","","","1.04","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027696","12.8413","0.0003","23.9689","0.0003","14.0305","0.0005","90","","90","","90","","4318.47","0.19","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H40 F18 N11 P3 Ru -","- C28 H40 F18 N11 P3 Ru -","- C112 H160 F72 N44 P12 Ru4 -","4","1","","Coe, Benjamin J.; Harris, James A.; Asselberghs, Inge; Persoons, André; Jeffery, John C.; Rees, Leigh H.; Gelbrich, Thomas; Hursthouse, Michael B.","Tuning of charge-transfer absorption and molecular quadratic non-linear optical properties in ruthenium(II) ammine complexes †","Journal of the Chemical Society, Dalton Transactions","1999","","20","3617","","10.1039/a905652a","","","0.71073","MoKα","","0.0972","0.0482","","","0.0867","0.0979","","","","","","0.958","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027816","15.681","0.001","11.324","0.002","9.807","0.001","90","","90","","90","","1741.4","0.4","296.2","","296.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H12 Cl2 Ir2 N2 O6 -","- C10 H12 Cl2 Ir2 N2 O6 -","- C40 H48 Cl8 Ir8 N8 O24 -","4","1","","Kanematsu, Naohiro; Ebihara, Masahiro; Kawamura, Takashi","A one-step synthesis of an iridium(II) dinuclear complex. Preparation, structures and properties of bis(μ-acetato)dicarbonyldichlorodiiridium(II) complexes †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4413","","10.1039/a907776f","","","0.7107","MoKα","","0.0707","0.0386","","","0.0809","0.0908","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028223","20.776","0.0005","9.2017","0.0002","34.0552","0.0009","90","","90","","90","","6510.5","0.3","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H50 Ba I2 O5 -","- C25 H50 Ba I2 O5 -","- C200 H400 Ba8 I16 O40 -","8","2","","Langer, Jens; Görls, Helmar","Synthesis, characterization and reactivity of potassium and barium complexes containing phosphane-borane stabilized methanides.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","458","468","10.1039/c3dt52257a","","","0.71073","MoKα","","0.0425","0.0403","","","0.0948","0.0962","","","","","","1.133","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028351","8.95","0.0007","22.688","0.002","7.5123","0.0007","90","","90","","90","","1525.4","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 Ni S2 -","- C16 H14 N2 Ni S2 -","- C64 H56 N8 Ni4 S8 -","4","1","","Dutta, Pradip Kr; Asatkar, Ashish K.; Zade, Sanjio S.; Panda, Snigdha","Oxidative addition of disulfide/diselenide to group 10 metal(0) and in situ functionalization to form neutral thiasalen/selenasalen group 10 metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1736","1743","10.1039/c3dt52132j","","","0.71073","MoKα","","0.0257","0.0215","","","0.0481","0.0498","","","","","","1.024","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028446","24.6646","0.0014","14.2926","0.0007","11.5541","0.0007","90","","90","","90","","4073.1","0.4","180","1","180","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H42 Cr N6 O4 -","- C47 H42 Cr N6 O4 -","- C188 H168 Cr4 N24 O16 -","4","1","","Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Methanetrisamidines in coordination chemistry - syntheses, structures and CH-NH tautomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2907","2914","10.1039/c3dt53261e","","","0.71073","MoKα","","0.086","0.0443","","","0.0839","0.0961","","","","","","1.01","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028506","13.521","0.003","26.046","0.006","8.728","0.002","90","","90","","90","","3073.7","1.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H28 Cl2 F6 Ir N6 P -","- C28 H28 Cl2 F6 Ir N6 P -","- C112 H112 Cl8 F24 Ir4 N24 P4 -","4","1","","Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Pyridine imines as ligands in luminescent iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4026","4039","10.1039/c3dt52975d","","","0.71073","MoKα","","0.0351","0.0297","","","0.0653","0.0671","","","","","","1.003","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028523","18.283","0.004","8.5829","0.0017","12.412","0.003","90","","90","","90","","1947.7","0.7","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H22 Co I O2 P2 S -","- C14 H22 Co I O2 P2 S -","- C56 H88 Co4 I4 O8 P8 S4 -","4","1","","Niu, Qingfen; Sun, Hongjian; Wang, Lin; Hu, Qingping; Li, Xiaoyan","Reactivity of mer-hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4059","4066","10.1039/c3dt52519h","","","0.71073","MoKα","","0.0411","0.0353","","","0.098","0.1042","","","","","","0.863","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028546","24.025","0.003","9.4785","0.0011","18.776","0.002","90","","90","","90","","4275.7","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H42 Cu2 Mn N4 O8 -","- C48 H42 Cu2 Mn N4 O8 -","- C192 H168 Cu8 Mn4 N16 O32 -","4","1","","Seth, Piya; Ghosh, Soumavo; Figuerola, Albert; Ghosh, Asutosh","Trinuclear heterometallic Cu(II)-Mn(II) complexes of a salen type Schiff base ligand: anion dependent variation of phenoxido bridging angles and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","990","998","10.1039/c3dt52012a","","","0.71073","MoKα","","0.0303","0.026","","","0.0607","0.0627","","","","","","1.03","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028647","20.6176","0.0002","11.0391","0.0001","8.7929","0.0001","90","","90","","90","","2001.26","0.03","295","2","295","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H28 Cl F6 N2 P Ru -","- C16 H28 Cl F6 N2 P Ru -","- C64 H112 Cl4 F24 N8 P4 Ru4 -","4","1","","Ganeshpandian, Mani; Loganathan, Rangasamy; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohammad Abdulkadher; Palaniandavar, Mallayan","New ruthenium(II) arene complexes of anthracenyl-appended diazacycloalkanes: effect of ligand intercalation and hydrophobicity on DNA and protein binding and cleavage and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1203","1219","10.1039/c3dt51641e","","","0.71073","MoKα","","0.0222","0.0209","","","0.0499","0.0506","","","","","","1.047","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028726","22.0403","0.0007","9.7351","0.0003","14.5013","0.0005","90","","90","","90","","3111.46","0.17","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H29 Cl2 N3 O2 P Re -","- C33 H29 Cl2 N3 O2 P Re -","- C132 H116 Cl8 N12 O8 P4 Re4 -","4","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0476","0.0411","","","0.1035","0.1074","","","","","","1.084","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028753","17.4186","0.0011","32.397","0.002","10.541","0.0007","90","","90","","90","","5948.4","0.7","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","N2,N2',N6,N6'-tetrakis(5-tert-butyl-1H pyrazol-3-yl)- 4,4'-bipyridine-2,2',6,6'-tetracarboxamide","","","- C51 H79 N17 O10 -","- C51 H79 N17 O10 -","- C204 H316 N68 O40 -","4","1","","Zarrabi, Niloofar; Hayward, John J.; Clegg, William; Pilkington, Melanie","Saddling up copper - new twists on a metallo-wheel.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2352","2355","10.1039/c3dt53267d","","","0.71073","MoKα","","0.0848","0.0818","","","0.2401","0.2439","","","","","","1.12","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028817","17.6769","0.0007","13.3006","0.0005","10.9901","0.0004","90","","90","","90","","2583.92","0.17","173","1","173","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H25 F6 N5 O4 P Re -","- C19 H25 F6 N5 O4 P Re -","- C76 H100 F24 N20 O16 P4 Re4 -","4","1","","Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2259","2271","10.1039/c3dt52605d","","","0.71073","MoKα","","0.0229","0.021","","","0.0515","0.053","","","","","","1.142","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028869","12.1693","0.0018","21.844","0.003","8.3719","0.0011","90","","90","","90","","2225.5","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H30 N2 P2 -","- C23 H30 N2 P2 -","- C92 H120 N8 P8 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.0747","0.0444","","","0.0863","0.0953","","","","","","1.017","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028913","23.1194","0.0005","37.147","0.0012","11.03","0.0003","90","","90","","90","","9472.7","0.4","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[K(2,2,2-crypt)][Fe(Et3Al:aIPr-H)2(mes)]","","- C93 H147 Al2 Fe K N6 O6 -","- C93 H147 Al2 Fe K N6 O6 -","- C372 H588 Al8 Fe4 K4 N24 O24 -","4","1","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.5418","CuKα","","0.083","0.0706","","","0.1363","0.1405","","","","","","1.105","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7029172","14.352","0.007","7.368","0.004","11.781","0.006","90","","90","","90","","1245.8","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","trichloro(N,N,N',N'-tetramethylethane-1,2-diamine)oxidoniobium(V)","","- C6 H16 Cl3 N2 Nb O -","- C6 H16 Cl3 N2 Nb O -","- C24 H64 Cl12 N8 Nb4 O4 -","4","1","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0521","0.0449","","","0.1102","0.1162","","","","","","1.037","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029412","17.6391","0.0002","20.0133","0.0002","16.0589","0.0002","90","","90","","90","","5669.06","0.11","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H96 Al4 Li4 O10 -","- C40 H96 Al4 Li4 O10 -","- C160 H384 Al16 Li16 O40 -","4","1","","Less, Robert J.; Simmonds, Hayley R.; Wright, Dominic S.","Reactivity and catalytic activity of tert-butoxy-aluminium hydride reagents.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5785","5792","10.1039/c4dt00152d","","","0.71073","MoKα","","0.0575","0.0414","","","0.1068","0.1118","","","","","","0.977","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029587","13.0223","0.0002","17.477","0.0003","12.0846","0.0002","90","","90","","90","","2750.34","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H18 N2 O2 Si -","- C11 H18 N2 O2 Si -","- C88 H144 N16 O16 Si8 -","8","2","","Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.","Biomimetic polyorganosiloxanes: model compounds for new materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7734","7746","10.1039/c4dt00554f","","","0.71073","MoKα","","0.0573","0.0379","","","0.0819","0.0897","","","","","","1.033","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029676","24.5391","0.0005","10.0402","0.0002","13.0353","0.0003","90","","90","","90","","3211.6","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H50 B O3 P2 Rh -","- C31 H50 B O3 P2 Rh -","- C124 H200 B4 O12 P8 Rh4 -","4","1","","Kalläne, Sabrina I; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Versatile reactivity of a rhodium(i) boryl complex towards ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6786","6801","10.1039/c4dt00080c","","","0.71073","MoKα","","0.0424","0.0307","","","0.0611","0.063","","","","","","0.836","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029787","29.94","0.003","13.7039","0.0014","21.536","0.002","90","","90","","90","","8836.1","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C82 H100 Cl4 N4 P2 Pd2 -","- C82 H100 Cl4 N4 P2 Pd2 -","- C328 H400 Cl16 N16 P8 Pd8 -","4","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","Dinuclear NHC-palladium complexes containing phosphine spacers: synthesis, X-ray structures and their catalytic activities towards the Hiyama coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7166","7175","10.1039/c4dt00180j","","","0.71073","MoKα","","0.0593","0.0445","","","0.1202","0.1327","","","","","","1.114","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029883","16.367","0.0016","13.09","0.002","9.463","0.003","90","","90","","90","","2027.4","0.7","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(2,6-diisopropylphenyl)imidazo[1,5-a]pyridin-2-ium hexafluorophosphate","","- C19 H23 F6 N2 P -","- C19 H23 F6 N2 P -","- C76 H92 F24 N8 P4 -","4","1","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","","","0.0624","0.0553","","","0.1498","0.1576","","","","","","1.033","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029922","17.4318","0.0006","25.264","0.0009","24.2173","0.0008","90","","90","","90","","10665.2","0.6","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C91 H85 Cl9 Co6 F N10 O19 P -","- C91 H79 Cl9 Co6 F N10 O18.99 P -","- C364 H316 Cl36 Co24 F4 N40 O75.96 P4 -","4","1","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.71073","MoKα","","0.0512","0.0406","","","0.0946","0.0997","","","","","","1.037","","","","has coordinates,has disorder","180005","2020-10-21","18:00:00",""
"7029963","15.747","0.0004","15.2248","0.0005","17.4931","0.0005","90","","90","","90","","4193.9","0.2","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H35 F12 N11 P2 Pd2 S2 -","- C30 H35 F12 N11 P2 Pd2 S2 -","- C120 H140 F48 N44 P8 Pd8 S8 -","4","1","","Chen, Chao; Chen, Wanzhi; Qiu, Huayu","Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13405","13412","10.1039/c2dt31739g","","","0.71073","MoKα","","0.0565","0.0338","","","0.0713","0.0765","","","","","","0.99","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029997","30.0597","0.0013","8.3317","0.0004","27.4037","0.0012","90","","90","","90","","6863.2","0.5","100","2","100","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C56 H64 Cd2 N16 O12 S8 -","- C56 H64 Cd2 N16 O12 S8 -","- C224 H256 Cd8 N64 O48 S32 -","4","1","","Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.","Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13395","13404","10.1039/c2dt31770b","","x-ray","0.7107","MoKα","","0.0463","0.0359","","","0.0664","0.0705","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030043","18.238","","7.693","","10.678","","90","","90","","90","","1498.18","","293","2","293","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C9 H12 Cl3 N4 O Ru S -","- C9 H12 Cl3 N4 O Ru S -","- C36 H48 Cl12 N16 O4 Ru4 S4 -","4","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","x-ray","0.71073","MoKα","","0.0472","0.0439","","","0.1124","0.1158","","","","","","1.118","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030048","17.8313","0.0016","7.6272","0.0007","10.681","0.0009","90","","90","","90","","1452.6","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C9 H12 Cl3 N4 O Rh S -","- C9 H12 Cl3 N4 O Rh S -","- C36 H48 Cl12 N16 O4 Rh4 S4 -","4","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","","0.71073","MoKα","","0.0226","0.0219","","","0.0578","0.0584","","","","","","1.051","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030097","30.583","0.019","6.321","0.004","10.333","0.006","90","","90","","90","","1998","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe N O -","- C26 H21 Fe N O -","- C104 H84 Fe4 N4 O4 -","4","1","","Xu, Chen; Li, Hong-Mei; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Tang, Si-Fu; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","Cyclometalated Pd(ii) and Ir(iii) 2-(4-bromophenyl)pyridine complexes with N-heterocyclic carbenes (NHCs) and acetylacetonate (acac): synthesis, structures, luminescent properties and application in one-pot oxidation/Suzuki coupling of aryl chlorides containing hydroxymethyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10235","10247","10.1039/c4dt00833b","","","0.71073","MoKα","","0.0643","0.0406","","","0.0806","0.0913","","","","","","1.038","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030111","7.24604","0.00012","12.9546","0.0002","17.9978","0.0003","90","","90","","90","","1689.45","0.05","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 K N3 -","- C18 H20 K N3 -","- C72 H80 K4 N12 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.","Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14265","14274","10.1039/c4dt00808a","","","0.71073","MoKα","","0.0383","0.0316","","","0.0649","0.0679","","","","","","1.044","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030176","29.088","0.006","9.63","0.002","11","0.0015","90","","90","","90","","3081.3","1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H14 N2 Se2 Sn -","- C12 H14 N2 Se2 Sn -","- C96 H112 N16 Se16 Sn8 -","8","2","","Sharma, Rakesh K.; Kedarnath, G.; Wadawale, Amey; Betty, C. A.; Vishwanadh, B.; Jain, Vimal K.","Diorganotin(IV) 2-pyridyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of tin selenide nanocrystals and thin films.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12129","12138","10.1039/c2dt31197f","","","0.71069","MoKα","","0.1769","0.0507","","","0.1083","0.1392","","","","","","0.968","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030291","14.029","0.003","21.253","0.005","43.06","0.01","90","","90","","90","","12839","5","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","mercuryarsenide","","","- C72 H144 As14 Hg2 K4 N8 O24 -","- C72 H144 As14 Hg2 K4 N8 O24 -","- C288 H576 As56 Hg8 K16 N32 O96 -","4","1","","Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman","Synthesis, structure and band gap energy of covalently linked cluster-assembled materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12365","12377","10.1039/c2dt31286g","","","0.71073","MoKα","","0.1198","0.0642","","","0.1168","0.1327","","","","","","0.887","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030343","19.216","0.006","10.729","0.004","9.506","0.003","90","","90","","90","","1959.8","1.1","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 Br N4 Ni -","- C20 H23 Br N4 Ni -","- C80 H92 Br4 N16 Ni4 -","4","1","","Sun, Yunqiang; Li, Xiaoyan; Sun, Hongjian","[CNN]-pincer nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis and catalysis of the Kumada reaction of unactivated C-Cl bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9410","9413","10.1039/c4dt00461b","","","0.71073","MoKα","","0.1019","0.0574","","","0.1252","0.1416","","","","","","0.922","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030875","6.9812","0.0004","14.8221","0.0009","19.046","0.0017","90","","90","","90","","1970.8","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H12 Ba2 N4 O10 -","- C18 H12 Ba2 N4 O10 -","- C72 H48 Ba8 N16 O40 -","4","1","","Wang, Yan-Ning; Yang, Qing-Feng; Li, Guang-Hua; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing","Construction of acylhydrazidate-extended metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11646","11657","10.1039/c4dt00780h","","","0.71073","MoKα","","0.0308","0.0307","","","0.0862","0.0863","","","","","","1.055","","","","has coordinates","189181","2020-10-21","18:00:00",""
"7030904","20.8571","0.0005","9.9387","0.0002","17.6389","0.0004","90","","90","","90","","3656.41","0.14","115","","115","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H40 Cl N3 P2 Ti -","- C41 H40 Cl N3 P2 Ti -","- C164 H160 Cl4 N12 P8 Ti4 -","4","1","","Normand, Adrien T.; Massard, Alexandre; Richard, Philippe; Canovas, Coline; Balan, Cédric; Picquet, Michel; Auffrant, Audrey; Le Gendre, Pierre","Titanium imido complexes stabilised by bis(iminophosphoranyl)methanide ligands: the influence of N-substituents on solution dynamics and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15098","15110","10.1039/c4dt00746h","","x-ray","0.71073","MoKα","","0.0356","0.0317","","","0.0658","0.0686","","","","","","1.059","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7031015","16.739","0.003","9.7212","0.0019","20.247","0.004","90","","90","","90","","3294.7","1.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H46 Ge N2 Te -","- C34 H46 Ge N2 Te -","- C136 H184 Ge4 N8 Te4 -","4","1","","Li, Bin; Li, Yan; Zhao, Na; Chen, Yuefei; Chen, Yujue; Fu, Gang; Zhu, Hongping; Ding, Yuqiang","Synthesis, structure and a nucleophilic coordination reaction of Germanetellurones.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12100","12108","10.1039/c4dt00937a","","","0.71073","MoKα","","0.0528","0.0404","","","0.0982","0.1049","","","","","","1.047","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031061","25.9283","0.0006","9.0626","0.0002","12.5119","0.0003","90","","90","","90","","2940.02","0.12","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H38 Cl3 Ir2 N3 -","- C29 H38 Cl3 Ir2 N3 -","- C116 H152 Cl12 Ir8 N12 -","4","1","","Mondal, Moumita; Ranjeesh, T. K.; Gupta, Suraj K.; Choudhury, Joyanta","Labile coordination approach for the modulation of the electronic properties of ruthenium(ii) and iridium(iii) complexes within an ""N-heterocyclic carbene (NHC)-pyridyl"" dynamic platform.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9356","9362","10.1039/c4dt00551a","","","0.71073","MoKα","","0.0493","0.0471","","","0.1432","0.1449","","","","","","1.055","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031084","8.0992","0.0004","12.0724","0.0005","19.3885","0.0009","90","","90","","90","","1895.75","0.15","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N O4 V -","- C22 H20 N O4 V -","- C88 H80 N4 O16 V4 -","4","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.0425","0.0342","","","0.0801","0.0857","","","","","","1.056","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031143","15.12","0.002","8.363","0.001","19.421","0.002","90","","90","","90","","2455.8","0.5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H20 B Cu F4 N2 S2 -","- C26 H20 B Cu F4 N2 S2 -","- C104 H80 B4 Cu4 F16 N8 S8 -","4","1","","Su, Cheng-Yong; Liao, Sen; Wanner, Matthias; Fiedler, Jan; Zhang, Cheng; Kang, Bei-Sheng; Kaim, Wolfgang","The copper(i)/copper(ii) transition in complexes with 8-alkylthioquinoline based multidentate ligandsElectronic supplementary information (ESI) available. Schemes S1 and S2, Figs. S1‒S7, selected bond lengths and angles and preparation of complexes. See http://www.rsc.org/suppdata/dt/b2/b208120m/","Dalton Transactions","2003","","2","189","","10.1039/b208120m","","","0.71073","MoKα","","0.0694","0.0622","","0.1701","0.1606","","","","1.017","1.063","1.063","","","","","has coordinates,has disorder","180017","2020-10-21","18:00:00",""
"7031158","17.16","0.003","14.26","0.002","7.955","0.0013","90","","90","","90","","1946.6","0.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H25 Cl N Rh -","- C23 H25 Cl N Rh -","- C92 H100 Cl4 N4 Rh4 -","4","1","","Davies, David L.; Al-Duaij, Omar; Fawcett, John; Giardiello, Marco; Hilton, Stephen T.; Russell, David R.","Room-temperature cyclometallation of amines, imines and oxazolines with [MCl2Cp*]2 (M = Rh, Ir) and [RuCl2(p-cymene)]2Based on the presentation given at Dalton Discussion No. 6, 9?11th September 2003, University of York, UK.Electronic supplementary information (ESI) available: Characterisation and crystallographic data for [IrCl2(NH2Ph)Cp*] (6), and Figures showing the structures of 3b, 5b and 6. See http://www.rsc.org/suppdata/dt/b3/b303737a/","Dalton Transactions","2003","","21","4132","","10.1039/b303737a","","","0.71073","MoKα","","0.0286","0.0268","","","0.0669","0.068","","","","","","1.034","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031309","16.6328","0.0007","8.2556","0.0003","14.5112","0.0006","90","","90","","90","","1992.59","0.14","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H27 N2 O Y -","- C20 H27 N2 O Y -","- C80 H108 N8 O4 Y4 -","4","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0897","0.0477","","","0.0753","0.0859","","","","","","1.028","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031310","16.7257","0.0003","8.1039","0.0001","13.9844","0.0003","90","","90","","90","","1895.49","0.06","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H27 N2 O Sc -","- C20 H27 N2 O Sc -","- C80 H108 N8 O4 Sc4 -","4","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0349","0.0295","","","0.0658","0.0686","","","","","","1.045","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031441","20.7561","0.0008","8.0356","0.0003","26.8757","0.0012","90","","90","","90","","4482.5","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H20 B Br2 F2 N3 -","- C25 H20 B Br2 F2 N3 -","- C200 H160 B8 Br16 F16 N24 -","8","2","","Kesavan, Praseetha E.; Gupta, Iti","Carbazole substituted boron dipyrromethenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12405","12413","10.1039/c4dt01160k","","","1.54187","CuKα","","0.0833","0.076","","","0.1918","0.2017","","","","","","1.04","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031472","34.96","0.004","5.9306","0.0007","9.5911","0.001","90","","90","","90","","1988.6","0.4","180","2","180","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C112 H76 N12 -","4","1","","Akl, Joëlle; Sasaki, Isabelle; Lacroix, Pascal G.; Malfant, Isabelle; Mallet-Ladeira, Sonia; Vicendo, Patricia; Farfán, Norberto; Santillan, Rosa","Comparative photo-release of nitric oxide from isomers of substituted terpyridinenitrosylruthenium(ii) complexes: experimental and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12721","12733","10.1039/c4dt00974f","","x-ray","0.71073","MoKα","","0.0689","0.0424","","","0.0802","0.0923","","","","","","1.024","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031476","39.1203","0.0011","8.7705","0.0003","25.6241","0.0007","90","","90","","90","","8791.7","0.5","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H77 Mg N6 Na Si4 -","- C28 H77 Mg N6 Na Si4 -","- C224 H616 Mg8 N48 Na8 Si32 -","8","2","","Francos, J.; Fleming, B. J.; García-Álvarez, P; Kennedy, A. R.; Reilly, K.; Robertson, G. M.; Robertson, S. D.; O'Hara, C T","Complexity in seemingly simple sodium magnesiate systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14424","14431","10.1039/c4dt00921e","","","0.71073","MoKα","","0.0838","0.0652","","","0.1235","0.1322","","","","","","1.076","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031561","17.315","0.0005","16.0128","0.0006","10.1781","0.0003","90","","90","","90","","2822","0.16","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H34 B F2 N3 -","- C33 H34 B F2 N3 -","- C132 H136 B4 F8 N12 -","4","1","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Gautam, Prabhat; Sharma, Rekha; Maragani, Ramesh; Mobin, Shaikh M.","Carbazole-BODIPY conjugates: design, synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13076","","10.1039/c4dt00983e","","","0.71073","MoKα","","0.0609","0.0461","","","0.1099","0.1203","","","","","","1.017","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031749","24.735","0.003","11.999","0.002","23.789","0.002","90","","90","","90","","7060.5","1.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C69 H86 Cl8 Cu2 N4 Si -","- C69 H86 Cl8 Cu2 N4 Si -","- C276 H344 Cl32 Cu8 N16 Si4 -","4","1","","Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine","Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13704","13710","10.1039/c4dt01681e","","","0.71073","MoKα","","0.0373","0.0352","","","0.0955","0.0968","","","","","","1.075","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031852","18.2255","0.0006","13.2449","0.0009","16.4934","0.0005","90","","90","","90","","3981.4","0.3","123","2","123","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C39 H59 N O7 V -","- C39 H59 N O7 V -","- C156 H236 N4 O28 V4 -","4","1","","Hänninen, M M; Peuronen, A.; Damlin, P.; Tyystjärvi, V; Kivelä, H; Lehtonen, A.","Vanadium complexes with multidentate amine bisphenols.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14022","14028","10.1039/c4dt01007h","","x-ray","0.71073","MoKα","","0.0544","0.0408","","","0.081","0.0871","","","","","","1.023","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031952","14.7537","0.001","14.9361","0.001","10.9633","0.0008","90","","90","","90","","2415.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H18 Al2 As2 Cl8 -","- C11 H18 Al2 As2 Cl8 -","- C44 H72 Al8 As8 Cl32 -","4","1","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0499","0.0409","","","0.0954","0.1002","","","","","","1.041","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7032005","15.6262","0.0018","8.4836","0.001","22.772","0.003","90","","90","","90","","3018.8","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 Cl3 Fe N3 -","- C12 H13 Cl3 Fe N3 -","- C96 H104 Cl24 Fe8 N24 -","8","2","","Xu, Beibei; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Liu, Jian; Wu, Li; Feng, Yonggang; Liu, Xiaoming","Iron(iii) complexes of multidentate pyridinyl ligands: synthesis, characterization and catalysis of the direct hydroxylation of benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15337","15345","10.1039/c4dt02032d","","","0.71073","MoKα","","0.0234","0.0212","","","0.0553","0.0563","","","","","","1.048","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032166","11.5188","0.001","23.8743","0.0013","14.0966","0.0007","90","","90","","90","","3876.6","0.4","190","","190","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H42 Ag3 I3 N6 -","- C27 H42 Ag3 I3 N6 -","- C108 H168 Ag12 I12 N24 -","4","1","","Morishima, Yui; Young, David James; Fujisawa, Kiyoshi","Structure and photoluminescence of silver(i) trinuclear halopyrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15915","15928","10.1039/c4dt01978d","","","0.7107","MoKα","","","0.0306","","","","0.0755","","","","","","1.628","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032168","9.5441","0.0015","20.286","0.004","24.142","0.004","90","","90","","90","","4674.2","1.4","201","","201","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H34 Ag3 Cl7 N6 -","- C47 H34 Ag3 Cl7 N6 -","- C188 H136 Ag12 Cl28 N24 -","4","1","","Morishima, Yui; Young, David James; Fujisawa, Kiyoshi","Structure and photoluminescence of silver(i) trinuclear halopyrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15915","15928","10.1039/c4dt01978d","","","0.71075","MoKα","","","0.039","","","","0.053","","","","","","0.567","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032523","17.9123","0.0012","20.9333","0.0013","13.3253","0.0009","90","","90","","90","","4996.5","0.6","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C0 H27 Ag K3 N0 O51 P W11 -","- Ag K3 O51 P W11 -","- Ag4 K12 O204 P4 W44 -","4","1","","Cui, Ying; Shi, Lei; Yang, Yanyi; You, Wansheng; Zhang, Lancui; Zhu, Zaiming; Liu, Meiying; Sun, Licheng","Catalytic water oxidation based on Ag(i)-substituted Keggin polyoxotungstophosphate.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17406","17415","10.1039/c4dt01538j","","","0.71073","MoKα","","0.0498","0.0371","","","0.0962","0.1034","","","","","","1.11","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032575","20.828","0.0002","11.2237","0.0001","18.7759","0.0002","90","","90","","90","","4389.19","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H36 Zr -","- C27 H36 Zr -","- C216 H288 Zr8 -","8","2","","Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut","How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15818","15828","10.1039/c4dt01581a","","","1.54184","CuKα","","0.0237","0.0231","","","0.0594","0.0599","","","","","","1.074","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032892","17.409","0.005","18.998","0.005","24.863","0.005","90","","90","","90","","8223","4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C82 H68 N16 O21 Zn3 -","- C82 H67.5 N16 O21 Zn3 -","- C328 H270 N64 O84 Zn12 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; An, Li-Tao; Shao, Kui-Zhan; Su, Zhong-Min","A novel [4 + 3] interpenetrated net containing 7-fold interlocking pseudo-helical chains and exceptional catenane-like motifs.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2844","2851","10.1039/c4dt02808b","","","0.71069","MoKα","","0.0822","0.0522","","","0.1237","0.1402","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033117","34.0795","0.0014","12.2507","0.0005","14.5298","0.0006","90","","90","","90","","6066.2","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C73 H74 Cl N3 P2 Ru -","- C73 H74 Cl N3 P2 Ru -","- C292 H296 Cl4 N12 P8 Ru4 -","4","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)-cyclometalated complexes and olefin selective hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2712","2723","10.1039/c4dt03156c","","","0.71073","MoKα","","0.0636","0.0416","","","0.0794","0.0868","","","","","","1.013","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033196","25.2966","0.0003","12.6094","0.0001","34.4646","0.0004","90","","90","","90","","10993.3","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C101 H137.78 Ca2 Mn2 N7 O15.39 S8 -","- C101 H137 Ca2 Mn2 N7 O15.4 S8 -","- C404 H548 Ca8 Mn8 N28 O61.6 S32 -","4","1","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","0.71073","MoKα","","0.0637","0.0522","","","0.1372","0.1409","","","","","","1.038","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033309","20.5325","0.0019","9.3801","0.0009","19.4895","0.0015","90","","90","","90","","3753.6","0.6","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H48 Br Cu P2 -","- C42 H48 Br Cu P2 -","- C168 H192 Br4 Cu4 P8 -","4","1","","Osawa, Masahisa; Hoshino, Mikio; Hashimoto, Masashi; Kawata, Isao; Igawa, Satoshi; Yashima, Masataka","Application of three-coordinate copper(i) complexes with halide ligands in organic light-emitting diodes that exhibit delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8369","8378","10.1039/c4dt02853h","","","0.7107","MoKα","","","0.0342","","","","0.0619","","","","","","0.979","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033435","19.3656","0.0002","15.9446","0.0001","14.0502","0.0001","90","","90","","90","","4338.38","0.06","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H28 Mn4 O12 S4 -","- C40 H28 Mn4 O12 S4 -","- C160 H112 Mn16 O48 S16 -","4","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0245","0.0239","","","0.0614","0.0619","","","","","","1.039","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033518","13.6388","0.0004","26.1547","0.0007","15.1412","0.0004","90","","90","","90","","5401.1","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[MnIII(OMe)(dpaq)](OTf)","","- C50 H46 F6 Mn2 N10 O10.73 S2 -","- C50 H46 F6 Mn2 N10 O10.73 S2 -","- C200 H184 F24 Mn8 N40 O42.92 S8 -","4","1","","Wijeratne, Gayan B.; Day, Victor W.; Jackson, Timothy A.","O-H bond oxidation by a monomeric Mn(III)-OMe complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3295","3306","10.1039/c4dt03546a","","","1.54178","CuKα","","0.0757","0.0748","","","0.2117","0.2131","","","","","","1.051","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033809","17.0284","0.0014","13.261","0.0008","17.1968","0.0009","90","","90","","90","","3883.3","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H46 Cd2 N6 O4 S4 -","- C24 H46 Cd2 N6 O4 S4 -","- C96 H184 Cd8 N24 O16 S16 -","4","1","","Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing","New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5095","5105","10.1039/c4dt03799e","","","0.71073","MoKα","","0.0399","0.0324","","","0.074","0.0805","","","","","","1.091","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033886","16.2567","0.0002","15.5814","0.0002","22.6734","0.0003","90","","90","","90","","5743.22","0.13","173","0.14","173","0.14","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C44 H64 Cl4 Co F6 Ir N O9 P5 Re -","- C44 H62 Cl4 Co F6 Ir N O9 P5 Re -","- C176 H248 Cl16 Co4 F24 Ir4 N4 O36 P20 Re4 -","4","1","","So, Yat-Ming; Chiu, Wai-Hang; Cheung, Wai-Man; Ng, Ho-Yuen; Lee, Hung Kay; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic rhenium nitrido complexes containing the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5479","5487","10.1039/c5dt00093a","","x-ray","0.7107","MoKα","","0.0301","0.0279","","","0.0572","0.0581","","","","","","1.014","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033944","12.0687","0.0001","33.9511","0.0005","14.9766","0.0002","90","","90","","90","","6136.6","0.13","200","2","200","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C58 H52 Cl4 F6 Ir O4 P5 Pt -","- C58 H52 Cl4 F6 Ir O4 P5 Pt -","- C232 H208 Cl16 F24 Ir4 O16 P20 Pt4 -","4","1","","Sterenberg, Brian T.; Wrigley, Christian T.; Puddephatt, Richard J.","Binuclear platinum-iridium complexes: synthesis, reactivity and luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5555","5568","10.1039/c4dt03966a","","","0.71073","MoKα","","0.0815","0.04","","","0.0831","0.0913","","","","","","0.929","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033974","16.3554","0.0007","22.6143","0.0007","4.2385","0.0002","90","","90","","90","","1567.68","0.11","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H9 Br Hg I2 N2 -","- C12 H9 Br Hg I2 N2 -","- C48 H36 Br4 Hg4 I8 N8 -","4","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0354","0.0296","","","0.0454","0.0487","","","","","","0.94","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033993","19.0086","0.0016","12.8494","0.001","43.849","0.003","90","","90","","90","","10710.1","1.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","tetraphenylphosphonium {1,3-bis-(2,6-diisopropylphenyl)-1,3,2-diazaphospholenium}-tricarbonyl ferrate(II)","","- C59 H68 Fe N2 O4.5 P2 -","- C59 H68 Fe N2 O4.5 P2 -","- C472 H544 Fe8 N16 O36 P16 -","8","2","","Stadelmann, B.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","An anionic phosphenium complex as an ambident nucleophile.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6023","6031","10.1039/c5dt00008d","","","0.71073","MoKα","","0.0952","0.0595","","","0.1068","0.1181","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034001","17.752","0.005","11.878","0.004","10.359","0.003","90","","90","","90","","2184.3","1.1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C72 H72 N16 O16 Zn4 -","4","1","","Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di","Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6052","6061","10.1039/c4dt03868a","","","0.71073","MoKα","","0.0723","0.0519","","","0.1368","0.1513","","","","","","1.026","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034005","17.096","0.004","13.638","0.004","10.336","0.003","90","","90","","90","","2409.9","1.1","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H17 N5 O7 Zn -","- C18 H17 N5 O7 Zn -","- C72 H68 N20 O28 Zn4 -","4","1","","Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di","Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6052","6061","10.1039/c4dt03868a","","","0.71073","MoKα","","0.1133","0.0583","","","0.1107","0.1254","","","","","","0.845","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034138","27.9281","0.0012","9.3091","0.0004","8.0289","0.0003","90","","90","","90","","2087.4","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H21 B9 O4 S3 W -","- C10 H21 B9 O4 S3 W -","- C40 H84 B36 O16 S12 W4 -","4","1","","Timofeev, Sergey V.; Zhidkova, Olga B.; Mosolova, Elena M.; Sivaev, Igor B.; Godovikov, Ivan A.; Suponitsky, Kyrill Yu; Starikova, Zoya A.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with charge-compensated nido-carboranyl thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6449","6456","10.1039/c5dt00176e","","","0.71073","MoKα","","0.0214","0.0178","","","0.0357","0.0367","","","","","","0.984","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034206","29.144","0.006","10.411","0.002","14.792","0.003","90","","90","","90","","4488.2","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H28 Co2 N10 O10 -","- C40 H28 Co2 N10 O10 -","- C160 H112 Co8 N40 O40 -","4","1","","Huang, Fu-Ping; Yang, Cheng; Li, Hai-Ye; Yao, Peng-Fei; Qin, Xiao-Huan; Yan, Shi-Ping; Kurmoo, Mohamedally","Solvent effects on the structures and magnetic properties of two doubly interpenetrated metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6593","6599","10.1039/c4dt04006f","","","0.71073","MoKα","","0.1679","0.1057","","","0.1932","0.223","","","","","","1.015","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034216","11.6599","0.0003","10.9336","0.0003","11.7669","0.0003","90","","90","","90","","1500.1","0.07","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H12 Mn2 N O12 P -","- C7 H7 Mn2 N O12 P -","- C28 H28 Mn8 N4 O48 P4 -","4","1","","Luan, Lindong; Li, Jing; Yin, Changzhen; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new inorganic-organic hybrid solids with finely tuned manganese oxalate structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5974","5977","10.1039/c5dt00431d","","","1.54184","CuKα","","0.0587","0.0572","","","0.1414","0.1438","","","","","","1.066","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034363","21.0992","0.0011","8.055","0.0004","12.9164","0.0007","90","","90","","90","","2195.2","0.2","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H29 Ge N3 -","- C25 H29 Ge N3 -","- C100 H116 Ge4 N12 -","4","1","","Matioszek, D.; Ojo, W.-S.; Cornejo, A.; Katir, N.; El Ezzi, M.; Le Troedec, M.; Martinez, H.; Gornitzka, H.; Castel, A.; Nayral, C.; Delpech, F.","From rational design of organometallic precursors to optimized synthesis of core/shell Ge/GeO2 nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7242","7250","10.1039/c5dt00392j","","","0.71073","MoKα","","0.0299","0.0244","","","0.0563","0.0583","","","","","","1.043","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034581","20.1401","0.0007","9.5333","0.0003","10.0967","0.0003","90","","90","","90","","1938.58","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H28 O P Ti -","- C22 H28 O P Ti -","- C88 H112 O4 P4 Ti4 -","4","1","","Klahn, Marcus; Hollmann, Dirk; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","Titanocene(iii) complexes with 2-phosphinoaryloxide ligands for the catalytic dehydrogenation of dimethylamine borane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12103","12111","10.1039/c5dt00275c","","","0.71073","MoKα","","0.045","0.0354","","","0.0802","0.0853","","","","","","1.029","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034631","16.8371","0.0011","10.7293","0.0006","9.0448","0.0006","90","","90","","90","","1633.95","0.18","100","2","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","2b","","- C15 H17 I N4 O2 -","- C15 H17 I N4 O2 -","- C60 H68 I4 N16 O8 -","4","1","","Mohamed, Heba A.; Lake, Benjamin R. M.; Laing, Thomas; Phillips, Roger M.; Willans, Charlotte E.","Synthesis and anticancer activity of silver(i)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7563","7569","10.1039/c4dt03679d","","","1.54184","CuKα","","0.0921","0.0491","","","0.1024","0.1211","","","","","","1.017","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034643","22.153","0.007","16.412","0.005","22.139","0.007","90","","90","","90","","8049","4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H122 N6 O Si4 Zn4 -","- C70 H116 Hy6 N6 O Si4 Zn4 -","- C280 H464 Hy24 N24 O4 Si16 Zn16 -","4","1","","Roberts, Andrew J.; Clegg, William; Kennedy, Alan R.; Probert, Michael R.; Robertson, Stuart D.; Hevia, Eva","Two alternative approaches to access mixed hydride-amido zinc complexes: synthetic, structural and solution implications.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8169","8177","10.1039/c5dt00312a","","","0.6889","synchrotron","","0.0787","0.0629","","","0.1666","0.1767","","","","","","1.053","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034696","10.3689","0.0003","18.6571","0.0007","8.4223","0.0003","90","","90","","90","","1629.32","0.1","123","","123","","","","","","","","see text","6","P n a 21","P 2c -2n","33","","","","- C13 H12 F5 N2 O4 Re -","- C13 H12 F5 N2 O4 Re -","- C52 H48 F20 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0442","0.0287","","","0.0441","0.0478","","","","","","0.974","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034774","9.48","0.006","18.791","0.012","15.689","0.01","90","","90","","90","","2795","3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H44 N2 Sn -","- C28 H44 N2 Sn -","- C112 H176 N8 Sn4 -","4","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0995","0.0503","","","0.0752","0.0863","","","","","","1.036","","","","has coordinates","138680","2020-10-21","18:00:00",""
"7034950","28.044","0.002","9.6262","0.0007","8.2546","0.0006","90","","90","","90","","2228.4","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 Eu N O9 -","- C20 H20 Eu N O9 -","- C80 H80 Eu4 N4 O36 -","4","1","","Wang, Xin; Zhao, Jie; Zhao, Yan; Xu, Heng; Shen, Xuan; Zhu, Dun-Ru; Jing, Su","Three sra topological lanthanide-organic frameworks built from 2,2'-dimethoxy-4,4'-biphenyldicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9281","9288","10.1039/c5dt00602c","","","0.71073","MoKα","","0.0328","0.0255","","","0.0496","0.0519","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034951","28.017","0.003","9.6175","0.0009","8.2586","0.0007","90","","90","","90","","2225.3","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 Gd N O9 -","- C20 H20 Gd N O9 -","- C80 H80 Gd4 N4 O36 -","4","1","","Wang, Xin; Zhao, Jie; Zhao, Yan; Xu, Heng; Shen, Xuan; Zhu, Dun-Ru; Jing, Su","Three sra topological lanthanide-organic frameworks built from 2,2'-dimethoxy-4,4'-biphenyldicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9281","9288","10.1039/c5dt00602c","","","0.71073","MoKα","","0.0244","0.0207","","","0.0418","0.0431","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034952","27.951","0.004","9.6124","0.0013","8.1937","0.0011","90","","90","","90","","2201.5","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 Dy N O9 -","- C20 H20 Dy N O9 -","- C80 H80 Dy4 N4 O36 -","4","1","","Wang, Xin; Zhao, Jie; Zhao, Yan; Xu, Heng; Shen, Xuan; Zhu, Dun-Ru; Jing, Su","Three sra topological lanthanide-organic frameworks built from 2,2'-dimethoxy-4,4'-biphenyldicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9281","9288","10.1039/c5dt00602c","","","0.71073","MoKα","","0.0339","0.0251","","","0.0494","0.0521","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034955","22.5273","0.0004","8.11695","0.00015","14.1994","0.0002","90","","90","","90","","2596.4","0.08","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H40 N3 O P2 Rh -","- C22 H40 N3 O P2 Rh -","- C88 H160 N12 O4 P8 Rh4 -","4","1","","Wang, Yuan; Zheng, Bin; Pan, Yupeng; Pan, Chengling; He, Lipeng; Huang, Kuo-Wei","C-H and H-H bond activation via ligand dearomatization/rearomatization of a PN(3)P-rhodium(i) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15111","15115","10.1039/c5dt00787a","","","1.54184","CuKα","","0.0342","0.0314","","","0.0801","0.0835","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034982","15.8048","0.0005","18.8955","0.0005","7.3079","0.0002","90","","90","","90","","2182.43","0.11","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H16 Mo N O4 P -","- C26 H16 Mo N O4 P -","- C104 H64 Mo4 N4 O16 P4 -","4","1","","de Krom, Iris; Lutz, Martin; Müller, Christian","2-(2'-Pyridyl)-4,6-diphenylphosphinine versus 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N and N,N ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10304","10314","10.1039/c5dt01261a","","","0.71073","MoKα","","0.0184","0.0169","","","0.0439","0.0444","","","","","","1.069","","","","has coordinates","138604","2020-10-21","18:00:00",""
"7034983","15.7856","0.0004","18.8326","0.0005","7.2886","0.0002","90","","90","","90","","2166.78","0.1","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H16 N O4 P W -","- C26 H16 N O4 P W -","- C104 H64 N4 O16 P4 W4 -","4","1","","de Krom, Iris; Lutz, Martin; Müller, Christian","2-(2'-Pyridyl)-4,6-diphenylphosphinine versus 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N and N,N ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10304","10314","10.1039/c5dt01261a","","","0.71073","MoKα","","0.0114","0.0108","","","0.0275","0.0278","","","","","","1.06","","","","has coordinates","138604","2020-10-21","18:00:00",""
"7035036","9.1171","0.0008","19.3834","0.0013","13.2464","0.0009","90","","90","","90","","2340.9","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H33 B11 -","- C20 H33 B11 -","- C80 H132 B44 -","4","1","","Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Rendina, Louis M.; Low, Paul J.; Weber, Lothar; Fox, Mark A.","Syntheses and reductions of C-dimesitylboryl-1,2-dicarba-closo-dodecaboranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9766","9781","10.1039/c5dt00758e","","","1.54178","CuKα","","0.0376","0.0358","","","0.0927","0.0944","","","","","","1.052","","","","has coordinates","138691","2020-10-21","18:00:00",""
"7035053","16.0522","0.0006","14.3181","0.0006","4.6148","0.0003","90","","90","","90","","1060.65","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H10 Br Cl -","- C13 H10 Br Cl -","- C52 H40 Br4 Cl4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","1.54178","CuKα","","0.0505","0.0363","","","0.0809","0.0867","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035055","18.941","0.0007","17.6865","0.0006","5.6269","0.0002","90","","90","","90","","1885.01","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H22 Br O2 P -","- C22 H22 Br O2 P -","- C88 H88 Br4 O8 P4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0289","0.0262","","","0.0615","0.0629","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035165","8.9091","0.0001","30.6079","0.0004","10.6845","0.0001","90","","90","","90","","2913.54","0.06","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H37 Br2 N5 Pd -","- C27 H37 Br2 N5 Pd -","- C108 H148 Br8 N20 Pd4 -","4","1","","McNeill, Samantha M.; Preston, Dan; Lewis, James E. M.; Robert, Anja; Knerr-Rupp, Katrin; Graham, Danyon O.; Wright, James R.; Giles, Gregory I.; Crowley, James D.","Biologically active [Pd2L4](4+) quadruply-stranded helicates: stability and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11129","11136","10.1039/c5dt01259g","","","1.54184","CuKα","","0.0276","0.0268","","","0.0702","0.0708","","","","","","1.025","","","","has coordinates","143598","2020-10-21","18:00:00",""
"7035166","9.1029","0.0001","30.301","0.0004","10.3398","0.0001","90","","90","","90","","2852","0.06","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H35 Br2 N5 O2 Pd -","- C26 H35 Br2 N5 O2 Pd -","- C104 H140 Br8 N20 O8 Pd4 -","4","1","","McNeill, Samantha M.; Preston, Dan; Lewis, James E. M.; Robert, Anja; Knerr-Rupp, Katrin; Graham, Danyon O.; Wright, James R.; Giles, Gregory I.; Crowley, James D.","Biologically active [Pd2L4](4+) quadruply-stranded helicates: stability and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11129","11136","10.1039/c5dt01259g","","","1.54184","CuKα","","0.036","0.0347","","","0.0874","0.088","","","","","","1.052","","","","has coordinates","143598","2020-10-21","18:00:00",""
"7035168","8.9759","0.0002","29.9396","0.0006","11.4183","0.0003","90","","90","","90","","3068.5","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H33 Br2 Cl2 N5 Pd -","- C29 H33 Br2 Cl2 N5 Pd -","- C116 H132 Br8 Cl8 N20 Pd4 -","4","1","","McNeill, Samantha M.; Preston, Dan; Lewis, James E. M.; Robert, Anja; Knerr-Rupp, Katrin; Graham, Danyon O.; Wright, James R.; Giles, Gregory I.; Crowley, James D.","Biologically active [Pd2L4](4+) quadruply-stranded helicates: stability and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11129","11136","10.1039/c5dt01259g","","","1.54184","CuKα","","0.0341","0.0326","","","0.0796","0.0805","","","","","","1.102","","","","has coordinates","143598","2020-10-21","18:00:00",""
"7035211","17.0309","0.001","23.5362","0.0014","12.0454","0.0007","90","","90","","90","","4828.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H70 Au4 N6 P4 -","- C40 H70 Au4 N6 P4 -","- C160 H280 Au16 N24 P16 -","4","1","","Yang, Xi; Wang, Shanshan; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Organogold oligomers: exploiting iClick and aurophilic cluster formation to prepare solution stable Au4 repeating units.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11437","11443","10.1039/c5dt00282f","","","0.71073","MoKα","","0.0227","0.0195","","","0.0428","0.0435","","","","","","0.918","","","","has coordinates,has disorder","143537","2020-10-21","18:00:00",""
"7035273","6.8568","0.0002","9.3906","0.0002","10.7307","0.0003","90","","90","","90","","690.94","0.03","150","","150","","","","","","","","synthesised","5","P n a 21","P 2c -2n","33","","","","- C3 H7 Mn N O6 -","- C3 H7 Mn N O6 -","- C12 H28 Mn4 N4 O24 -","4","1","","Lawler, James M. M.; Manuel, Pascal; Thompson, Amber L.; Saines, Paul J.","Probing ferroic transitions in a multiferroic framework family: a neutron diffraction study of the ammonium transition metal formates.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11613","11620","10.1039/c5dt00733j","","","0.71073","MoKα","","0.0327","0.0275","","0.0641","0.0617","0.0641","","","","","","0.9596","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035372","26.9844","0.0004","17.4241","0.0002","15.8536","0.0002","90","","90","","90","","7454.03","0.17","123","0.1","123","0.1","","","","","","","synthesis as described","10","P n a 21","P 2c -2n","33","","","","- C67 H56 B Co3 F24 Mo N O7 P S -","- C67 H56 B Co3 F24 Mo N O7 P S -","- C268 H224 B4 Co12 F96 Mo4 N4 O28 P4 S4 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.","P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1937","1952","10.1039/c5dt01450f","","x-ray","1.54184","CuKα","","0.0962","0.0799","","","0.214","0.2309","","","","","","1.05","","","","has coordinates,has disorder","176079","2020-10-21","18:00:00",""
"7035493","15.727","0.009","13.996","0.007","15.894","0.009","90","","90","","90","","3499","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H54 N2 O2 Zn2 -","- C40 H54 N2 O2 Zn2 -","- C160 H216 N8 O8 Zn8 -","4","1","","Jędrzkiewicz, D; Ejfler, J.; Gulia, N.; John, Ł; Szafert, S.","Designing ancillary ligands for heteroleptic/homoleptic zinc complex formation: synthesis, structures and application in ROP of lactides.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13700","13715","10.1039/c5dt01553g","","","0.71073","MoKα","","0.1202","0.0663","","","0.142","0.1583","","","","","","0.894","","","","has coordinates","153150","2020-10-21","18:00:00",""
"7035509","6.8864","0.0006","19.4648","0.0016","9.6124","0.0008","90","","90","","90","","1288.47","0.19","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","1","","Yu, Changjiang; Hao, Erhong; Li, Tingting; Wang, Jun; Sheng, Wanle; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Dipyrrolylquinoxaline difluoroborates with intense red solid-state fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13897","13905","10.1039/c5dt02012c","","","0.71073","MoKα","","0.0404","0.0357","","","0.0911","0.095","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035766","8.8108","0.0003","31.9395","0.0009","27.7375","0.0008","90","","90","","90","","7805.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","NiHttfasbz","","","- C24 H19 F3 N4 Ni S5 -","- C24 H19 F3 N4 Ni S5 -","- C288 H228 F36 N48 Ni12 S60 -","12","3","","Wise, Catherine F.; Liu, Dan; Mayer, Kathryn J.; Crossland, Patrick M.; Hartley, Carolyn L.; McNamara, William R.","A nickel complex of a conjugated bis-dithiocarbazate Schiff base for the photocatalytic production of hydrogen.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14265","14271","10.1039/c5dt02042e","","","1.54178","CuKα","","0.0224","0.0218","","","0.0547","0.055","","","","","","1.051","","","","has coordinates","153226","2020-10-21","18:00:00",""
"7035868","31.0451","0.0007","8.9768","0.0002","14.4306","0.0003","90","","90","","90","","4021.6","0.15","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H48 F5 N4 P Ru -","- C42 H48 F5 N4 P Ru -","- C168 H192 F20 N16 P4 Ru4 -","4","1","","Cybulski, Mateusz K.; Riddlestone, Ian M.; Mahon, Mary F.; Woodman, Timothy J.; Whittlesey, Michael K.","Stoichiometric and catalytic C-F bond activation by the trans-dihydride NHC complex [Ru(IEt2Me2)2(PPh3)2H2] (IEt2Me2 = 1,3-diethyl-4,5-dimethylimidazol-2-ylidene).","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19597","19605","10.1039/c5dt01996f","","","0.71073","MoKα","","0.0502","0.0402","","","0.0877","0.0942","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035945","25.2035","0.0005","14.6551","0.0002","17.4656","0.0004","90","","90","","90","","6451.1","0.2","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H68 Cl9 N11 O6 P3 Tb -","- C48 H68 Cl9 N11 O6 P3 Tb -","- C192 H272 Cl36 N44 O24 P12 Tb4 -","4","1","","Litsis, Olena O.; Ovchynnikov, Vladimir A.; Scherbatskii, Vasyl P.; Nedilko, Sergiy G.; Sliva, Tatiana Yu; Dyakonenko, Viktoriya V.; Shishkin, Oleg V.; Davydov, Valentine I.; Gawryszewska, Paula; Amirkhanov, Vladimir M.","Lanthanide mixed-ligand complexes of the [Ln(CAPh)3(Phen)] and [LaxEu1-x(CAPh)3(Phen)] (CAPh = carbacylamidophosphate) type. A comparative study of their spectral properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15508","15522","10.1039/c5dt02557e","","","0.71073","MoKα","","0.059","0.0404","","","0.0677","0.073","","","","","","1.024","","","","has coordinates,has disorder","161300","2020-10-21","18:00:00",""
"7036193","14.997","0.007","15.362","0.007","17.487","0.008","90","","90","","90","","4029","3","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[Cu2(BmmMe)3](BF4)2","","- C27 H36 B2 Cu2 F8 N12 S6 -","- C27 H36 B2 Cu2 F8 N12 S6 -","- C108 H144 B8 Cu8 F32 N48 S24 -","4","1","","Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L.","Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16313","16324","10.1039/c5dt02232k","","","0.71073","MoKα","","0.0682","0.0527","","","0.1267","0.1371","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036211","8.531","0.004","9.714","0.004","15.674","0.006","90","","90","","90","","1298.9","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 B F2 N3 -","- C14 H12 B F2 N3 -","- C56 H48 B4 F8 N12 -","4","1","","Umasekhar, Booruga; Ganapathi, Emandi; Chatterjee, Tamal; Ravikanth, Mangalampalli","Synthesis, structure, and spectral, electrochemical and fluoride sensing properties of meso-pyrrolyl boron dipyrromethene.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16516","16527","10.1039/c5dt02634b","","","0.7107","MoKα","","0.063","0.0543","","","0.1345","0.1452","","","","","","1.02","","","","has coordinates","161547","2020-10-21","18:00:00",""
"7036349","24.4349","0.0011","8.1832","0.0004","6.3091","0.0003","90","","90","","90","","1261.54","0.1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H18 N O P -","- C13 H18 N O P -","- C52 H72 N4 O4 P4 -","4","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.0404","0.0345","","","0.0772","0.0804","","","","","","1.036","","","","has coordinates","161211","2020-10-21","18:00:00",""
"7036547","21.3866","0.0005","18.6641","0.0004","29.515","0.002","90","","90","","90","","11781.3","0.9","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","(NEt4)2[W(S2C6H3CONH-t-Bu)3]-H2O","","- C49 H81 N5 O4 S6 W -","- C49 H79 N5 O4 S6 W -","- C392 H632 N40 O32 S48 W8 -","8","2","","Okamura, A Taka-Aki; Omi, Yui; Fujii, Manami; Tatsumi, Miki; Onitsuka, Kiyotaka","Significant differences of monooxotungsten(iv) and dioxotungsten(vi) benzenedithiolates containing two intramolecular NHS hydrogen bonds from molybdenum analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18090","18100","10.1039/c5dt03278d","","","0.71075","MoKα","","0.1055","0.0781","","","0.1415","0.1503","","","","","","1.114","","","","has coordinates","171187","2020-10-21","18:00:00",""
"7036777","18.4033","0.0017","23.17","0.002","10.0258","0.0009","90","","90","","90","","4275","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","ONbODipp3Py","","- C45 H64 N Nb O5 -","- C45 H64 N Nb O5 -","- C180 H256 N4 Nb4 O20 -","4","1","","Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C.","Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1891","1895","10.1039/c5dt03383g","","","0.71073","MoKα","","0.0614","0.0395","","","0.0801","0.0901","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036837","19.4837","0.0007","11.1499","0.0004","24.6713","0.0009","90","","90","","90","","5359.6","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[Cu(PPh3)tpym]BPh4","","- C60 H50 B Cl6 Cu N3 P -","- C60 H50 B Cl6 Cu N3 P -","- C240 H200 B4 Cl24 Cu4 N12 P4 -","4","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Yersin, Hartmut; Sundermeyer, Jörg","A new class of deep-blue emitting Cu(i) compounds - effects of counter ions on the emission behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20045","20055","10.1039/c5dt03065j","","","0.71069","MoKα","","0.0454","0.0294","","","0.0569","0.0662","","","","","","1.069","","","","has coordinates","171116","2020-10-21","18:00:00",""
"7036857","16.5101","0.0006","13.528","0.0004","12.2737","0.0004","90","","90","","90","","2741.31","0.16","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","aqua[N^1^,N^3^,2-trimethyl-2-(pyridin-2-yl)-N^1^,N^3^-bis(pyridin- 2-ylmethyl)propane-1,3-diamine]nickel(II) perchlorate","","- C23 H31 Cl2 N5 Ni O9 -","- C23 H31 Cl2 N5 Ni O9 -","- C92 H124 Cl8 N20 Ni4 O36 -","4","1","","Kroll, Nicole; Theilacker, Kolja; Schoknecht, Marc; Baabe, Dirk; Wiedemann, Dennis; Kaupp, Martin; Grohmann, Andreas; Hörner, Gerald","Controlled ligand distortion and its consequences for structure, symmetry, conformation and spin-state preferences of iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19232","19247","10.1039/c5dt02502h","","x-ray","0.71073","MoKα","","0.0356","0.0333","","","0.0742","0.0754","","","","","","1.057","","","","has coordinates,has disorder","171203","2020-10-21","18:00:00",""
"7036980","17.471","0.003","13.112","0.002","5.2955","0.0009","90","","90","","90","","1213.1","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H14 I N S -","- C11 H14 I N S -","- C44 H56 I4 N4 S4 -","4","1","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0733","0.0498","","","0.0946","0.1032","","","","","","1.143","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7036988","12.3705","0.0004","10.8698","0.0004","26.8207","0.0009","90","","90","","90","","3606.4","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H61 Mn N2 O4 -","- C36 H61 Mn N2 O4 -","- C144 H244 Mn4 N8 O16 -","4","1","","Daneshmand, Pargol; Schaper, Frank","Exploring the reactivity of manganese(iii) complexes with diphenolate-diamino ligands in rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20449","20458","10.1039/c5dt03756e","","x-ray","1.54178","CuKα","","0.0308","0.0299","","","0.0773","0.0779","","","","","","1.031","","","","has coordinates,has disorder","171258","2020-10-21","18:00:00",""
"7037035","24.407","0.0002","13.1021","0.0003","19.3701","0.0004","90","","90","","90","","6194.2","0.2","150","2","150","2","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C52 H90 Cl Li N2 O8 P3 W2 -","- C52 H90 Cl Li N2 O8 P3 W2 -","- C208 H360 Cl4 Li4 N8 O32 P12 W8 -","4","1","","Grubba, Rafał; Ordyszewska, Anna; Ponikiewski, Łukasz; Gudat, Dietrich; Pikies, Jerzy","An investigation on the chemistry of the R2P[double bond, length as m-dash]P ligand: reactions of a phosphanylphosphinidene complex of tungsten(vi) with electrophilic reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2172","2179","10.1039/c5dt03085d","","","0.71073","MoKα","","0.0453","0.0375","","","0.0896","0.0926","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037047","16.6781","0.0008","8.5263","0.0004","19.8071","0.0009","90","","90","","90","","2816.6","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H44 Cu Fe I P2 -","- C26 H44 Cu Fe I P2 -","- C104 H176 Cu4 Fe4 I4 P8 -","4","1","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","1,1'-Bis(di-tert-butylphosphino)ferrocene copper(i) complex catalyzed C-H activation and carboxylation of terminal alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20874","20882","10.1039/c5dt03794h","","","0.71073","MoKα","","0.043","0.0293","","","0.0452","0.0483","","","","","","0.988","","","","has coordinates","171141","2020-10-21","18:00:00",""
"7037099","7.087","0.005","17.669","0.005","17.793","0.005","90","0.005","90","0.005","90","0.005","2228","1.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H24 Cd N4 O8 -","- C18 H24 Cd N4 O8 -","- C72 H96 Cd4 N16 O32 -","4","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Halder, Arijit; Ghoshal, Debajyoti","Tuned synthesis of two coordination polymers of Cd(ii) using substituted bent 3-pyridyl linker and succinate: structures and their applications in anion exchange and sorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20999","21007","10.1039/c5dt03738g","","","0.71073","MoKα","","0.0227","0.0204","","","0.0564","0.0578","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037202","14.399","0.005","10.139","0.005","21.491","0.005","90","","90","","90","","3138","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl2 Ge N4 -","- C11 H24 Cl2 Ge N4 -","- C88 H192 Cl16 Ge8 N32 -","8","2","","Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian","Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20898","20905","10.1039/c5dt03941j","","","0.71075","MoKα","","0.1075","0.0608","","","0.1029","0.119","","","","","","1.025","","","","has coordinates","171156","2020-10-21","18:00:00",""
"7037242","16.951","0.004","22.374","0.006","13.224","0.003","90","","90","","90","","5015","2","93","","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H75 Cl4 Fe2 N3 O -","- C49 H75 Cl4 Fe2 N3 O -","- C196 H300 Cl16 Fe8 N12 O4 -","4","1","","Kawakami, Takafumi; Ito, Shingo; Nozaki, Kyoko","Iron-catalysed homo- and copolymerisation of propylene: steric influence of bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20745","20752","10.1039/c5dt03551a","","","0.71075","MoKα","","0.0779","0.0695","","","0.1094","0.113","","","","","","1.122","","","","has coordinates","171238","2020-10-21","18:00:00",""
"7037274","17.7285","0.001","15.1002","0.0008","9.8309","0.0005","90","","90","","90","","2631.8","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H34 B20 O Ru -","- C15 H34 B20 O Ru -","- C60 H136 B80 O4 Ru4 -","4","1","","Riley, Laura E.; Chan, Antony P. Y.; Taylor, James; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.; Sivaev, Igor B.","Unprecedented flexibility of the 1,1'-bis(o-carborane) ligand: catalytically-active species stabilised by B-agostic B-H⇀Ru interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1127","1137","10.1039/c5dt03417e","","","0.71073","MoKα","","0.0325","0.025","","","0.0513","0.0535","","","","","","1.014","","","","has coordinates","176046","2020-10-21","18:00:00",""
"7037353","13.104","0.004","28.519","0.009","13.023","0.004","90","","90","","90","","4867","3","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H50 Cl2 Mn2 N6 O18 -","- C36 H50 Cl2 Mn2 N6 O18 -","- C144 H200 Cl8 Mn8 N24 O72 -","4","1","","Álvarez, Celedonio M; García-Rodríguez, Raúl; Miguel, Daniel","Metallamacrocycle formation through dimerization of metal bioconjugates derived from amino acids and peptides.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","963","972","10.1039/c5dt01256b","","","0.71073","MoKα","","0.1123","0.0698","","","0.1808","0.2059","","","","","","0.975","","","","has coordinates,has disorder","176044","2020-10-21","18:00:00",""
"7037361","24.4651","0.0011","10.8289","0.0004","22.8846","0.001","90","","90","","90","","6062.8","0.4","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C59.8 H91.6 Mg N3 Na O4.7 Si -","- C59.8 H91.6 Mg N3 Na O4.7 Si -","- C239.2 H366.4 Mg4 N12 Na4 O18.8 Si4 -","4","1","","Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva","Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6175","6182","10.1039/c5dt04044b","","","0.71073","MoKα","","0.0922","0.067","","","0.1502","0.1677","","","","","","1.033","","","","has coordinates,has disorder","181732","2020-10-21","18:00:00",""
"7037391","16.212","0.011","7.772","0.005","13.389","0.009","90","","90","","90","","1687","1.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H20 Bi Cl3 O5 -","- C10 H20 Bi Cl3 O5 -","- C40 H80 Bi4 Cl12 O20 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0895","0.067","","","0.1686","0.1926","","","","","","1.064","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037440","22.491","0.002","24.236","0.002","10.5002","0.001","90","","90","","90","","5723.6","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H74 Cl6 N4 Si -","- C55 H74 Cl6 N4 Si -","- C220 H296 Cl24 N16 Si4 -","4","1","","Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.","Abnormal carbene-silicon halide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5941","5944","10.1039/c5dt03894d","","","0.71073","MoKα","","0.0659","0.0499","","","0.1245","0.1365","","","","","","1.037","","","","has coordinates","181715","2020-10-21","18:00:00",""
"7037511","19.2113","0.0002","9.3627","0.0001","33.9828","0.0004","90","","90","","90","","6112.47","0.12","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H74 Cl6 Ge2 N2 O3 P2 -","- C58 H74 Cl6 Ge2 N2 O3 P2 -","- C232 H296 Cl24 Ge8 N8 O12 P8 -","4","1","","Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6259","6268","10.1039/c5dt03873a","","","1.54178","CuKα","","0.0297","0.0266","","","0.0579","0.0586","","","","","","0.989","","","","has coordinates,has disorder","181731","2020-10-21","18:00:00",""
"7037726","33.3454","0.001","16.4902","0.0005","49.2045","0.0016","90","","90","","90","","27056.2","1.5","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]]2[AgNO3]","","- C177 H316 Ag Cr16 F16 N5 O68 -","- C177 H316 Ag Cr16 F16 N5 O68 -","- C708 H1264 Ag4 Cr64 F64 N20 O272 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.","Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1638","1647","10.1039/c5dt04062k","","","0.7749","synchrotron","","0.1206","0.1062","","","0.2781","0.2891","","","","","","1.07","","","","has coordinates","176005","2020-10-21","18:00:00",""
"7037802","24.827","","8.592","","12.294","","90","","90","","90","","2622.48","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Mo O2 (S O4)","","- Mo O6 S -","- Mo O6 S -","- Mo24 O144 S24 -","24","6","","Christiansen, A.F.; Fjellvag, H.; Kjekshus, A.; Klewe, B.","Synthesis and characterization of molybdenum(VI) oxide sulfates and crystal structures of two polymorphs of Mo O2 (S O4)","Journal of the Chemical Society. Dalton Transactions","2001","2001","","806","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037812","29.225","0.005","14.528","0.003","27.19","0.005","90","","90","","90","","11544","4","291","2","291","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C92 H93 Cl12 O12 P3 Pt5 Sn6 -","- C92 H93 Cl12 O12 P3 Pt5 Sn6 -","- C368 H372 Cl48 O48 P12 Pt20 Sn24 -","4","1","","Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano","Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5001","5013","10.1039/c5dt04696c","","","0.71073","MoKα","","0.0886","0.0589","","","0.1303","0.1437","","","","","","1.009","","","","has coordinates","181657","2020-10-21","18:00:00",""
"7037865","16.0845","0.0013","10.5246","0.0009","6.5973","0.0006","90","","90","","90","","1116.81","0.17","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H11 I N2 Se -","- C9 H11 I N2 Se -","- C36 H44 I4 N8 Se4 -","4","1","","Lee, Lucia M.; Corless, Victoria B.; Tran, Michael; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Synthetic, structural, and computational investigations of N-alkyl benzo-2,1,3-selenadiazolium iodides and their supramolecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3285","3293","10.1039/c5dt04314j","","","0.71073","MoKα","","0.0276","0.0229","","","0.0419","0.0434","","","","","","1.009","","","","has coordinates","177825","2020-10-21","18:00:00",""
"7037941","21.9631","0.0006","27.7581","0.0008","17.7763","0.0005","90","","90","","90","","10837.4","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H49 Cl8 N P2 Pt -","- C27 H49 Cl7.9999 N P2 Pt -","- C324 H588 Cl95.9988 N12 P24 Pt12 -","12","3","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","","0.71073","MoKα","","0.0844","0.0558","","","0.1333","0.1549","","","","","","1.087","","","","has coordinates,has disorder","176097","2020-10-21","18:00:00",""
"7038205","15.19","0.01","17.546","0.012","20.226","0.011","90","","90","","90","","5391","6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H62 B2 Cl4 N2 -","- C63 H62 B2 Cl4 N2 -","- C252 H248 B8 Cl16 N8 -","4","1","","Yusuf, Mayyadah; Liu, Kanglei; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder","Luminescent organoboron ladder compounds via directed electrophilic aromatic C-H borylation.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4580","4587","10.1039/c5dt05077d","","","1.54178","CuKα","","0.0811","0.0749","","","0.2023","0.2102","","","","","","1.069","","","","has coordinates","181698","2020-10-21","18:00:00",""
"7038238","16.3142","0.0006","11.7106","0.0004","19.3881","0.0006","90","","90","","90","","3704.1","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H45 B Cl2 Cu N7 -","- C37 H45 B Cl2 Cu N7 -","- C148 H180 B4 Cl8 Cu4 N28 -","4","1","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.035","0.03","","","0.0765","0.0808","","","","","","1.044","","","","has coordinates","187145","2020-10-21","18:00:00",""
"7038402","16.7","0.003","11.503","0.002","10.836","0.002","90","","90","","90","","2081.6","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4,5-bis(N,N-dimethylaminemethylene)acridine hydrochloride","","- C20 H29 Cl2 N3 O -","- C20 H29 Cl2 N3 O -","- C80 H116 Cl8 N12 O4 -","4","1","","Visscher, A.; Bachmann, S.; Schnegelsberg, C.; Teuteberg, T.; Mata, R. A.; Stalke, D.","Highly selective and sensitive fluorescence detection of Zn(2+) and Cd(2+) ions by using an acridine sensor.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5689","5699","10.1039/c6dt00557h","","","1.54178","CuKα","","0.0193","0.0184","","","0.0433","0.0436","","","","","","1.04","","","","has coordinates","181648","2020-10-21","18:00:00",""
"7038478","21.077","0.002","20.1866","0.0018","8.899","0.0004","90","","90","","90","","3786.3","0.5","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H60 N O4 P3 W -","- C37 H60 N O4 P3 W -","- C148 H240 N4 O16 P12 W4 -","4","1","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","1.54184","CuKα","","0.0178","0.0175","","","0.0462","0.0464","","","","","","1.041","","","","has coordinates,has disorder","181643","2020-10-21","18:00:00",""
"7038479","20.9984","0.0005","20.2089","0.0004","8.90858","0.00017","90","","90","","90","","3780.4","0.14","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H60 N O5 P3 W -","- C37 H60 N O5 P3 W -","- C148 H240 N4 O20 P12 W4 -","4","1","","Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5536","5548","10.1039/c6dt00170j","","","1.54184","CuKα","","0.0489","0.043","","","0.1128","0.12","","","","","","1.051","","","","has coordinates","181643","2020-10-21","18:00:00",""
"7038496","15.4153","0.0006","11.6452","0.0005","22.13","0.001","90","","90","","90","","3972.7","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H54 Bi2 N4 Si2 -","- C38 H54 Bi2 N4 Si2 -","- C152 H216 Bi8 N16 Si8 -","4","1","","Hering-Junghans, Christian; Schulz, Axel; Thomas, Max; Villinger, Alexander","Synthesis of mono-, di-, and triaminobismuthanes and observation of C-C coupling of aromatic systems with bismuth(iii) chloride.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6053","6059","10.1039/c6dt00229c","","","0.71073","MoKα","","0.1081","0.0443","","","0.0586","0.0716","","","","","","1.005","","","","has coordinates","181736","2020-10-21","18:00:00",""
"7038551","51.6071","0.0004","19.7098","0.0002","14.211","0.0001","90","","90","","90","","14454.9","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C65 H82 B2 F24 N P2 Rh -","- C65 H82 B2 F24 N P2 Rh -","- C520 H656 B16 F192 N8 P16 Rh8 -","8","2","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.0548","0.0517","","","0.1291","0.1318","","","","","","0.867","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038816","7.633","0.0002","18.6828","0.0004","15.7103","0.0004","90","","90","","90","","2240.38","0.09","105","","105","","","","","","","","","6","P n a 21","P 2c -2n","33","BbF9","","","- C30 H21 B F2 N2 O -","- C30 H21 B F2 N2 O -","- C120 H84 B4 F8 N8 O4 -","4","1","","Bessette, André; Auvray, Thomas; Désilets, Denis; Hanan, Garry S.","Non-symmetric benzo[b]-fused BODIPYs as a versatile fluorophore platform reaching the NIR: a systematic study of the underlying structure-property relationship.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7589","7604","10.1039/c5dt04444h","","x-ray","1.34139","GaKα","","0.036","0.0304","","","0.0644","0.0664","","","","","","1.073","","","","has coordinates","182678","2020-10-21","18:00:00",""
"7039022","29.0011","0.0011","19.7482","0.0007","10.5468","0.0004","90","","90","","90","","6040.4","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H80 Cl2 Ge P Sn -","- C68 H80 Cl2 Ge P Sn -","- C272 H320 Cl8 Ge4 P4 Sn4 -","4","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.0304","0.0276","","","0.0623","0.0633","","","","","","1.072","","","","has coordinates,has disorder","185533","2020-10-21","18:00:00",""
"7039023","29.1761","0.001","19.7911","0.0007","10.5653","0.0003","90","","90","","90","","6100.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C68 H79 Cl2 P Sn2 -","- C68 H79 Cl2 P Sn2 -","- C272 H316 Cl8 P4 Sn8 -","4","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.0294","0.0257","","","0.0485","0.0494","","","","","","1.111","","","","has coordinates,has disorder","185533","2020-10-21","18:00:00",""
"7039316","14.826","0.0006","10.263","0.0007","11.3191","0.0012","90","","90","","90","","1722.3","0.2","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H24 Cl Ge N2 P -","- C14 H24 Cl Ge N2 P -","- C56 H96 Cl4 Ge4 N8 P4 -","4","1","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0311","0.0259","","","0.0541","0.0578","","","","","","1.098","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039541","18.894","0.004","13.578","0.003","14.4","0.003","90","","90","","90","","3694.2","1.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(2,9-dimesityl-1,10-phenanthroline)(1,10-phenanthroline)copper(I) hexafluorophosphate","","- C42 H36 Cu F6 N4 P -","- C42 H36 Cu F6 N4 P -","- C168 H144 Cu4 F24 N16 P4 -","4","1","","Kohler, Lars; Hayes, Dugan; Hong, Jiyun; Carter, Tyler J.; Shelby, Megan L.; Fransted, Kelly A.; Chen, Lin X.; Mulfort, Karen L.","Synthesis, structure, ultrafast kinetics, and light-induced dynamics of CuHETPHEN chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9871","9883","10.1039/c6dt00324a","","","0.71073","MoKα","","0.0906","0.0766","","","0.1938","0.2028","","","","","","1.035","","","","has coordinates,has disorder","183517","2020-10-21","18:00:00",""
"7039695","22.107","0.0004","11.4122","0.0002","7.9006","0.0001","90","","90","","90","","1993.24","0.06","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H23 Cl O2 Ru S2 -","- C20 H23 Cl O2 Ru S2 -","- C80 H92 Cl4 O8 Ru4 S8 -","4","1","","Hildebrandt, Jana; Görls, Helmar; Häfner, Norman; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Weigand, Wolfgang; Merlino, Antonello","Unusual mode of protein binding by a cytotoxic π-arene ruthenium(ii) piano-stool compound containing an O,S-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12283","12287","10.1039/c6dt02380k","","","0.71073","MoKα","","0.0151","0.0149","","","0.0362","0.0364","","","","","","1.07","","","","has coordinates","185458","2020-10-21","18:00:00",""
"7039701","15.749","0.002","13.5061","0.0018","25.243","0.004","90","","90","","90","","5369.4","1.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H24 Cl Cu N4 O4 S2 -","- C26 H24 Cl Cu N4 O4 S2 -","- C208 H192 Cl8 Cu8 N32 O32 S16 -","8","2","","Maji, Ram Chandra; Das, Partha Pratim; Mishra, Saikat; Bhandari, Anirban; Maji, Milan; Patra, Apurba K.","Electron transfer mechanism of catalytic superoxide dismutation via Cu(ii/i) complexes: evidence of cupric-superoxo/-hydroperoxo species.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11898","11910","10.1039/c6dt02220k","","","0.71073","MoKα","","0.1075","0.0602","","","0.1402","0.1709","","","","","","0.902","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7039845","25.078","0.005","25.503","0.005","11.489","0.002","90","","90","","90","","7348","2","180.15","","180.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H78 Er N17 O -","- C84 H78 Er N17 O -","- C336 H312 Er4 N68 O4 -","4","1","","Bonizzoni, C.; Ghirri, A.; Bader, K.; van Slageren, J.; Perfetti, M.; Sorace, L.; Lan, Y.; Fuhr, O.; Ruben, M.; Affronte, M.","Coupling molecular spin centers to microwave planar resonators: towards integration of molecular qubits in quantum circuits.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16596","16603","10.1039/c6dt01953f","","x-ray","0.71073","MoKα","","0.1069","0.0577","","","0.0859","0.0977","","","","","","0.892","","","","has coordinates,has disorder","188228","2020-10-21","18:00:00",""
"7040095","33.879","0.006","8.1426","0.0014","12.147","0.002","90","","90","","90","","3350.9","1","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H34 Cl2 Co N5 O11 -","- C33 H34 Cl2 Co N5 O11 -","- C132 H136 Cl8 Co4 N20 O44 -","4","1","","Singha Mahapatra, Tufan; Basak, Dipmalya; Chand, Santanu; Lengyel, Jeff; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis","Competitive coordination aggregation for V-shaped [Co3] and disc-like [Co7] complexes: synthesis, magnetic properties and catechol oxidase activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13576","13589","10.1039/c6dt02494g","","","0.71073","MoKα","","0.086","0.057","","","0.1403","0.1632","","","","","","0.808","","","","has coordinates","186398","2020-10-21","18:00:00",""
"7040171","16.4285","0.001","3.6906","0.0002","23.2854","0.0014","90","","90","","90","","1411.82","0.14","100","2","99.65","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 Cl2 Mn N6 -","- C12 H10 Cl2 Mn N6 -","- C48 H40 Cl8 Mn4 N24 -","4","1","","Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus","Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10609","10619","10.1039/c6dt01597b","","","0.71073","MoKα","","0.0452","0.0345","","","0.0746","0.0789","","","","","","1.069","","","","has coordinates","185055","2020-10-21","18:00:00",""
"7040348","19.311","0.002","18.4966","0.0015","10.3114","0.0007","90","","90","","90","","3683.1","0.5","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H33 Ag I O P3 -","- C42 H33 Ag I O P3 -","- C168 H132 Ag4 I4 O4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.028","0.0248","","","0.0601","0.0617","","","","","","1.078","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040387","20.841","0.003","8.535","0.001","39.946","0.006","90","","90","","90","","7105.5","1.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H54 Cl4 Fe2 N20 O17 -","- C68 H54 Cl4 Fe2 N20 O17 -","- C272 H216 Cl16 Fe8 N80 O68 -","4","1","","Bartual-Murgui, C; Vela, S.; Roubeau, O.; Aromí, G","Designed intramolecular blocking of the spin crossover of an Fe(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14058","14062","10.1039/c6dt03047e","","","0.71073","MoKα","","0.1033","0.078","","","0.1749","0.187","","","","","","1.112","","","","has coordinates,has disorder","188145","2020-10-21","18:00:00",""
"7040552","54.393","0.003","8.1444","0.0004","9.4966","0.0004","90","","90","","90","","4207","0.4","150","","150","","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C14 H9 Fe N O2 S2 -","- C14 H9 Fe N O2 S2 -","- C168 H108 Fe12 N12 O24 S24 -","12","3","","Ramalakshmi, Rongala; Maheswari, K.; Sharmila, Dudekula; Paul, Anamika; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Reactivity of cyclopentadienyl transition metal(ii) complexes with borate ligands: structural characterization of the toluene-activated molybdenum complex [Cp*Mo(CO)2(η(3)-CH2C6H5)].","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16317","16324","10.1039/c6dt02641a","","x-ray","0.71073","MoKα","","0.0747","0.0717","","","0.1761","0.1777","","","","","","1.133","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7040595","14.4104","0.0002","17.1226","0.0002","9.1952","0.0001","90","","90","","90","","2268.86","0.05","130","2","130","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H26 Cl F6 N2 O2 P Ru -","- C19 H26 Cl F6 N2 O2 P Ru -","- C76 H104 Cl4 F24 N8 O8 P4 Ru4 -","4","1","","Richter, Stefan; Singh, Sushma; Draca, Dijana; Kate, Anup; Kumbhar, Anupa; Kumbhar, Avinash S.; Maksimovic-Ivanic, Danijela; Mijatovic, Sanja; Lönnecke, Peter; Hey-Hawkins, Evamarie","Antiproliferative activity of ruthenium(ii) arene complexes with mono- and bidentate pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13114","13125","10.1039/c6dt01782g","","x-ray","0.71073","MoKα","","0.0351","0.0309","","","0.0668","0.0689","","","","","","1.043","","","","has coordinates,has disorder","186303","2020-10-21","18:00:00",""
"7040615","40.6211","0.0002","14.722","0.0001","34.9798","0.0003","90","","90","","90","","20918.8","0.3","120","2","120","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C125 H71 Ag3 B4 Cl2 Co4 N22 O19 -","- C125 H71 Ag3 B4 Cl2 Co4 N22 O19 -","- C500 H284 Ag12 B16 Cl8 Co16 N88 O76 -","4","1","","Marmier, Mathieu; Cecot, Giacomo; Vologzhanina, Anna V.; Bila, José L; Zivkovic, Ivica; Ronnow, Henrik M.; Nafradi, Balint; Solari, Euro; Pattison, Philip; Scopelliti, Rosario; Severin, Kay","Dinuclear clathrochelate complexes with pendent cyano groups as metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15507","15516","10.1039/c6dt02758j","","x-ray","0.6971","synchrotron","","0.0947","0.0877","","","0.2011","0.2042","","","","","","1.065","","","","has coordinates","188132","2020-10-21","18:00:00",""
"7040808","17.2349","0.0013","14.0856","0.0009","17.5383","0.0013","90","","90","","90","","4257.7","0.5","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H52 Cl3 Fe N2 P -","- C45 H52 Cl3 Fe N2 P -","- C180 H208 Cl12 Fe4 N8 P4 -","4","1","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.0542","0.0524","","","0.1474","0.1528","","","","","","1.163","","","","has coordinates","190178","2020-10-21","18:00:00",""
"7040809","17.4631","0.0009","14.2501","0.0005","17.9938","0.001","90","","90","","90","","4477.8","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H52 Br3 Fe N2 P -","- C45 H52 Br3 Fe N2 P -","- C180 H208 Br12 Fe4 N8 P4 -","4","1","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.087","0.054","","","0.1179","0.1347","","","","","","1.013","","","","has coordinates,has disorder","190178","2020-10-21","18:00:00",""
"7040863","14.9882","0.0012","15.329","0.004","14.0635","0.0018","90","","90","","90","","3231.1","1","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H28 Cd I2 N10 O4 -","- C28 H28 Cd I2 N10 O4 -","- C112 H112 Cd4 I8 N40 O16 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0594","0.0404","","","0.0995","0.1149","","","","","","0.996","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040864","15.031","0.005","15.388","0.005","14.032","0.005","90","","90","","90","","3245.6","1.9","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H28 Hg I2 N10 O4 -","- C28 H28 Hg I2 N10 O4 -","- C112 H112 Hg4 I8 N40 O16 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0509","0.0352","","","0.0835","0.0936","","","","","","0.916","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040866","14.8978","0.0019","15.081","0.003","13.166","0.003","90","","90","","90","","2958.1","1","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H28 Cd Cl2 N10 O4 -","- C28 H28 Cd Cl2 N10 O4 -","- C112 H112 Cd4 Cl8 N40 O16 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0832","0.0487","","","0.1111","0.1288","","","","","","0.994","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040937","27.0594","0.0008","7.3493","0.0002","10.7309","0.0004","90","","90","","90","","2134.03","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Cl2 Fe O2 -","- C24 H28 Cl2 Fe O2 -","- C96 H112 Cl8 Fe4 O8 -","4","1","","Roemer, Max; Skelton, Brian W.; Piggott, Matthew J.; Koutsantonis, George A.","1,1'-Diacetyloctamethylferrocene: an overlooked and overdue synthon leading to the facile synthesis of an octamethylferrocenophane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18817","18821","10.1039/c6dt03820d","","x-ray","1.54184","CuKα","","0.0531","0.0445","","","0.1051","0.1101","","","","","","1.045","","","","has coordinates","190205","2020-10-21","18:00:00",""
"7041008","11.9253","0.0019","16.17","0.003","9.0441","0.0012","90","","90","","90","","1744","0.5","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H26 Cl2 N4 P2 Pd -","- C10 H26 Cl2 N4 P2 Pd -","- C40 H104 Cl8 N16 P8 Pd4 -","4","1","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0382","0.0349","","","0.0664","0.0675","","","","","","1.138","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7041009","16.534","0.002","12.1735","0.0015","9.4837","0.0012","90","","90","","90","","1908.8","0.4","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl2 I2 N4 P2 Pt -","- C8 H20 Cl2 I2 N4 P2 Pt -","- C32 H80 Cl8 I8 N16 P8 Pt4 -","4","1","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0336","0.032","","","0.065","0.0655","","","","","","1.114","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7041010","12.007","0.002","16.096","0.003","9.0774","0.0016","90","","90","","90","","1754.3","0.5","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H26 Cl2 N4 P2 Pt -","- C10 H26 Cl2 N4 P2 Pt -","- C40 H104 Cl8 N16 P8 Pt4 -","4","1","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0395","0.0336","","","0.0539","0.0555","","","","","","1.187","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7041025","53.8313","0.0008","13.75432","0.00014","22.3077","0.0002","90","","90","","90","","16516.9","0.3","99.9","0.5","99.9","0.5","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C74 H105 B2 Ce Co2 N2 O18.5 P6 -","- C74 H100 B2 Ce Co2 N2 O18.5 P6 -","- C592 H800 B16 Ce8 Co16 N16 O148 P48 -","8","2","","Au-Yeung, Ka-Chun; So, Yat-Ming; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Tetravalent cerium pseudohalide complexes supported by the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3]().","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18163","18170","10.1039/c6dt03740b","","x-ray","1.5418","CuKα","","0.0827","0.0576","","","0.1204","0.1304","","","","","","1.001","","","","has coordinates,has disorder","190162","2020-10-21","18:00:00",""
"7041255","21.2259","0.0004","17.237","0.0003","9.3165","0.0002","90","","90","","90","","3408.64","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 Cu2 N2 O8 -","- C28 H42 Cu2 N2 O8 -","- C112 H168 Cu8 N8 O32 -","4","1","","Lada, Zoi G.; Soto Beobide, Amaia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Voyiatzis, George A.; Turnbull, Mark M.; Perlepes, Spyros P.","A unique copper(ii)-assisted transformation of acetylacetone dioxime in acetone that leads to one-dimensional, quinoxaline-bridged coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","260","274","10.1039/c6dt03595g","","","1.54178","CuKα","","0.1094","0.0594","","","0.1224","0.1744","","","","","","1.133","","","","has coordinates","191674","2020-10-21","18:00:00",""
"7041388","20.7","0.02","10.259","0.011","16.853","0.016","90","","90","","90","","3579","6","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","Triphos(C)NiCl","Triphos(C)NiCl","","- C41 H39 Cl Ni P3 -","- C41 H39 Cl Ni P3 -","- C164 H156 Cl4 Ni4 P12 -","4","1","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","0.71075","MoKα","","0.075","0.055","","","0.1183","0.1412","","","","","","1.097","","","","has coordinates","191645","2020-10-21","18:00:00",""
"7041391","21.1905","0.0006","13.5221","0.0004","11.3801","0.0003","90","","90","","90","","3260.85","0.16","170","2","170","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H47 B2 F8 Ni O6 P5 -","- C15 H47 B2 F8 Ni O6 P5 -","- C60 H188 B8 F32 Ni4 O24 P20 -","4","1","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","0.71073","MoKα","","0.0538","0.0497","","","0.1347","0.1398","","","","","","1.069","","","","has coordinates,has disorder","191645","2020-10-21","18:00:00",""
"7041464","23.5043","0.0018","10.7865","0.0008","27.74","0.002","90","","90","","90","","7032.9","0.9","140","2","140.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H66 B2 N2 Nd2 Si2 -","- C64 H66 B2 N2 Nd2 Si2 -","- C256 H264 B8 N8 Nd8 Si8 -","4","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1218","1227","10.1039/c6dt04441g","","","0.71073","MoKα","","0.0862","0.0636","","","0.1509","0.1589","","","","","","1.065","","","","has coordinates","191600","2020-10-21","18:00:00",""
"7041498","9.1571","0.0007","13.7528","0.0013","8.6319","0.0008","90","","90","","90","","1087.06","0.17","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,2-di(pyridin-2-yl)-ethanone oxime","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0571","0.0551","","","0.162","0.1644","","","","","","1.103","","","","has coordinates","191624","2020-10-21","18:00:00",""
"7041549","11.4715","0.0002","11.6621","0.0002","21.5619","0.0005","90","","90","","90","","2884.59","0.1","100","","100.06","","","","","","","","","5","P n a 21","P 2c -2n","33","","MoO2(R-AMD)2 (AMD = N,N?-di-R-acetamidinate) R = cyclohexyl","","- C28 H50 Mo N4 O2 -","- C28 H50 Mo N4 O2 -","- C112 H200 Mo4 N16 O8 -","4","1","","Jurca, T.; Peters, A. W.; Mouat, A. R.; Farha, O. K.; Hupp, J. T.; Lohr, T. L.; Delferro, M.; Marks, T. J.","Second-generation hexavalent molybdenum oxo-amidinate precursors for atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1172","1178","10.1039/c6dt03952a","","","0.71073","MoKα","","0.0745","0.0491","","","0.1172","0.1336","","","","","","0.79","","","","has coordinates","191608","2020-10-21","18:00:00",""
"7041709","25.243","0.005","25.508","0.004","11.501","0.003","90","","90","","90","","7405","3","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tetra(n-butyl)ammonium bis(phthalocyaninato)samarate(III)] Methanole Solvate","","","- C81 H72 N17 O Sm -","- C81 H68 N17 O Sm -","- C324 H272 N68 O4 Sm4 -","4","1","","Rok, M.; Prytys, J. K.; Kinzhybalo, V.; Bator, G.","Flexible crystals of perovskite-like coordination polymers with a tunable and switchable organic guest: (CH3NH3)2[KFe(CN)6] and (CH3NH3)2[KCo(CN)6].","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2322","2331","10.1039/c6dt03915d","","","0.71069","MoKα","","0.0909","0.0471","","","0.1347","0.1514","","","","","","1.012","","","","has coordinates","193826","2020-10-21","18:00:00",""
"7041766","26.751","0.0003","15.13554","0.00018","22.5819","0.0003","90","","90","","90","","9143.2","0.19","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C84 H117 Cu6 I2 N10 O1.5 -","- C84 H117 Cu6 I2 N10 O1.5 -","- C336 H468 Cu24 I8 N40 O6 -","4","1","","Phanopoulos, Andreas; Warren, Mark; White, Andrew J. P.; Horton, Andrew; Crimmin, Mark R.","Isolation of an unusual [Cu6] nanocluster through sequential addition of copper(i) to a polynucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2077","2080","10.1039/c6dt04703c","","","1.54184","CuKα","","0.0532","0.042","","","0.0963","0.1059","","","","","","1.023","","","","has coordinates","193816","2020-10-21","18:00:00",""
"7041767","26.77","0.0005","15.1245","0.0003","22.514","0.0004","90","","90","","90","","9115.5","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C84 H117 Cu6 I2 N10 O1.5 -","- C84 H117 Cu6 I2 N10 O1.5 -","- C336 H468 Cu24 I8 N40 O6 -","4","1","","Phanopoulos, Andreas; Warren, Mark; White, Andrew J. P.; Horton, Andrew; Crimmin, Mark R.","Isolation of an unusual [Cu6] nanocluster through sequential addition of copper(i) to a polynucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2077","2080","10.1039/c6dt04703c","","","0.71073","MoKα","","0.0448","0.0345","","","0.0789","0.0854","","","","","","1.052","","","","has coordinates,has disorder","193816","2020-10-21","18:00:00",""
"7041793","20.8339","0.0008","12.4463","0.0005","20.9452","0.0008","90","","90","","90","","5431.2","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C57 H56 B10 N P3 Pt S2 -","- C57 H56 B10 N P3 Pt S2 -","- C228 H224 B40 N4 P12 Pt4 S8 -","4","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.035","0.0282","","","0.062","0.064","","","","","","1.035","","","","has coordinates,has disorder","193788","2020-10-21","18:00:00",""
"7041859","17.7938","0.0014","10.9568","0.0009","20.0462","0.0015","90","","90","","90","","3908.3","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H34 N3 O2 S6 Yb -","- C43 H34 N3 O2 S6 Yb -","- C172 H136 N12 O8 S24 Yb4 -","4","1","","Ilichev, Vasily A.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Grishin, Ivan D.; Dmitriev, Artem V.; Lypenko, Dmitry A.; Maltsev, Eugeny I.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","LMCT facilitated room temperature phosphorescence and energy transfer in substituted thiophenolates of Gd and Yb.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3041","3050","10.1039/c6dt04519g","","","0.71073","MoKα","","0.0327","0.0255","","","0.0525","0.0549","","","","","","1.024","","","","has coordinates,has disorder","193844","2020-10-21","18:00:00",""
"7041868","19.844","0.0013","13.4298","0.0009","16.6234","0.0012","90","","90","","90","","4430.2","0.5","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C42 H30 Eu F9 N2 O10 P2 -","- C42 H30 Eu F9 N2 O10 P2 -","- C168 H120 Eu4 F36 N8 O40 P8 -","4","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Patsaeva, Svetlana V.; Korotkov, Leonid A.; Bakaev, Sergey; Reshetova, Marina D.; Lyssenko, Konstantin A.; Belova, Elena V.; Myasoedov, Boris F.","Hard-and-soft phosphinoxide receptors for f-element binding: structure and photophysical properties of europium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2238","2248","10.1039/c6dt04681a","","","0.71073","MoKα","","0.077","0.0458","","","0.0816","0.0934","","","","","","1.012","","","","has coordinates,has disorder","193822","2020-10-21","18:00:00",""
"7041952","14.368","0.002","20.759","0.002","12.3557","0.0009","90","","90","","90","","3685.3","0.7","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H51 N8 O3 -","- C39 H51 N8 O3 -","- C156 H204 N32 O12 -","4","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","0.71073","MoKα","","0.1097","0.0629","","","0.162","0.1853","","","","","","0.873","","","","has coordinates,has disorder","196406","2020-10-21","18:00:00",""
"7041956","14.4185","0.0018","20.046","0.003","12.574","0.002","90","","90","","90","","3634.3","0.9","170","2","170","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C39 H48 N8 -","- C39 H48 N8 -","- C156 H192 N32 -","4","1","","Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.","Modulation of the CO2 fixation in dinickel azacryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5680","5688","10.1039/c6dt04527h","","","0.71073","MoKα","","0.3006","0.0595","","","0.1318","0.1933","","","","","","0.54","","","","has coordinates,has disorder","196406","2020-10-21","18:00:00",""
"7042026","18.6641","0.0007","12.5049","0.0005","20.3898","0.0011","90","","90","","90","","4758.8","0.4","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H69 B11 N2 O -","- C46 H69 B11 N2 O -","- C184 H276 B44 N8 O4 -","4","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.0885","0.0604","","","0.1587","0.1824","","","","","","1.018","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042215","17.9819","0.0015","16.6637","0.0014","17.6944","0.0015","90","","90","","90","","5302","0.8","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C52 H40 B2 F11 Fe P3 Pd -","- C52 H40 B2 F11 Fe P3 Pd -","- C208 H160 B8 F44 Fe4 P12 Pd4 -","4","1","","Cabrera, K. D.; Rowland, A. T.; Szarko, J. M.; Diaconescu, P. L.; Bezpalko, M. W.; Kassel, W. S.; Nataro, C.","Monodentate phosphine substitution in [Pd(κ(3)-dppf)(PR3)][BF4]2 (dppf = 1,1'-bis(diphenylphosphino)ferrocene) compounds.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5702","5710","10.1039/c6dt04921d","","","0.71073","MoKα","","0.0419","0.0358","","0.095","0.0898","0.095","","","","","","0.9944","","","","has coordinates,has disorder","196396","2020-10-21","18:00:00",""
"7042669","20.367","0.005","18.976","0.005","7.46","0.0017","90","","90","","90","","2883.2","1.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H30.5 N5 O3.75 Pd Se -","- C32 H30.5 N5 O3.75 Pd Se -","- C128 H122 N20 O15 Pd4 Se4 -","4","1","","Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay","Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst","Dalton Trans.","2017","","","","","10.1039/C6DT04505G","","","0.71073","MoKα","","0.1123","0.0857","","","0.1789","0.1996","","","","","","1.049","","","","has coordinates,has disorder","195338","2020-10-21","18:00:00",""
"7042729","7.711","0.0015","18.586","0.004","20.928","0.004","90","","90","","90","","2999.3","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H6 Ag8 N8 O18 -","- C16 H6 Ag8 N8 O18 -","- C64 H24 Ag32 N32 O72 -","4","1","","Zhang, Tianle; Zhu, Jin-jin; Hu, Peng; Zhou, Ke-ke; Li, Bao","Silver(I)-organic frameworks constructed from silver(I) 3,6-pyrazyldiethynide and 3,8-1,10-phenanthrolyldiethynide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01061C","","","0.71073","MoKα","","0.0682","0.0636","","","0.1747","0.1826","","","","","","1.029","","","","has coordinates,has disorder","195614","2020-10-21","18:00:00",""
"7043052","21.253","0.0014","12.8028","0.0008","10.0452","0.0007","90","","90","","90","","2733.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C64 H58 Cl4 N4 O P2 Rh2 -","- C64 H58 Cl4 N4 O P2 Rh2 -","- C128 H116 Cl8 N8 O2 P4 Rh4 -","2","0.5","","Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar","Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01446E","","","0.71073","MoKα","","0.0519","0.0363","","","0.0703","0.0757","","","","","","1.014","","","","has coordinates,has disorder","196815","2020-10-21","18:00:00",""
"7043068","16.4196","0.0008","23.5939","0.0008","9.1101","0.0003","90","","90","","90","","3529.3","0.2","140","2","140","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H55 Fe Ge N O2 Si3 -","- C31 H55 Fe Ge N O2 Si3 -","- C124 H220 Fe4 Ge4 N4 O8 Si12 -","4","1","","Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi","An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01159H","","","0.71073","MoKα","","0.0521","0.0444","","","0.0951","0.0989","","","","","","1.069","","","","has coordinates","196920","2020-10-21","18:00:00",""
"7043215","41.799","0.003","6.3123","0.0006","10.6006","0.0006","90","","90","","90","","2796.9","0.4","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H33 Bi S3 Si3 -","- C21 H33 Bi S3 Si3 -","- C84 H132 Bi4 S12 Si12 -","4","1","","Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich","Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction","Dalton Trans.","2017","","","","","10.1039/C7DT01437F","","","0.71073","MoKα","","0.0628","0.0501","","","0.1116","0.1211","","","","","","1.032","","","","has coordinates","197192","2020-10-21","18:00:00",""
"7043415","20.7406","0.0008","14.4781","0.0005","19.8518","0.0007","90","","90","","90","","5961.2","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C73 H56 Br N2 O5 Re S2 -","- C73 H56 Br N2 O5 Re S2 -","- C292 H224 Br4 N8 O20 Re4 S8 -","4","1","","Beltrán, Tomás F.; Zaragoza, Guillermo; Delaude, Lionel","Synthesis and complexation of superbulky imidazolium-2-dithiocarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01889D","","x-ray","0.7107","MoKα","","0.082","0.0477","","","0.0813","0.0928","","","","","","0.981","","","","has coordinates","198128","2020-10-21","18:00:00",""
"7043443","21.3169","0.0008","10.968","0.0005","7.5747","0.0004","90","","90","","90","","1770.99","0.14","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl2 Cu N4 S2 -","- C16 H12 Cl2 Cu N4 S2 -","- C64 H48 Cl8 Cu4 N16 S8 -","4","1","","Czerwińska, Katarzyna Anna; Machura, Barbara; Kula, Sławomir; Krompiec, Stanislaw; Erfurt, Karol; Rodrigues, Catarina; Fernandes, Alexandra; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","Copper(II) complexes of functionalized 2,2′:6′,2′′-terpyridines and 2,6-di(thiazol-2-yl)pyridine. Structure, spectroscopy, cytotoxicity and catalytic activity","Dalton Trans.","2017","","","","","10.1039/C7DT01244F","","","0.71073","MoKα","","0.0382","0.0316","","","0.0683","0.0715","","","","","","1.038","","","","has coordinates","198156","2020-10-21","18:00:00",""
"7043606","25.0135","0.0006","10.895","0.0003","17.0457","0.0004","90","","90","","90","","4645.3","0.2","150","0.1","150","0.1","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C48 H58 Cl F6 Fe N4 O2 P Ru -","- C48 H58 Cl F6 Fe N4 O2 P Ru -","- C192 H232 Cl4 F24 Fe4 N16 O8 P4 Ru4 -","4","1","","Ruiz, Javier; García, Lucía; Vivanco, Marilín; Sol, Daniel; Garcia-Granda, Santiago","Half-sandwich iron(II) complexes with protic acyclic diaminocarbene ligands: synthesis, deprotonation and metalation reactions","Dalton Trans.","2017","","","","","10.1039/C7DT02049J","","","0.7107","MoKα","","0.091","0.0611","","","0.0902","0.0998","","","","","","1.054","","","","has coordinates","198711","2020-10-21","18:00:00",""
"7043938","20.3555","0.0014","9.5582","0.0006","19.5813","0.0012","90","","90","","90","","3809.8","0.4","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H48 Ag Br P2 -","- C42 H48 Ag Br P2 -","- C168 H192 Ag4 Br4 P8 -","4","1","","Osawa, Masahisa; Hashimoto, Masashi; Kawata, Isao; Hoshino, Mikio","Photoluminescence properties of TADF-emitting three-coordinate silver(I) halide complexes with diphosphine ligands: a comparison study with copper(I) complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02460F","","","0.71073","MoKα","","0.026","0.0222","","","0.0395","0.0412","","","","","","0.902","","","","has coordinates","199689","2020-10-21","18:00:00",""
"7043944","24.103","0.001","22.7743","0.001","22.3132","0.0009","90","","90","","90","","12248.4","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C53 H120 Co2 N4 P4 -","- C53 H120 Co2 N4 P4 -","- C424 H960 Co16 N32 P32 -","8","2","","Bai, Tao; Janes, Trevor; Song, Datong","Homoleptic Iron(II) and Cobalt(II) Bis (phosphoranimide) Complexes for Selective Hydrofunctionalization of Unsaturated Molecules","Dalton Trans.","2017","","","","","10.1039/C7DT02427D","","","0.71073","MoKα","","0.0608","0.0488","","","0.1117","0.12","","","","","","1.019","","","","has coordinates,has disorder","199691","2020-10-21","18:00:00",""
"7044114","8.6592","0.0003","7.7641","0.0002","11.5528","0.0004","90","","90","","90","","776.71","0.04","298","2","298.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Gunatilleke, Wilarachchige D. C. Bhagya; Wei, Kaya; Niu, Zheng; Wojtas, Lukasz; Ma, Shengqian; Nolas, George S.","Thermal Conductivity of Perovskite-type Metal-Organic Framework Crystal","Dalton Trans.","2017","","","","","10.1039/C7DT02927F","","","1.54178","CuKα","","0.0563","0.0388","","","0.0858","0.0951","","","","","","1.046","","","","has coordinates","200194","2020-10-21","18:00:00",""
"7044116","8.6505","0.0002","7.7272","0.0002","11.4884","0.0003","90","","90","","90","","767.93","0.03","100","2","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Gunatilleke, Wilarachchige D. C. Bhagya; Wei, Kaya; Niu, Zheng; Wojtas, Lukasz; Ma, Shengqian; Nolas, George S.","Thermal Conductivity of Perovskite-type Metal-Organic Framework Crystal","Dalton Trans.","2017","","","","","10.1039/C7DT02927F","","","1.54178","CuKα","","0.0423","0.0321","","","0.0684","0.073","","","","","","1.041","","","","has coordinates","200194","2020-10-21","18:00:00",""
"7044130","17.6602","0.0003","8.9362","0.0002","15.8756","0.0003","90","","90","","90","","2505.41","0.08","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H44 Fe N8 -","- C18 H44 Fe N8 -","- C72 H176 Fe4 N32 -","4","1","","Soussi, Khaled; Mishra, Shashank; Jeanneau, Erwann; Millet, Jean-Marc M; Daniele, Stephane","Asymmetrically substituted triazenes as poor electron donor ligands in the precursor chemistry of iron(II) for iron-based metallic and intermetallic nanocrystals","Dalton Trans.","2017","","","","","10.1039/C7DT02755A","","x-ray","0.71073","MoKα","","0.0688","0.0591","","0.1271","0.1162","0.1271","","","","","","0.9578","","","","has coordinates,has disorder","200263","2020-10-21","18:00:00",""
"7044197","20.4799","0.0012","6.6471","0.0004","6.5803","0.0004","90","","90","","90","","895.79","0.09","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H9 B7 Sb2 -","- C2 H9 B7 Sb2 -","- C8 H36 B28 Sb8 -","4","1","","Holub, Josef; Melichar, Petr; Ruzickova, Zdenka; Vrana, Jan; Wann, Derek; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš","A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing","Dalton Trans.","2017","","","","","10.1039/C7DT02845H","","","0.71073","MoKα","","0.0422","0.0271","","","0.0398","0.0419","","","","","","1.049","","","","has coordinates","200813","2020-10-21","18:00:00",""
"7044374","16.6399","0.0007","7.3056","0.0003","14.1494","0.0006","90","","90","","90","","1720.06","0.12","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Cl2 I2 N2 Pt -","- C12 H16 Cl2 I2 N2 Pt -","- C48 H64 Cl8 I8 N8 Pt4 -","4","1","","Bauer, Emma; Domingo, Xavier; Balcells, Cristina; Polat, Ibrahim; Crespo, Margarita; Quirante, Josefina; Badia, Josefa; Baldomà, Laura; Font-Bardia, Merce; Cascante, Marta","Synthesis, characterisation and biological activity of new cyclometallated platinum(IV) iodido complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03448B","","","0.71073","MoKα","","0.0224","0.0217","","","0.0554","0.0556","","","","","","1.124","","","","has coordinates","201543","2020-10-21","18:00:00",""
"7045078","21.282","0.006","18.958","0.006","11.572","0.004","90","","90","","90","","4669","3","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","matlv08","","","- C29 H75 Hf N O19 V5 -","- C29 H75 Hf N O19 V5 -","- C116 H300 Hf4 N4 O76 V20 -","4","1","","VanGelder, L. E.; Brennessel, W. W.; Matson, E. M.","Tuning the redox profiles of polyoxovanadate-alkoxide clusters via heterometal installation: toward designer redox Reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3698","3704","10.1039/c7dt04455k","","","0.71073","MoKα","","0.088","0.0551","","","0.1118","0.1243","","","","","","1.044","","","","has coordinates,has disorder","229998","2020-10-21","18:00:00",""
"7045080","21.402","0.002","18.96","0.002","11.5527","0.0012","90","","90","","90","","4687.9","0.8","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","matlv05","","","- C29 H75 N O19 V5 Zr -","- C29 H75 N O19 V5 Zr -","- C116 H300 N4 O76 V20 Zr4 -","4","1","","VanGelder, L. E.; Brennessel, W. W.; Matson, E. M.","Tuning the redox profiles of polyoxovanadate-alkoxide clusters via heterometal installation: toward designer redox Reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3698","3704","10.1039/c7dt04455k","","","0.71073","MoKα","","0.0681","0.0439","","","0.0937","0.1048","","","","","","1.02","","","","has coordinates,has disorder","229998","2020-10-21","18:00:00",""
"7045120","16.0426","0.0002","18.6629","0.0003","12.4388","0.0002","90","","90","","90","","3724.19","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H54 N2 S Yb -","- C42 H54 N2 S Yb -","- C168 H216 N8 S4 Yb4 -","4","1","","Trifonov, Alexander A.; Mahrova, Tatyana V.; Luconi, Lapo; Giambastiani, Giuliano; Lyubov, Dmitry M.; Cherkasov, Anton V.; Sorace, Lorenzo; Louyriac, Elisa; Maron, Laurent; Lyssenko, Konstantin A.","Steric control in the metal-ligand electron transfer of iminopyridine-ytterbocene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1566","1576","10.1039/c7dt04299j","","","0.71073","MoKα","","0.0445","0.0308","","","0.06","0.0644","","","","","","1.031","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7045189","31.152","0.004","8.5271","0.0012","18.229","0.003","90","","90","","90","","4842.3","1.2","150","2","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H52 Ag3 N7 O10 Se2 -","- C43 H52 Ag3 N7 O10 Se2 -","- C172 H208 Ag12 N28 O40 Se8 -","4","1","","Perras, Justin H.; Mezibroski, Stefan M. J.; Wiebe, Matthew A.; Ritch, Jamie S.","Diverse silver(i) coordination chemistry with cyclic selenourea ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1471","1478","10.1039/c7dt04243d","","","0.71073","MoKα","","0.0398","0.0347","","","0.0695","0.0708","","","","","","1.152","","","","has coordinates","229468","2020-10-21","18:00:00",""
"7045245","31.5658","0.0012","8.118","0.0003","10.7876","0.0004","90","","90","","90","","2764.34","0.18","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H23 N4 Nb O15 -","- C26 H23 N4 Nb O15 -","- C104 H92 N16 Nb4 O60 -","4","1","","Shmakova, Alexandra A.; Glebov, Eugeniy M.; Korolev, Valeri V.; Stass, Dmitri V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","Photochromism in oxalatoniobates.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2247","2255","10.1039/c7dt04077f","","x-ray","0.71073","MoKα","","0.0344","0.0279","","","0.058","0.0602","","","","","","1.032","","","","has coordinates","229798","2020-10-21","18:00:00",""
"7045427","21.305","0.005","6.84","0.003","18.77","0.005","90","","90","","90","","2735.3","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H33.5 Gd N15 O13.75 -","- C9 H33.5 Gd N15 O13.75 -","- C36 H134 Gd4 N60 O55 -","4","1","","Janicki, Rafał; Lindqvist-Reis, Patric","Eu(iii) and Cm(iii) tetracarbonates - in the quest for the limiting species in solution.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2393","2405","10.1039/c7dt04836j","","","0.71073","MoKα","","0.0506","0.037","","","0.0845","0.0874","","","","","","1.022","","","","has coordinates","229790","2020-10-21","18:00:00",""
"7045435","11.1611","0.0003","23.6764","0.0011","12.6813","0.0003","90","","90","","90","","3351.1","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H17 Cl5 Mo S3 -","- C6 H17 Cl5 Mo S3 -","- C48 H136 Cl40 Mo8 S24 -","8","2","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua","Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2406","2414","10.1039/c7dt04352j","","","0.71073","MoKα","","0.0431","0.034","","","0.07","0.0735","","","","","","1.025","","","","has coordinates","229785","2020-10-21","18:00:00",""
"7045538","16.209","0.0005","12.6755","0.0005","16.7152","0.0007","90","","90","","90","","3434.3","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H43 B Ni P2 -","- C41 H43 B Ni P2 -","- C164 H172 B4 Ni4 P8 -","4","1","","Drover, Marcus W.; Peters, Jonas C.","Expanding the allyl analogy: accessing η<sup>3</sup>-P,B,P diphosphinoborane complexes of group 10.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3733","3738","10.1039/c8dt00058a","","","0.71073","MoKα","","0.1009","0.0532","","","0.0722","0.0816","","","","","","1.011","","","","has coordinates","229987","2020-10-21","18:00:00",""
"7045616","21.0268","0.0014","16.0162","0.0009","21.3417","0.0012","90","","90","","90","","7187.2","0.7","100","","100","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C66 H98 B2 Cl6 F8 O4 P2 Pd2 -","- C66 H98 B2 Cl6 F8 O4 P2 Pd2 -","- C264 H392 B8 Cl24 F32 O16 P8 Pd8 -","4","1","","Kirlikovali, Kent O.; Cho, Eunho; Downard, Tyler J.; Grigoryan, Lilit; Han, Zheng; Hong, Sooji; Jung, Dahee; Quintana, Jason C.; Reynoso, Vanessa; Ro, Sooihk; Shen, Yi; Swartz, Kevin; Ter Sahakyan, Elizabeth; Wixtrom, Alex I.; Yoshida, Brandon; Rheingold, Arnold L.; Spokoyny, Alexander M.","Buchwald-Hartwig amination using Pd(i) dimer precatalysts supported by biaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3684","3688","10.1039/c8dt00119g","","","0.71073","MoKα","","0.0697","0.0573","","","0.1259","0.135","","","","","","1.039","","","","has coordinates,has disorder","230006","2020-10-21","18:00:00",""
"7045628","19.736","0.004","13.954","0.003","21.808","0.004","90","","90","","90","","6006","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C61 H46 N2 O22 U2 -","- C61 H46 N2 O22 U2 -","- C244 H184 N8 O88 U8 -","4","1","","Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing","Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4236","4250","10.1039/c7dt04909a","","","0.71073","MoKα","","0.0604","0.0488","","","0.1288","0.1437","","","","","","1.071","","","","has coordinates","230044","2020-10-21","18:00:00",""
"7045727","12.8628","0.0005","30.2997","0.001","5.5303","0.0002","90","","90","","90","","2155.37","0.13","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C29 H24 N4 -","- C29 H24 N4 -","- C116 H96 N16 -","4","1","","bhol, Mamina; Shankar, Bhaskaran; Malaichamy, Sathiyendiran","Rhenium(I) based irregular pentagonal-shaped metallacavitands","Dalton Transactions","2018","","","","","10.1039/C8DT00574E","","","0.71073","MoKα","","0.0348","0.0307","","","0.0697","0.0716","","","","","","1.097","","","","has coordinates","206640","2020-10-21","18:00:00",""
"7046004","18.6232","0.0016","37.606","0.003","13.3441","0.0011","90","","90","","90","","9345.5","1.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Glutaramidinium decavanadate","tris(1,5-diaminopentane-1,5-diiminium) decavanadate","","- C30 H106 N24 O67 V20 -","- C30 H84 N24 O67 V20 -","- C120 H336 N96 O268 V80 -","4","1","","Parker, B. F.; Hohloch, S.; Pankhurst, J. R.; Zhang, Z.; Love, J. B.; Arnold, J.; Rao, L.","Interactions of vanadium(iv) with amidoxime ligands: redox reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5695","5702","10.1039/c7dt04069e","","","0.71073","MoKα","","0.0427","0.039","","","0.0952","0.0974","","","","","","1.028","","","","has coordinates","229619","2020-10-21","18:00:00",""
"7046092","13.402","0.002","29.139","0.005","16.427","0.003","90","","90","","90","","6415.1","1.9","93","","93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H70 Ag2 F18 N15 P3 Pt2 -","- C48 H70 Ag2 F18 N15 P3 Pt2 -","- C192 H280 Ag8 F72 N60 P12 Pt8 -","4","1","","Horiuchi, Shinnosuke; Moon, Sangjoon; Sakuda, Eri; Ito, Akitaka; Arikawa, Yasuhiro; Umakoshi, Keisuke","U- to Z-shape isomerization in a Pt<sub>2</sub>Ag<sub>2</sub> framework containing pyridyl-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7113","7117","10.1039/c8dt01047a","","","0.71075","MoKα","","0.0716","0.0573","","","0.104","0.1129","","","","","","1.069","","","","has coordinates,has disorder","229904","2020-10-21","18:00:00",""
"7046199","11.2241","0.0004","19.335","0.0006","5.5817","0.0002","90","","90","","90","","1211.33","0.07","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.0418","0.0373","","","0.0855","0.0892","","","","","","1.069","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046305","11.598","0.0017","9.2935","0.0014","9.4641","0.0014","90","","90","","90","","1020.1","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C36 H68 Cl4 N8 -","4","1","","Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas","Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ<sup>2</sup>λ<sup>3</sup>-phosphorus motif via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10404","10409","10.1039/c8dt01607k","","","0.71073","MoKα","","0.0622","0.052","","","0.1174","0.1225","","","","","","1.099","","","","has coordinates","229834","2020-10-21","18:00:00",""
"7046355","29.813","0.008","24.94","0.007","35.412","0.009","90","","90","","90","","26330","12","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C280 H519 K3 Mn3 N123 O189 P8 W34 -","- C28 H16 Mn3 O146 P8 W34 -","- C112 H64 Mn12 O584 P32 W136 -","4","1","","Cameron, Jamie M.; Fujimoto, Satomi; Wei, Rong-Jia; Newton, Graham N.; Oshio, Hiroki","Post-functionalization of a photoactive hybrid polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10590","10594","10.1039/c8dt01253a","","","0.71073","MoKα","","0.2209","0.0883","","","0.2072","0.2995","","","","","","0.888","","","","has coordinates","229841","2020-10-21","18:00:00",""
"7046410","17.615","0.003","15.703","0.003","13.956","0.002","90","","90","","90","","3860.3","1.1","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H34 Ca Cl2 I2 N8 O10 -","- C26 H34 Ca Cl2 I2 N8 O10 -","- C104 H136 Ca4 Cl8 I8 N32 O40 -","4","1","","Luo, Jian; Ao, Yu-Fei; Malm, Christian; Hunger, Johannes; Wang, Qi-Qiang; Wang, De-Xian","Tritopic ion-pair receptors based on anion-π interactions for selective CaX<sub>2</sub> binding.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7883","7887","10.1039/c8dt01727a","","","0.71073","MoKα","","0.0474","0.0448","","","0.1116","0.1148","","","","","","1.06","","","","has coordinates","229224","2020-10-21","18:00:00",""
"7046554","17.9805","0.0002","8.1011","0.0001","5.3552","0.0001","90","","90","","90","","780.048","0.019","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H3 N O5 Sn -","- C7 H3 N O5 Sn -","- C28 H12 N4 O20 Sn4 -","4","1","","de Lima, G. M.; Walton, R. I.; Clarkson, G. J.; Bitzer, R. S.; Ardisson, J. D.","Air and moisture stable covalently-bonded tin(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8013","8022","10.1039/c8dt01370e","","x-ray","1.54178","CuKα","","0.0363","0.0356","","","0.0915","0.0925","","","","","","1.111","","","","has coordinates","229228","2020-10-21","18:00:00",""
"7046557","24.839","0.005","10.496","0.002","15.154","0.003","90","","90","","90","","3950.8","1.3","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C46 H29 B F12 N O P -","- C46 H29 B F12 N O P -","- C184 H116 B4 F48 N4 O4 P4 -","4","1","","Szkop, Kevin M.; Zhu, Diya; Longobardi, Lauren E.; Heck, Julian; Stephan, Douglas W.","Interception of intermediates in phosphine oxidation by mesityl nitrile-N-oxide using frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8933","8939","10.1039/c8dt01717d","","","0.71073","MoKα","","0.0719","0.0415","","","0.0786","0.0875","","","","","","1.048","","","","has coordinates","229328","2020-10-21","18:00:00",""
"7046573","17.191","0.004","10.438","0.003","19.367","0.004","90","","90","","90","","3475.2","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H33 Cl2 Co N P2 -","- C38 H33 Cl2 Co N P2 -","- C152 H132 Cl8 Co4 N4 P8 -","4","1","","Zhai, Yuan-Qi; Deng, Yi-Fei; Zheng, Yan-Zhen","Pseudotetrahedral cobalt(ii) complexes with PNP-ligands showing uniaxial magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8874","8878","10.1039/c8dt01683f","","","0.71073","MoKα","","0.082","0.0439","","","0.0483","0.0534","","","","","","1.154","","","","has coordinates","229309","2020-10-21","18:00:00",""
"7046623","25.284","0.005","9.6695","0.0019","15.833","0.003","90","","90","","90","","3870.9","1.3","173.15","","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H40 Cl2 N2 P2 Ru -","- C45 H40 Cl2 N2 P2 Ru -","- C180 H160 Cl8 N8 P8 Ru4 -","4","1","","Li, Jiaoyan; Ma, Yingmiao; Wang, Zheng; Liu, Qingbin; Solan, Gregory; 马, 艳平; Sun, Wen Hua","An air and moisture tolerant iminotrihydroquinoline-ruthenium(II) catalyst for the transfer hydrogenation of ketones","Dalton Transactions","2018","","","","","10.1039/C8DT01919C","","","0.71073","MoKα","","0.0364","0.0349","","","0.084","0.0847","","","","","","1.0431","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7046635","31.456","0.005","10.5339","0.0017","13.821","0.002","90","","90","","90","","4579.6","1.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H37 Cl2 N2 Ni O P -","- C19 H37 Cl2 N2 Ni O P -","- C152 H296 Cl16 N16 Ni8 O8 P8 -","8","2","","Yap, Chew Pheng; Chong, Yuan Yi; Chwee, Tsz Sian; Fan, Wai Yip","Electrocatalytic proton reduction by an air-stable nickel(ii)-thiolato PNN pincer complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8483","8488","10.1039/c8dt00911b","","","0.71073","MoKα","","0.0356","0.0328","","","0.0717","0.0731","","","","","","1.04","","","","has coordinates","229659","2020-10-21","18:00:00",""
"7046643","11.2","0.002","19.897","0.003","7.745","0.002","90","","90","","90","","1725.9","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 K N2 O3 -","- C19 H17 K N2 O3 -","- C76 H68 K4 N8 O12 -","4","1","","Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Alkali metal complexes based on bisheterocyclomethanide ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12606","12612","10.1039/c8dt01678j","","","0.71073","MoKα","","0.0224","0.021","","","0.0556","0.0566","","","","","","1.029","","","","has coordinates,has disorder","229910","2020-10-21","18:00:00",""
"7046646","16.3244","0.0017","18.597","0.0012","7.2964","0.0005","90","","90","","90","","2215.1","0.3","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","AL70","","- C26 H15 F N O4 P W -","- C26 H15 F N O4 P W -","- C104 H60 F4 N4 O16 P4 W4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0618","0.0412","","","0.0949","0.102","","","","","","0.949","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046788","6.0825","0.0009","7.0656","0.0011","40.788","0.006","90","","90","","90","","1752.9","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Williams, Cody; Ferreira, Michel; Monflier, Eric; Mapolie, Selwyn F.; Smith, Gregory S.","Synthesis and hydroformylation evaluation of Fréchet-type organometallic dendrons with N,O-salicylaldimine Rh(i) complexes at the focal point.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9418","9429","10.1039/c8dt01874j","","","0.71073","MoKα","","0.035","0.0327","","","0.0823","0.0836","","","","","","1.042","","","","has coordinates","229188","2020-10-21","18:00:00",""
"7046865","16.7634","0.0002","32.5035","0.0004","30.9114","0.0006","90","","90","","90","","16842.7","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C58.5 H90.75 Mo6 N4.25 O18 -","- C58.5 H90.75 Mo6 N4.25 O18 -","- C468 H726 Mo48 N34 O144 -","8","2","","Al-Yasari, Ahmed; Spence, Philip; El Moll, Hani; Van Steerteghem, Nick; Horton, Peter N.; Brunschwig, Bruce S.; Clays, Koen; Fielden, John","Fine-tuning polyoxometalate non-linear optical chromophores: a molecular electronic ""Goldilocks"" effect.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10415","10419","10.1039/c8dt01491d","","","0.71073","MoKα","","0.0807","0.0699","","","0.208","0.2178","","","","","","1.088","","","","has coordinates,has disorder","229819","2020-10-21","18:00:00",""
"7046898","31.5605","0.0009","8.6073","0.0002","20.2755","0.0005","90","","90","","90","","5507.9","0.2","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H35 B10 Cl Ir N3 -","- C22 H35 B10 Cl Ir N3 -","- C176 H280 B80 Cl8 Ir8 N24 -","8","2","","Frutos, María; Gómez-Gallego, Mar; Giner, Elena A.; Sierra, Miguel A.; Ramírez de Arellano, Carmen","Triazole vs. triazolium carbene ligands in the site-selective cyclometallation of o-carboranes by M(iii) (M = Ir, Rh) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","9975","9979","10.1039/c8dt02296h","","","0.71073","MoKα","","0.0707","0.0501","","","0.0935","0.1059","","","","","","1.053","","","","has coordinates","229812","2020-10-21","18:00:00",""
"7047014","7.3216","0.0005","16.6789","0.0009","10.443","0.0005","90","","90","","90","","1275.26","0.13","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H11 Nd O11 S -","- C8 H11 Nd O11 S -","- C32 H44 Nd4 O44 S4 -","4","1","","Franco, Chris H. J.; Chagas, Poliane; Caldeira, Gabriela S.; Oliveira, Luiz C. A.; de Souza, Patterson P.; Leitão, Alexandre A; Amarante, Giovanni W.; Diniz, Renata","Synthesis of glycerol carbonate over a 2D coordination polymer built with Nd<sup>3+</sup> ions and organic ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10976","10988","10.1039/c8dt01803k","","","0.71073","MoKα","","0.0501","0.0349","","","0.088","0.1396","","","","","","1.141","","","","has coordinates","229367","2020-10-21","18:00:00",""
"7047278","17.0801","0.0005","7.2442","0.0002","14.546","0.0005","90","","90","","90","","1799.8","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H24 Cl Ir -","- C22 H24 Cl Ir -","- C88 H96 Cl4 Ir4 -","4","1","","Chen, Houguang Jeremy; Teo, Ronald Hong Xiang; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Challenges in cyclometalation: steric effects leading to competing pathways and η<sup>1</sup>,η<sup>2</sup>-cyclometalated iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13046","13051","10.1039/c8dt02639d","","","0.71073","MoKα","","0.049","0.0328","","","0.0558","0.0604","","","","","","1.069","","","","has coordinates","229296","2020-10-21","18:00:00",""
"7047303","14.496","0.007","16.885","0.008","11.951","0.005","90","","90","","90","","2925","2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H29 Au Cl2 I O6 P -","- C25 H29 Au Cl2 I O6 P -","- C100 H116 Au4 Cl8 I4 O24 P4 -","4","1","","Srinivasa Reddy, T.; Privér, Steven H; Rao, Vijay V.; Mirzadeh, Nedaossadat; Bhargava, Suresh K.","Gold(i) and gold(iii) phosphine complexes: synthesis, anticancer activities towards 2D and 3D cancer models, and apoptosis inducing properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15312","15323","10.1039/c8dt01724g","","","0.71073","MoKα","","0.0103","0.01","","","0.0258","0.0265","","","","","","0.943","","","","has coordinates,has disorder","229441","2020-10-21","18:00:00",""
"7047304","14.422","0.003","16.702","0.003","11.86","0.002","90","","90","","90","","2856.8","0.9","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H29 Au Br Cl2 O6 P -","- C25 H29 Au Br Cl2 O6 P -","- C100 H116 Au4 Br4 Cl8 O24 P4 -","4","1","","Srinivasa Reddy, T.; Privér, Steven H; Rao, Vijay V.; Mirzadeh, Nedaossadat; Bhargava, Suresh K.","Gold(i) and gold(iii) phosphine complexes: synthesis, anticancer activities towards 2D and 3D cancer models, and apoptosis inducing properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15312","15323","10.1039/c8dt01724g","","","0.71073","MoKα","","0.0151","0.0129","","","0.0295","0.03","","","","","","0.947","","","","has coordinates,has disorder","229441","2020-10-21","18:00:00",""
"7047409","22.095","0.002","13.0551","0.0013","52.019","0.005","90","","90","","90","","15005","2","296","2","296.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C32 H208 K3 N6 O156 P2 Tm2 W22 -","- C32 H76 N6 O90 P2 Tm2 W22 -","- C128 H304 N24 O360 P8 Tm8 W88 -","4","1","","Wu, Hechen; Zhi, Minna; Singh, Vikram; Li, Huafeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Elucidating white light emissions in Tm<sup>3+</sup>/Dy<sup>3+</sup> codoped polyoxometalates: a color tuning and energy transfer mechanism study.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13949","13956","10.1039/c8dt02671h","","","0.71073","MoKα","","0.0917","0.0623","","","0.1454","0.1641","","","","","","1.054","","","","has coordinates","229495","2020-10-21","18:00:00",""
"7047540","20.061","0.004","23.316","0.005","17.798","0.004","90","","90","","90","","8325","3","386","2","386","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C80 H76 Cl10 Cu2 O9 P4 S -","- C80 H76 Cl10 Cu2 O9 P4 S -","- C320 H304 Cl40 Cu8 O36 P16 S4 -","4","1","","Yue, Kai; Guo, Yi-He; Pan, Jia-Qing; He, Kai; Qiao, Yuan-Yuan; Li, Qing-Shan; Xu, Feng-Bo","Novel self-adaptive boat-shaped complexes with a tetraphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13689","13695","10.1039/c8dt02498g","","","0.71073","MoKα","","0.0504","0.0481","","","0.1104","0.1116","","","","","","1.123","","","","has coordinates,has disorder","230029","2020-10-21","18:00:00",""
"7047716","17.888","0.0004","8.64","0.0002","14.9623","0.0003","90","","90","","90","","2312.46","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H40 Al2 Mg O4 -","- C14 H40 Al2 Mg O4 -","- C56 H160 Al8 Mg4 O16 -","4","1","","Stuhl, Christoph; Katzenmayer, Markus M.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Donor-stabilised molecular Mg/Al-bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15173","15180","10.1039/c8dt03343a","","","0.71073","MoKα","","0.0253","0.0243","","","0.0645","0.0651","","","","","","1.065","","","","has coordinates,has disorder","229476","2020-10-21","18:00:00",""
"7047796","22.486","0.007","6.0358","0.0018","11.857","0.004","90","","90","","90","","1609.2","0.9","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H12 N4 S2 -","- C19 H12 N4 S2 -","- C76 H48 N16 S8 -","4","1","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0611","0.0458","","","0.0982","0.1096","","","","","","1.033","","","","has coordinates","229280","2020-10-21","18:00:00",""
"7047882","14.0792","0.0006","10.7291","0.0004","13.5869","0.0004","90","","90","","90","","2052.4","0.13","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H33 Cu I P3 -","- C15 H33 Cu I P3 -","- C60 H132 Cu4 I4 P12 -","4","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","0.71073","MoKα","","0.0921","0.0507","","","0.0932","0.1106","","","","","","1.049","","","","has coordinates","229955","2020-10-21","18:00:00",""
"7047945","22.6297","0.0014","14.1505","0.0009","17.512","0.0011","90","","90","","90","","5607.7","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C64 H71 Co2 N7 O2 -","- C64 H71 Co2 N7 O2 -","- C256 H284 Co8 N28 O8 -","4","1","","Rajput, Amit; Sharma, Anuj K.; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabi","Six-coordinate [CoIII(L)2]z (z = 1‒, 0, 1+) complexes of an azo-appended o-aminophenolate in amidate(2‒) and iminosemiquinonate π-radical (1‒) redox-levels: existence of valence-tautomerism","Dalton Transactions","2018","","","","","10.1039/C8DT03257B","","","0.71073","MoKα","","0.0636","0.0484","","","0.1049","0.1125","","","","","","0.987","","","","has coordinates,has disorder","211772","2020-10-21","18:00:00",""
"7047974","15.252","0.003","10.681","0.002","43.197","0.009","90","","90","","90","","7037","2","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H46 N2 P2 -","- C20 H46 N2 P2 -","- C240 H552 N24 P24 -","12","3","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.1417","0.0615","","","0.1071","0.1349","","","","","","0.921","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7048028","15.1645","0.0019","13.1906","0.0019","16.823","0.002","90","","90","","90","","3365.1","0.8","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H56 Fe N2 P2 -","- C38 H56 Fe N2 P2 -","- C152 H224 Fe4 N8 P8 -","4","1","","Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko","Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17004","17010","10.1039/c8dt04168g","","","0.71075","MoKα","","0.0419","0.0338","","","0.0774","0.0802","","","","","","1.022","","","","has coordinates","229681","2020-10-21","18:00:00",""
"7048160","13.6337","0.0009","26.2681","0.0017","7.716","0.0005","90","","90","","90","","2763.3","0.3","180","2","180.18","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C25 H32 Au F6 N O P Sb -","- C25 H32 Au F6 N O P Sb -","- C100 H128 Au4 F24 N4 O4 P4 Sb4 -","4","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","x-ray","0.71073","MoKα","","0.0286","0.0276","","","0.0688","0.0695","","","","","","1.045","","","","has coordinates","223942","2020-10-21","18:00:00",""
"7048230","6.0974","0.0004","7.5834","0.0004","18.263","0.001","90","","90","","90","","844.46","0.08","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C8 H10 N4 -","- C8 H10 N4 -","- C32 H40 N16 -","4","1","","Schulz, Axel; Thomas, Max; Villinger, Alexander","Tetrazastannoles versus distannadiazanes - a question of the tin(ii) source.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","125","132","10.1039/c8dt04295k","","","0.71073","MoKα","","0.0538","0.0433","","","0.1013","0.1066","","","","","","1.072","","","","has coordinates","223952","2020-10-21","18:00:00",""
"7048245","26.1101","0.0017","7.7452","0.0005","6.8023","0.0005","90","","90","","90","","1375.62","0.16","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H8 N4 O7 U -","- C10 H8 N4 O7 U -","- C40 H32 N16 O28 U4 -","4","1","","Lv, Lina; Chen, Baihua; Liu, Jun; Chen, Jing; Xu, Chao; Yang, Yanqiu","A structural and thermodynamic study of the complexes of U(vi) with azinecarboxylates.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","566","577","10.1039/c8dt04099k","","x-ray","0.71073","MoKα","","0.057","0.0437","","","0.0904","0.096","","","","","","1.102","","","","has coordinates","224134","2020-10-21","18:00:00",""
"7048251","19.159","0.003","4.1134","0.0006","30.426","0.005","90","","90","","90","","2397.8","0.6","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H25 N5 O3 -","- C28 H25 N5 O3 -","- C112 H100 N20 O12 -","4","1","","Sonkar, Avinash Kumar; Rai, Abhishek; Tripathi, Kamini; Sharma, Pooja; Roesky, H. W.; Drew, Michael G. B.; Mishra, Lallan","A benzimidazolyl terpyridine-Fe<sup>2+</sup> system and its recognition driven molecular model of a traffic light.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","158","167","10.1039/c8dt03690j","","","0.71073","MoKα","","0.0638","0.0415","","","0.1061","0.1196","","","","","","1.024","","","","has coordinates","223933","2020-10-21","18:00:00",""
"7048275","23.1125","0.0006","12.5935","0.0003","13.1876","0.0003","90","","90","","90","","3838.48","0.16","120","","120","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H26 Cl2 N10 O8 Zn -","- C36 H26 Cl2 N10 O8 Zn -","- C144 H104 Cl8 N40 O32 Zn4 -","4","1","","Petzold, Holm; Hörner, Gerald; Schnaubelt, Linda; Rüffer, Tobias","Slow spin crossover in bis-meridional Fe<sup>2+</sup> complexes through spin-state auto-adaptive N6/N8 coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17257","17265","10.1039/c8dt03652g","","","1.54184","CuKα","","0.1022","0.0941","","","0.2638","0.2744","","","","","","1.048","","","","has coordinates,has disorder","229712","2020-10-21","18:00:00",""
"7048329","26.415","0.006","13.808","0.003","13.183","0.003","90","","90","","90","","4808.3","1.9","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H36 N4 O20 Zn4 -","- C48 H34 N4 O20 Zn4 -","- C192 H136 N16 O80 Zn16 -","4","1","","Shi, Qing; Wu, Shi-Yu; Qiu, Xing-Tai; Sun, Yan-Qiong; Zheng, Shou-Tian","Three viologen-derived Zn-organic materials: photochromism, photomodulated fluorescence, and inkless and erasable prints.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","954","963","10.1039/c8dt04393k","","","0.71073","MoKα","","0.0393","0.0345","","","0.0824","0.0849","","","","","","1.036","","","","has coordinates","224589","2020-10-21","18:00:00",""
"7048357","15.3555","0.0007","6.1536","0.0003","29.7559","0.0013","90","","90","","90","","2811.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","6c","","- C16 H12 N O4 Re -","- C16 H12 N O4 Re -","- C128 H96 N8 O32 Re8 -","8","2","","Oyarzo, Juan; Bosque, Ramón; Toro, Patricia; Silva, Carlos P.; Arancibia, Rodrigo; Font-Bardía, Mercè; Artigas, Vania; Calvis, Carme; Messeguer, Ramon; Klahn, A. Hugo; López, Concepción","A novel type of organometallic 2-R-2,4-dihydro-1H-3,1-benzoxazine with R = [M(η<sup>5</sup>-C<sub>5</sub>H<sub>4</sub>)(CO)<sub>3</sub>] (M = Re or Mn) units. Experimental and computational studies of the effect of substituent R on ring-chain tautomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","3","1023","1039","10.1039/c8dt03265c","","","0.71073","MoKα","","0.0439","0.0359","","","0.0791","0.0822","","","","","","1.059","","","","has coordinates","224588","2020-10-21","18:00:00",""
"7048506","28.3028","0.0016","12.4428","0.0007","14.4107","0.0008","90","","90","","90","","5075","0.5","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25.81 H37.43 Cl0.19 N Ni O P -","- C25.8085 H37.4255 Cl0.1915 N Ni O P -","- C206.468 H299.404 Cl1.532 N8 Ni8 O8 P8 -","8","2","","Gudun, Kristina A.; Segizbayev, Medet; Adamov, Assyl; Plessow, Philipp N.; Lyssenko, Konstantin A.; Balanay, Mannix P.; Khalimon, Andrey Y.","POCN Ni(ii) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1732","1746","10.1039/c8dt04854a","","","0.71073","MoKα","","0.0432","0.0337","","","0.0792","0.0836","","","","","","1.037","","","","has coordinates,has disorder","223994","2020-10-21","18:00:00",""
"7048657","16.5805","0.0005","14.6038","0.0006","8.1861","0.0004","90","","90","","90","","1982.17","0.14","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H26 Au Cl N2 -","- C21 H26 Au Cl N2 -","- C84 H104 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0397","0.0336","","","0.0802","0.0829","","","","","","1.055","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048727","26.797","0.006","7.6904","0.0017","11.398","0.003","90","","90","","90","","2348.9","1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H30 B10 N2 O2 -","- C18 H30 B10 N2 O2 -","- C72 H120 B40 N8 O8 -","4","1","","Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong","Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7242","7248","10.1039/c8dt04877k","","","0.71073","MoKα","","0.046","0.0395","","","0.1052","0.1109","","","","","","1.035","","","","has coordinates","224447","2020-10-21","18:00:00",""
"7048731","28.496","0.0006","14.9727","0.0003","9.1211","0.0002","90","","90","","90","","3891.63","0.14","383","0.14","383","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H49 Gd3 N8 O21 -","- C22 H49 Gd3 N8 O21 -","- C88 H196 Gd12 N32 O84 -","4","1","","Wang, Yu-Xia; Xu, Qiutong; Ren, Peng; Shi, Wei; Cheng, Peng","Solvent-induced formation of two gadolinium clusters demonstrating strong magnetocaloric effects and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2228","2233","10.1039/c8dt04267e","","","0.71073","MoKα","","0.0378","0.0306","","","0.0548","0.0569","","","","","","1.009","","","","has coordinates,has disorder","224160","2020-10-21","18:00:00",""
"7048732","28.3822","0.0006","14.9641","0.0003","9.077","0.0002","90","","90","","90","","3855.13","0.14","293","0.14","293","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H49 Gd3 N8 O21 -","- C22 H49 Gd3 N8 O21 -","- C88 H196 Gd12 N32 O84 -","4","1","","Wang, Yu-Xia; Xu, Qiutong; Ren, Peng; Shi, Wei; Cheng, Peng","Solvent-induced formation of two gadolinium clusters demonstrating strong magnetocaloric effects and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2228","2233","10.1039/c8dt04267e","","","0.71073","MoKα","","0.0441","0.0357","","","0.0458","0.0486","","","","","","0.976","","","","has coordinates,has disorder","224160","2020-10-21","18:00:00",""
"7048733","28.2783","0.0006","14.9386","0.0003","9.0311","0.0002","90","","90","","90","","3815.08","0.14","200","0.14","200","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H49 Gd3 N8 O21 -","- C22 H49 Gd3 N8 O21 -","- C88 H196 Gd12 N32 O84 -","4","1","","Wang, Yu-Xia; Xu, Qiutong; Ren, Peng; Shi, Wei; Cheng, Peng","Solvent-induced formation of two gadolinium clusters demonstrating strong magnetocaloric effects and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2228","2233","10.1039/c8dt04267e","","","0.71073","MoKα","","0.0371","0.0327","","","0.0538","0.0555","","","","","","0.995","","","","has coordinates,has disorder","224160","2020-10-21","18:00:00",""
"7048734","28.4536","0.0006","14.97","0.0003","9.1074","0.0002","90","","90","","90","","3879.3","0.14","353","0.14","353","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H49 Gd3 N8 O21 -","- C22 H49 Gd3 N8 O21 -","- C88 H196 Gd12 N32 O84 -","4","1","","Wang, Yu-Xia; Xu, Qiutong; Ren, Peng; Shi, Wei; Cheng, Peng","Solvent-induced formation of two gadolinium clusters demonstrating strong magnetocaloric effects and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2228","2233","10.1039/c8dt04267e","","","0.71073","MoKα","","0.044","0.0356","","","0.0516","0.0541","","","","","","0.975","","","","has coordinates,has disorder","224160","2020-10-21","18:00:00",""
"7048822","10.7012","0.0002","23.6772","0.0006","13.8942","0.0004","90","","90","","90","","3520.44","0.15","170","2","170","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C42 H39 P3 -","- C42 H39 P3 -","- C168 H156 P12 -","4","1","","Weyrich, Thomas; Krahmer, Jan; Engesser, Tobias A.; Näther, Christian; Tuczek, Felix","Molybdenum dinitrogen complex supported by a cyclohexane-based triphosphine ligand and dmpm.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6019","6025","10.1039/c8dt04738c","","","0.71073","MoKα","","0.0421","0.0378","","","0.09","0.0922","","","","","","1.043","","","","has coordinates","224403","2020-10-21","18:00:00",""
"7048920","7.1438","0.00014","16.4808","0.0003","10.3419","0.0002","90","","90","","90","","1217.61","0.04","119.9","0.2","119.9","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H11 Eu O11 S -","- C8 H11 Eu O11 S -","- C32 H44 Eu4 O44 S4 -","4","1","","Che, Xue-Jing; Hou, Sheng-Li; Shi, Ying; Yang, Guo-Li; Hou, Yin-Ling; Zhao, Bin","Selectively detecting toluene and benzaldehyde by two stable lanthanide-organic frameworks as luminescent probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3453","3458","10.1039/c8dt05108a","","x-ray","0.71073","MoKα","","0.0298","0.0292","","","0.0761","0.0773","","","","","","1.051","","","","has coordinates","223811","2020-10-21","18:00:00",""
"7049002","14.6205","0.0014","12.1534","0.0012","6.274","0.0005","90","","90","","90","","1114.82","0.18","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H8 Mn N8 O2 -","- C8 H8 Mn N8 O2 -","- C32 H32 Mn4 N32 O8 -","4","1","","Zhong, Li; Xie, Shang-Fang; He, Jian-Qiang; Zhong, Qi-Sui; Yang, Meng; Chen, Wen-Bin; Dong, Wen","Syntheses, structures, magnetism and electrocatalytic oxygen evolution for four cobalt, manganese and copper complexes with dinuclear, 1D and 3D structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3467","3475","10.1039/c9dt00227h","","x-ray","0.71073","MoKα","","0.0204","0.019","","","0.0472","0.0477","","","","","","1.104","","","","has coordinates","223816","2020-10-21","18:00:00",""
"7049122","14.851","0.004","13.856","0.003","9.599","0.002","90","","90","","90","","1975.2","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Br N2 P -","- C18 H26 Br N2 P -","- C72 H104 Br4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0208","0.0198","","","0.0509","0.0513","","","","","","1.071","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049124","14.82","0.003","13.479","0.003","9.4805","0.0017","90","","90","","90","","1893.8","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Cl N2 P -","- C18 H26 Cl N2 P -","- C72 H104 Cl4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0473","0.0414","","","0.113","0.1175","","","","","","1.041","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049126","14.966","0.006","13.906","0.006","9.583","0.004","90","","90","","90","","1994.4","1.4","373","2","373","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Br N2 P -","- C18 H26 Br N2 P -","- C72 H104 Br4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0779","0.0461","","","0.1091","0.1303","","","","","","1.029","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049128","14.976","0.008","13.602","0.006","9.504","0.005","90","","90","","90","","1936","1.7","373","2","373","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H26 Cl N2 P -","- C18 H26 Cl N2 P -","- C72 H104 Cl4 N8 P4 -","4","1","","Vijayakanth, Thangavel; Pandey, Richa; Kulkarni, Priyangi; Praveenkumar, Balu; Kabra, Dinesh; Boomishankar, Ramamoorthy","Hydrogen-bonded organo-amino phosphonium halides: dielectric, piezoelectric and possible ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7331","7336","10.1039/c8dt04498h","","","0.71073","MoKα","","0.0524","0.0414","","","0.1092","0.1177","","","","","","1.021","","","","has coordinates","224445","2020-10-21","18:00:00",""
"7049178","19.741","0.002","9.9649","0.001","44.148","0.004","90","","90","","90","","8684.7","1.5","150","2","150.15","","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C36.5 H34 B Cl F6 Mo N4 O8 P2 S2 -","- C36.5 H34 B Cl F6 Mo N4 O8 P2 S2 -","- C292 H272 B8 Cl8 F48 Mo8 N32 O64 P16 S16 -","8","2","","Lee, Kyounghoon; Kim, Chan Woo; Buckley, Jimmy L.; Vlaisavljevich, Bess; Daly, Scott R.","Isolation of ligand-centered borocations in molybdenum complexes containing a triaminoborane-bridged diphosphorus ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3777","3785","10.1039/c9dt00733d","","","0.71073","MoKα","","0.0661","0.0547","","","0.0985","0.1024","","","","","","1.116","","","","has coordinates,has disorder","224540","2020-10-21","18:00:00",""
"7049329","15.3969","0.0007","18.3161","0.0009","8.5618","0.0004","90","","90","","90","","2414.5","0.2","185","2","185","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H31 Cl2 Cr N -","- C26 H31 Cl2 Cr N -","- C104 H124 Cl8 Cr4 N4 -","4","1","","Song, Tingting; Tao, Xin; Tong, Xiaobo; Liu, Ning; Gao, Wei; Mu, Xiaoyue; Mu, Ying","Synthesis and characterization of chromium complexes 2-Me<sub>4</sub>CpC<sub>6</sub>H<sub>4</sub>CH<sub>2</sub>(R)NHCrCl<sub>2</sub> and their catalytic properties in ethylene homo- and co-polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4912","4920","10.1039/c9dt00448c","","","0.71073","MoKα","","0.0516","0.0455","","","0.1128","0.1172","","","","","","0.999","","","","has coordinates","224396","2020-10-21","18:00:00",""
"7049354","18.484","0.006","10.708","0.003","17.311","0.006","90","","90","","90","","3426.3","1.9","100","","100","","","","","","","","see text","6","P n a 21","P 2c -2n","33","","","","- C34 H34 F6 O6 P2 Ru -","- C34 H34 F6 O6 P2 Ru -","- C136 H136 F24 O24 P8 Ru4 -","4","1","","Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E","Ru(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4625","4635","10.1039/c9dt00334g","","x-ray","0.71073","MoKα","","0.0593","0.0427","","","0.0964","0.1112","","","","","","1.082","","","","has coordinates,has disorder","224297","2020-10-21","18:00:00",""
"7049397","16.408","0.003","20.9","0.004","18.114","0.004","90","","90","","90","","6212","2","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H67 Cl2 Co N3 -","- C63 H67 Cl2 Co N3 -","- C252 H268 Cl8 Co4 N12 -","4","1","","Guo, Liwei; Zada, Muhammad; Zhang, Wenjuan; Vignesh, Arumugam; Zhu, Dongzhi; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Highly linear polyethylenes tailored with 2,6-bis[1-(p-dibenzo-cycloheptylarylimino)ethyl]pyridylcobalt dichlorides.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5604","5613","10.1039/c9dt01109a","","","0.71073","MoKα","","0.0545","0.0497","","","0.1198","0.1222","","","","","","1.053","","","","has coordinates","224102","2020-10-21","18:00:00",""
"7049720","10.5103","0.0011","18.4362","0.0011","12.6751","0.0009","90","","90","","90","","2456.1","0.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Cd N4 O5 -","- C24 H28 Cd N4 O5 -","- C96 H112 Cd4 N16 O20 -","4","1","","Zhu, Li-Na; Deng, Zhao-Peng; Ng, Seik Weng; Huo, Li-Hua; Gao, Shan","Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with an asymmetric spacer in chelating mode and diverse organic dicarboxylates: syntheses, structural evolutions and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7589","7601","10.1039/c9dt00840c","","","0.71073","MoKα","","0.1435","0.0747","","","0.1484","0.1861","","","","","","1.022","","","","has coordinates","223831","2020-10-21","18:00:00",""
"7049774","24.139","0.007","28.614","0.008","19.264","0.005","90","","90","","90","","13306","6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C231 H234 Cl6 F48 N36 P16 Ru8 -","- C231 H234 Cl6 F48 N36 P16 Ru8 -","- C462 H468 Cl12 F96 N72 P32 Ru16 -","2","0.5","","Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7809","7816","10.1039/c9dt01303b","","","0.71073","MoKα","","0.0912","0.0772","","","0.1839","0.1945","","","","","","1.138","","","","has coordinates","223824","2020-10-21","18:00:00",""
"7049795","20.9896","0.0014","12.6767","0.0009","23.7412","0.0016","90","","90","","90","","6317","0.7","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H52 Mn4 N13 O16 -","- C66 H52 Mn4 N13 O16 -","- C264 H208 Mn16 N52 O64 -","4","1","","Lakma, Avinash; Hossain, Sayed Muktar; van Leusen, Jan; Kögerler, Paul; Singh, Akhilesh Kumar","Tetranuclear Mn<sup>II</sup>, Co<sup>II</sup>, Cu<sup>II</sup> and Zn<sup>II</sup> grid complexes of an unsymmetrical ditopic ligand: synthesis, structure, redox and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7766","7777","10.1039/c9dt01041f","","","0.71073","MoKα","","0.1608","0.0617","","","0.0925","0.1166","","","","","","1.004","","","","has coordinates,has disorder","223830","2020-10-21","18:00:00",""
"7049849","27.5717","0.0009","27.5456","0.0008","13.5609","0.0005","90","","90","","90","","10299.2","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C112 H38 Cs56 N112 O27 S112 U16 -","- C112 H38 Cs56 N112 O27 S112 U16 -","- C112 H38 Cs56 N112 O27 S112 U16 -","1","0.25","","Nuzzo, Stefano; van Leusen, Jan; Twamley, Brendan; Platts, James A.; Kögerler, Paul; Baker, Robert J.","Oxidation of uranium(iv) thiocyanate complexes: cation-cation interactions in mixed-valent uranium coordination chains.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6704","6708","10.1039/c9dt01005j","","x-ray","0.71073","MoKα","","0.0364","0.029","","","0.0558","0.0589","","","","","","1.121","","","","has coordinates,has disorder","224223","2020-10-21","18:00:00",""
"7049865","28.933","0.0003","10.4341","0.0001","11.2939","0.0001","90","","90","","90","","3409.51","0.06","99.98","0.19","99.98","0.19","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H20 F20 Mg N2 O2 -","- C32 H20 F20 Mg N2 O2 -","- C128 H80 F80 Mg4 N8 O8 -","4","1","","Fischer, Christian A.; Rösch, Andreas; Elsen, Holger; Ballmann, Gerd; Wiesinger, Michael; Langer, Jens; Färber, Christian; Harder, Sjoerd","Lewis acidic alkaline earth metal complexes with a perfluorinated diphenylamide ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6757","6766","10.1039/c9dt01272a","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0789","0.0794","","","","","","1.055","","","","has coordinates","224234","2020-10-21","18:00:00",""
"7049880","10.3167","0.0005","16.1003","0.0009","13.6533","0.0009","90","","90","","90","","2267.8","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 I3 Nd O3 -","- C12 H30 I3 Nd O3 -","- C48 H120 I12 Nd4 O12 -","4","1","","Gompa, Thaige P.; Rice, Natalie T.; Russo, Dominic R.; Aguirre Quintana, Luis M.; Yik, Brandon J.; Bacsa, John; La Pierre, Henry S.","Diethyl ether adducts of trivalent lanthanide iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8030","8033","10.1039/c9dt00775j","","","0.71073","MoKα","","0.0396","0.0381","","","0.089","0.0902","","","","","","1.063","","","","has coordinates","224430","2020-10-21","18:00:00",""
"7049906","28.8902","0.0005","9.5425","0.0002","13.4798","0.0002","90","","90","","90","","3716.18","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H21 Bi2 I9 N6 -","- C15 H21 Bi2 I9 N6 -","- C60 H84 Bi8 I36 N24 -","4","1","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","x-ray","0.67522","synchrotron","","0.0467","0.0379","","","0.0856","0.0901","","","","","","0.988","","","","has coordinates","223828","2020-10-21","18:00:00",""
"7049919","18.4489","0.0005","7.829","0.0002","16.0806","0.0004","90","","90","","90","","2322.62","0.1","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H24 Cl F8 N2 P Ru -","- C22 H24 Cl F8 N2 P Ru -","- C88 H96 Cl4 F32 N8 P4 Ru4 -","4","1","","Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D.","Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6910","6920","10.1039/c8dt05159c","","","1.54178","CuKα","","0.0295","0.025","","","0.0541","0.0557","","","","","","1.041","","","","has coordinates","224232","2020-10-21","18:00:00",""
"7050018","13.405","0.006","10.911","0.002","14.405","0.003","90","","90","","90","","2106.9","1.1","296.2","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C104 H100 N12 O8 -","4","1","","Ooyama, Yousuke; Nakamura, Takato; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Synthesis of novel imidazoanthraquinol derivatives and their photophysical properties in benzene and in the crystalline state","New Journal of Chemistry","2005","29","3","447","","10.1039/b410311d","","","0.7107","MoKα","","0.0736","0.0424","","","0.0987","0.1201","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050030","16.57","0.01","12.047","0.008","24.125","0.008","90","","90","","90","","4816","5","296.2","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H30 N3 O2.5 -","- C28 H30 N3 O2.5 -","- C224 H240 N24 O20 -","8","2","","Ooyama, Yousuke; Yoshida, Katsuhira","Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules","New Journal of Chemistry","2005","29","9","1204","","10.1039/b411591k","","","0.7107","MoKα","","0.1085","0.0497","","","0.0571","0.0699","","","","","","1.212","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050031","9.5378","0.001","12.572","0.0014","5.183","0.0006","90","","90","","90","","621.49","0.12","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","nickel amidomethylphosphonate monohydrate","","- C2 H6 N Ni O5 P -","- C2 H4 N Ni O5 P -","- C8 H16 N4 Ni4 O20 P4 -","4","1","","Modi, Rakesh; Hix, Gary B.; Tremayne, Maryjane; MacLean, Elizabeth","Polymorphism in nickel phosphonates: synthesis of layered and microporous Ni(O3PCH2C(O)NH2)�H2O","New Journal of Chemistry","2005","29","3","427","","10.1039/b411740a","","","0.6877","synchrotron","","0.0541","0.0526","","","0.1332","0.1341","","","","","","1.067","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050041","20.8343","0.0012","10.083","0.0006","13.5064","0.0008","90","","90","","90","","2837.3","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","μ6-oxo-dodeca-μ-methoxo-hexakis(oxovanadium)","","- C12 H36 O19 V6 -","- C12 H36 O19 V6 -","- C48 H144 O76 V24 -","4","1","","Yurii, Yablokov; Maria A. Augustyniak-Jablokow; .; Serguei Borshch; .; Daniel, Charles; Hartl, Hans","EPR study of the magnetic states of mixed-valence VIV4 - VV2 alkoxypolyoxovanadium cluster","New J.Chem.(Nouv.J.Chim.)","2005","","","","","10.1039/b412427h","","","0.71073","MoKα","","0.0347","0.0282","","","0.0694","0.0727","","","","","","1.016","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050097","14.7028","0.0012","7.9159","0.0007","28.661","0.002","90","","90","","90","","3335.7","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H52 N16 O9 -","- C16 H52 N16 O9 -","- C64 H208 N64 O36 -","4","1","","Lee, Sang-Ok; Kariuki, Benson M.; Harris, Kenneth D. M.","Hydrogen-bonded chains of α,ω-diaminoalkane and α,ω-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds","New Journal of Chemistry","2005","29","10","1266","","10.1039/b502004m","","","1.54178","CuKα","","0.0776","0.06","","","0.1702","0.1928","","","","","","1.033","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050098","14.5312","0.0012","8.0457","0.0007","28.962","0.002","90","","90","","90","","3386.1","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H54 N16 O9 -","- C17 H54 N16 O9 -","- C68 H216 N64 O36 -","4","1","","Lee, Sang-Ok; Kariuki, Benson M.; Harris, Kenneth D. M.","Hydrogen-bonded chains of α,ω-diaminoalkane and α,ω-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds","New Journal of Chemistry","2005","29","10","1266","","10.1039/b502004m","","","1.54178","CuKα","","0.0751","0.0542","","","0.1484","0.1705","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050213","21.246","0.004","17.803","0.004","11.048","0.002","90","","90","","90","","4178.8","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H36 Ga I3 N10 -","- C38 H36 Ga I3 N10 -","- C152 H144 Ga4 I12 N40 -","4","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0595","0.0484","","","0.1109","0.1174","","","","","","1.035","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050320","21.5782","0.0001","6.2908","0.0005","17.4204","0.0006","90","","90","","90","","2364.7","0.2","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","1,4,7,10,13,16-hexaazacyclooctadecane-tetrahydrogenbromide- dihydrate","1,4,7,10,13,16-hexaazacyclooctadecane-tetrahydrogenbromide-dihydrate","","- C12 H38 Br4 N6 O2 -","- C12 H33 Br4 N6 O2 -","- C48 H132 Br16 N24 O8 -","4","1","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0881","0.0628","","","0.1499","0.1631","","","","","","1.015","","","","has coordinates","190835","2020-10-21","18:00:00",""
"7050336","13.731","0.003","4.9553","0.001","18.029","0.004","90","","90","","90","","1226.7","0.4","200","","200","","","","","","","","","3","P n a 21","P 2c -2n","33","beta-Guanidinium dicyanamide","beta-Guanidinium dicyanamide","","- C3 H6 N6 -","- C3 H6 N6 -","- C24 H48 N48 -","8","2","","Wolfgang Schnick; Bettina V. Lotsch","Towards novel C-N materials: Crystal structures of two polymorphs of guanidinium dicyanamide and their thermal conversion into melamine.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0687","0.0423","","","0.0967","0.11","","","","","","1.043","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050377","16.142","0.0003","18.9857","0.0004","11.1379","0.0002","90","","90","","90","","3413.4","0.11","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C168 H176 N16 -","8","2","","Suresh Das; Shibu Abraham; Riju Davis; Nigam P. Rath","Observation of a Non-Conventional Horner-Wadsworth-Emmons Olefination Product and the Effect of the Lateral Ethyl Substitution on its Solid State Fluorescence","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1577","0.0609","","","0.1277","0.1658","","","","","","0.971","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050442","23.363","0.0001","8.554","0.0001","10.984","0.0002","90","","90","","90","","2195.12","0.05","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H30 Cl F4 N Ni P2 -","- C17 H30 Cl F4 N Ni P2 -","- C68 H120 Cl4 F16 N4 Ni4 P8 -","4","1","","Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","3-Fluoropyridyl nickel complexes as useful tools for the selective synthesis of new 2,4,5,6-tetrafluoropyridines: a route complementing the established methods to access fluorinated pyridines","New Journal of Chemistry","2003","27","2","313","","10.1039/b207943g","","","0.71073","MoKα","","0.0216","0.0205","","","0.0508","0.0513","","","","","","1.042","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050443","23.461","0.0003","8.722","0.0004","10.868","0.0009","90","","90","","90","","2223.9","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H33 F4 N Ni P2 -","- C18 H33 F4 N Ni P2 -","- C72 H132 F16 N4 Ni4 P8 -","4","1","","Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","3-Fluoropyridyl nickel complexes as useful tools for the selective synthesis of new 2,4,5,6-tetrafluoropyridines: a route complementing the established methods to access fluorinated pyridines","New Journal of Chemistry","2003","27","2","313","","10.1039/b207943g","","","0.71073","MoKα","","0.0521","0.0337","","","0.0762","0.0846","","","","","","1.087","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050489","9.3565","0.0001","17.3925","0.0002","12.5085","0.0002","90","","90","","90","","2035.54","0.05","233","2","233","2","","","","","","","","3","P n a 21","P 2c -2n","33","dtbpm","","","- C17 H38 P2 -","- C17 H38 P2 -","- C68 H152 P8 -","4","1","","Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter","Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species","New Journal of Chemistry","2003","27","3","540","550","10.1039/b210114a","","","0.71073","MoKα","","0.0542","0.0405","","0.1299","0.1103","","","","1.083","1.058","1.058","","","","","has coordinates,has disorder","180058","2020-10-21","18:00:00",""
"7050513","19.498","0.009","8.584","0.004","29.979","0.013","90","","90","","90","","5018","4","120","2","120","2","","","","","","","","8","P n a 21","P 2c -2n","33","Di(tetra(dimethylamido)phosphonium)(2+) 1,8- Bis(trichlorostannato)-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza- 4,5,11,12,17,18-hexachlorobicyclo-(6.6.6)eicosa-3,5,10,12,16,18-hexaene iron(ii) (2-)","","","- C22 H48 Cl12 Fe N14 O6 P2 Sn2 -","- C22 H48 Cl12 Fe N14 O6 P2 Sn2 -","- C88 H192 Cl48 Fe4 N56 O24 P8 Sn8 -","4","1","","Voloshin, Yan Z.; Varzatskii, Oleg A.; Palchik, Aleksei V.; Strizhakova, Nataly G.; Vorontsov, Ivan I.; Antipin, Mikhail Yu.; Kochubey, Dmitry I.; Novgorodov, Boris N.","First trigonal-antiprismatic tris-dichloroglyoximate iron(ii) clathrochelate and its reactivity in nucleophilic substitution reactionsElectronic supplementary information (ESI) available: EXAFS oscillations, k2?(k), and RDA curves of six boron- and tin-capped iron(ii) clathrochelates. See http://www.rsc.org/suppdata/nj/b2/b211623e/","New Journal of Chemistry","2003","27","7","1148","","10.1039/b211623e","","","0.71073","MoKα","","0.0806","0.0541","","","0.1165","0.1269","","","","","","0.927","","","","has coordinates,has disorder","180059","2020-10-21","18:00:00",""
"7050683","15.08","0.02","9.895","0.014","8.7","0.014","90","","90","","90","","1298","3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C10 H12 B Cu F4 N2 O -","- C10 H10 B Cu F4 N2 O -","- C40 H40 B4 Cu4 F16 N8 O4 -","4","1","","Naskar, Jnan P.; Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar","Chemistry of the copper(I)‒water bond. Some new observations","New Journal of Chemistry","2002","26","1","170","","10.1039/b105443k","","","0.71073","MoKα","","0.0948","0.0721","","","0.1833","0.1949","","","","","","1.11","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050797","14.633","0.002","7.328","0.003","11.725","0.001","90","","90","","90","","1257.3","0.6","298","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl4 Ge N2 -","- C6 H16 Cl4 Ge N2 -","- C24 H64 Cl16 Ge4 N8 -","4","1","","Ejfler, Jolanta; Szafert, Slawomir; Jiao, Haijun; Sobota, Piotr","Syntheses of new hexacoordinate germanium(IV) complexes. Crystal structures and properties of [GeCl4(TMEDA)] and [GeCl2(N3)2(TMEDA)]","New Journal of Chemistry","2002","26","6","803","","10.1039/b110770b","","","0.71073","MoKα","","0.1642","0.0414","","","0.1026","0.1418","","","","","","1.037","","","","has coordinates","180061","2020-10-21","18:00:00",""
"7050857","14.277","0.001","23.8122","0.0018","13.4358","0.0011","90","","90","","90","","4567.7","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H36 Cl3 Lu N8 O22 -","- C40 H32 Cl3 Lu N8 O22 -","- C160 H128 Cl12 Lu4 N32 O88 -","4","1","","Huskowska, Ewa; Turowska-Tyrk, Ilona; Legendziewicz, Janina; Riehl, James P.","The structure and spectroscopy of lanthanide(III) complexes with 2,2'-bipyridine-1,1'-dioxide in solution and in the solid state: effects of ionic size and solvent on photophysics, ligand structure and coordination","New Journal of Chemistry","2002","26","10","1461","1467","10.1039/b201846m","","","0.71073","MoKα","","0.0812","0.0614","","","0.1069","0.1131","","","","","","1.164","","","","has coordinates","275123","2022-05-06","17:24:23",""
"7051031","23.732","0.002","8.039","0.002","14.922","0.002","90","","90","","90","","2846.8","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H29 Cl N O7 P Pd -","- C29 H29 Cl N O7 P Pd -","- C116 H116 Cl4 N4 O28 P4 Pd4 -","4","1","","Carlos Cativiela; Larry R. Falvello; Juan Carlos Ginés; Rafael Navarro; Esteban P. Urriolabeitia","Synthesis, structure and reactivity of PdII complexes with the terdentate imino alcohol ligand C6H3-3,4-(OMe)2‒C(H)NCH2CH2OH","New J. Chem.","2001","25","2","344","352","10.1039/b006140i","","","0.71073","MoKα","","0.0927","0.0506","","","0.1054","0.117","","","","","","0.963","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051277","17.887","0.005","18.538","0.005","11.515","0.003","90","","90","","90","","3818.2","1.8","294","","294","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H36 I O2 P2 Rh -","- C45 H36 I O2 P2 Rh -","- C180 H144 I4 O8 P8 Rh4 -","4","1","","Pierre Braunstein; Yves Chauvin; Jean Fischer; Hélène Olivier; Carsten Strohmann; Dawn V. Toronto","Oxidative addition of iodine, iodomethane and iodobenzene to the rhodium phosphino enolate complex[Rh{Ph2PCHC(O)Ph}(CO)(PPh3)] and carbon monoxide insertion into the resulting Rh‒carbon bond of [Rh{Ph2PCHC(O)Ph}Me(I)(CO)(PPh3)]","New J. Chem.","2000","24","6","437","445","10.1039/b000961j","","","0.71073","Mo-Kα","","0.038","0.022","","0.037","","0.027","","","1.408","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051355","15.9302","0.001","10.8486","0.0007","11.3797","0.0007","90","","90","","90","","1966.6","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H18 Ag2 N8 Ni O -","- C12 H16 Ag2 N8 Ni O -","- C48 H64 Ag8 N32 Ni4 O4 -","4","1","","Shek, Iris P. Y.; Wong, Wai-Yeung; Lau, Tai-Chu","A novel heterobimetallic Ni(II)‒Ag(I) cyano-bridged coordination polymer incorporating Ag···Ag interactions: {[Ni(cyclen)][Ag(CN)2]}[Ag(CN)2]","New Journal of Chemistry","2000","24","10","733","","10.1039/b004939p","","","0.71073","MoKα","","0.0233","0.0228","","","0.0637","0.0641","","","","","","1.035","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051410","15.109","0.002","24.2235","0.0015","12.5179","0.0012","90","","90","","90","","4581.3","0.8","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H32 F24 N4 P4 -","- C40 H32 F24 N4 P4 -","- C160 H128 F96 N16 P16 -","4","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a809433k","","","","","","","0.073","","","0.1844","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7051643","25.117","0.0004","11.899","0.0006","9.302","0.0012","90","","90","","90","","2780.1","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H24 F6 N6 O7 S2 Zn -","- C21 H24 F6 N6 O7 S2 Zn -","- C84 H96 F24 N24 O28 S8 Zn4 -","4","1","","Ulrich, Sébastien; Buhler, Eric; Lehn, Jean-Marie","Reversible constitutional switching between macrocycles and polymers induced by shape change in a dynamic covalent system","New Journal of Chemistry","2009","33","2","271","","10.1039/b817261g","","","0.71073","MoKα","","0.1665","0.068","","","0.1108","0.1379","","","","","","1.006","","","","has coordinates","180070","2020-10-21","18:00:00",""
"7051721","11.812","0.0015","22.452","0.003","8.8916","0.0011","90","","90","","90","","2358.1","0.5","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H20 Au F3 N8 O3 S -","- C19 H20 Au F3 N8 O3 S -","- C76 H80 Au4 F12 N32 O12 S4 -","4","1","","Gabrielli, William F.; Nogai, Stefan D.; McKenzie, Jean M.; Cronje, Stephanie; Raubenheimer, Helgard G.","Tetrazolyl and tetrazolylidene complexes of gold: a synthetic and structural study","New Journal of Chemistry","2009","33","11","2208","","10.1039/b907022b","","","0.71073","MoKα","","0.0517","0.0407","","","0.0854","0.089","","","","","","1.108","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051739","21.4029","0.0004","11.2947","0.0003","18.8883","0.0005","90","","90","","90","","4566.05","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H40 N9 Nd O14 Zn2 -","- C42 H38 N9 Nd O14 Zn2 -","- C168 H152 N36 Nd4 O56 Zn8 -","4","1","","Bi, Weiyu; Wei, Tao; Lü, Xingqiang; Hui, Yani; Song, Jirong; Zhao, Shunsheng; Wong, Wai-Kwok; Jones, Richard A.","Hetero-trinuclear near-infrared (NIR) luminescent Zn2Ln complexes from Salen-type Schiff-base ligands","New Journal of Chemistry","2009","33","11","2326","","10.1039/b9nj00228f","","","1.54184","CuKα","","0.0505","0.0451","","","0.1296","0.1332","","","","","","1.051","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051748","8.342","0.001","9.678","0.002","13.675","0.002","90","","90","","90","","1104","0.3","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 N O3 S -","- C12 H9 N O3 S -","- C48 H36 N4 O12 S4 -","4","1","","Altamura, Maria; Fedi, Valentina; Giannotti, Danilo; Paoli, Paola; Rossi, Patrizia","Privileged structures: synthesis and structural investigations on tricyclic sulfonamides","New Journal of Chemistry","2009","33","11","2219","","10.1039/b9nj00279k","","","0.71073","MoKα","","0.0712","0.0354","","","0.0629","0.0698","","","","","","0.82","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051789","12.9541","0.0015","11.2941","0.0013","13.3664","0.0015","90","","90","","90","","1955.6","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","tris(4,5-dimethylthiazol-2-yl)phosphanegold(I) chloride","chlorido[tris(4,5-dimethylthiazol-2-yl)phosphane]gold(I)","","- C15 H18 Au Cl N3 P S3 -","- C15 H18 Au Cl N3 P S3 -","- C60 H72 Au4 Cl4 N12 P4 S12 -","4","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0255","0.0237","","","0.0581","0.0591","","","","","","1.046","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051963","9.3818","0.0008","12.2919","0.001","10.7257","0.0009","90","","90","","90","","1236.89","0.18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl Ga N2 O2 -","- C8 H20 Cl Ga N2 O2 -","- C32 H80 Cl4 Ga4 N8 O8 -","4","1","","Basharat, Siama; Knapp, Caroline E.; Carmalt, Claire J.; Barnett, Sarah A.; Tocher, Derek A.","Synthesis and structures of gallium alkoxides","New Journal of Chemistry","2008","32","9","1513","","10.1039/b801579a","","","0.71073","MoKα","","0.0292","0.0273","","","0.0628","0.0637","","","","","","1.115","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7052573","12.178","0.005","8.01","0.003","14.622","0.006","90","","90","","90","","1426.3","1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C9 H6 Ag F3 N4 O5 S2 -","- C9 H6 Ag F3 N4 O5 S2 -","- C36 H24 Ag4 F12 N16 O20 S8 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.1024","0.0585","","","0.1341","0.1655","","","","","","1.065","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052599","15.039","0.007","12.809","0.006","14.218","0.006","90","","90","","90","","2739","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H26 N8 O2 -","- C32 H26 N8 O2 -","- C128 H104 N32 O8 -","4","1","","Costa, Roshinee; Schick, Andrew J.; Paul, Nathan B.; Durfee, William S.; Ziegler, Christopher J.","Hydroxybenziphthalocyanines: non-aromatic phthalocyanine analogues that exhibit strong UV-visible absorptions","New Journal of Chemistry","2011","35","4","794","","10.1039/c0nj00500b","","","0.71073","MoKα","","0.069","0.0496","","","0.0992","0.108","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052717","23.588","0.004","9.1363","0.0009","13.1639","0.001","90","","90","","90","","2836.9","0.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H23 Mn O4 P S -","- C32 H23 Mn O4 P S -","- C128 H92 Mn4 O16 P4 S4 -","4","1","","Rose-Munch, Françoise; Cetiner, Derya; Chavarot-Kerlidou, Murielle; Rose, Eric","Phosphino-substituted (η5-cyclohexadienyl)tricarbonylmanganese complexes: synthesis and structure","New Journal of Chemistry","2011","35","10","2004","","10.1039/c1nj20152b","","","0.71073","MoKα","","0.0594","0.0416","","","0.0947","0.1015","","","","","","1.014","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052746","17.1967","0.001","17.6328","0.001","8.535","0.0005","90","","90","","90","","2588","0.3","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H38 B F Fe -","- C32 H38 B F Fe -","- C128 H152 B4 F4 Fe4 -","4","1","","Cao, Duxia; Zhao, Haiyan; Gabbaï, François P.","A sandwich complex of trimesitylborane Mes3B: synthesis, characterization and anion binding properties of Mes2B[(η6-Mes)FeCp]+","New Journal of Chemistry","2011","35","10","2299","","10.1039/c1nj20290a","","","0.71073","MoKα","","0.0508","0.0347","","","0.0581","0.0618","","","","","","0.863","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7053018","22.003","0.004","7.1308","0.0014","18.677","0.004","90","","90","","90","","2930.4","1","100","2","100","2","","","","","","","Claudia Caltagirone","4","P n a 21","P 2c -2n","33","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C144 H112 N32 O8 -","8","2","","Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea","Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly","New Journal of Chemistry","2013","37","3","663","","10.1039/c2nj40877e","","","0.71075","MoKα","","0.0859","0.0624","","","0.1016","0.1085","","","","","","1.044","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053174","37.6265","0.0011","7.2895","0.0002","12.4055","0.0004","90","","90","","90","","3402.56","0.18","180","","180","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H34 N12 O21 Zr -","- C20 H34 N12 O21 Zr -","- C80 H136 N48 O84 Zr4 -","4","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0376","0.0296","","0.0346","0.0316","0.0309","","","","","","1.0823","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053404","18.62","0.003","16.793","0.002","9.9862","0.0009","90","","90","","90","","3122.5","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H41 B N2 -","- C38 H41 B N2 -","- C152 H164 B4 N8 -","4","1","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Amidinium based ionic liquids","New Journal of Chemistry","2010","34","6","1184","","10.1039/b9nj00625g","","","0.71073","MoKα","","0.0539","0.0357","","","0.0773","0.0843","","","","","","1.013","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053434","19.3","0.002","12.239","0.002","11.804","0.001","90","","90","","90","","2788.3","0.6","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H38 N2 O4 -","- C29 H38 N2 O4 -","- C116 H152 N8 O16 -","4","1","","Hobbs, Matthew G.; Forster, Taryn D.; Borau-Garcia, Javier; Knapp, Chrissy J.; Tuononen, Heikki M.; Roesler, Roland","The influence of electron delocalization upon the stability and structure of potential N-heterocyclic carbene precursors with 1,3-diaryl-imidazolidine-4,5-dione skeletons","New Journal of Chemistry","2010","34","7","1295","","10.1039/b9nj00771g","","","0.71073","MoKα","","0.0887","0.0551","","","0.1098","0.1275","","","","","","1.078","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053437","10.983","0.002","10.056","0.002","12.375","0.003","90","","90","","90","","1366.8","0.5","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","","Beyer, Beatrice; Ulbricht, Christoph; Winter, Andreas; Hager, Martin D.; Hoogenboom, Richard; Herzer, Nicole; Baumann, Stefan O.; Kickelbick, Guido; Görls, Helmar; Schubert, Ulrich S.","Unexpected metal-mediated oxidation of hydroxymethyl groups to coordinated carboxylate groups by bis-cyclometalated iridium(iii) centers","New Journal of Chemistry","2010","34","11","2622","","10.1039/b9nj00785g","","","0.71073","MoKα","","0.0515","0.0351","","","0.0911","0.1032","","","","","","1.086","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053484","10.1551","0.0012","19.124","0.002","15.2374","0.0018","90","","90","","90","","2959.2","0.6","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H36 N4 O6 Zn2 -","- C32 H36 N4 O6 Zn2 -","- C128 H144 N16 O24 Zn8 -","4","1","","García-Deibe, Ana M.; Fondo, Matilde; Ocampo, Noelia; Sanmartín, Jesús; Gómez-Fórneas, Esther","Design of chiral homodinuclear complexes based on the coordinating behaviour of some symmetric ligands","New Journal of Chemistry","2010","34","6","1073","","10.1039/c0nj00071j","","","0.71073","MoKα","","0.0368","0.0269","","","0.0561","0.0604","","","","","","1.074","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7053565","24.6744","0.0005","14.5575","0.0005","22.4021","0.0006","90","","90","","90","","8046.8","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C75 H83 N7 O21 Zn3 -","- C75 H83 N7 O21 Zn3 -","- C300 H332 N28 O84 Zn12 -","4","1","","Sapchenko, Sergey A.; Dybtsev, Danil N.; Samsonenko, Denis G.; Fedin, Vladimir P.","Synthesis, crystal structures, luminescent and thermal properties of two new metal‒organic coordination polymers based on zinc(ii) carboxylates","New Journal of Chemistry","2010","34","11","2445","","10.1039/c0nj00196a","","x-ray","0.71073","MoKα","","0.0501","0.0377","","","0.106","0.1127","","","","","","1.059","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053575","16.505","0.003","11.562","0.003","18.948","0.004","90","","90","","90","","3615.9","1.4","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H68 Al K N4 -","- C30 H68 Al K N4 -","- C120 H272 Al4 K4 N16 -","4","1","","Conway, Ben; García-Álvarez, Pablo; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Robertson, Stuart D.","Structural insights into mono-amido tris-alkyl potassium aluminates","New Journal of Chemistry","2010","34","8","1707","","10.1039/c0nj00226g","","","1.5418","CuKα","","0.1589","0.0783","","","0.1992","0.2606","","","","","","0.943","","","","has coordinates,has disorder","180089","2020-10-21","18:00:00",""
"7053608","17.365","0.004","5.9559","0.0012","35.48","0.007","90","","90","","90","","3669.5","1.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H29 B Fe N2 -","- C18 H29 B Fe N2 -","- C144 H232 B8 Fe8 N16 -","8","2","","Corrente, Andrea M.; Chivers, Tristram","Syntheses and structures of new alkali-metal boraamidinates and ferrocenyl aminoboranes","New Journal of Chemistry","2010","34","8","1751","","10.1039/c0nj00279h","","","0.71073","MoKα","","0.057","0.0428","","","0.0981","0.1121","","","","","","1.126","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053738","19.4965","0.0015","8.5428","0.0007","6.2274","0.0005","90","","90","","90","","1037.2","0.14","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","1-Methyl-4-cyanopyridinium methylsulfate","1-Methyl-4-cyanopyridinium methylsulfate","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C32 H40 N8 O16 S4 -","4","1","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.7749","synchrotronradiation","","0.0422","0.0352","","","0.1016","0.1177","","","","","","1.15","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7054034","17.5208","0.0003","16.5255","0.0003","15.1765","0.0003","90","","90","","90","","4394.2","0.14","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H34 B Br N2 O -","- C21 H34 B Br N2 O -","- C168 H272 B8 Br8 N16 O8 -","8","2","","Liu, Mengran; Ptaszek, Marcin; Mass, Olga; Minkler, Daniel F.; Sommer, Roger D.; Bhaumik, Jayeeta; Lindsey, Jonathan S.","Regioselective β-pyrrolic electrophilic substitution of hydrodipyrrin‒dialkylboron complexes facilitates access to synthetic models for chlorophyll f","New Journal of Chemistry","2014","38","4","1717","","10.1039/c3nj01508d","","","0.71073","","","0.0496","0.0455","","","","0.1119","","","","","","1.0686","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054089","23.6799","0.0004","9.7018","0.0002","10.2777","0.0001","90","","90","","90","","2361.17","0.07","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 Cu2 N6 O8 -","- C21 H24 Cu2 N6 O8 -","- C84 H96 Cu8 N24 O32 -","4","1","","He, Fang-Hong; Tao, Lin; Li, Xiao-Wen; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Syntheses and structures of new dicopper(ii) complexes bridged by N-(2-hydroxyphenyl)-N′-(3-aminopropyl)oxamide: DNA-binding properties and cytotoxic activities","New Journal of Chemistry","2012","36","10","2078","","10.1039/c2nj40397h","","","0.71073","MoKα","","0.0558","0.0372","","","0.0786","0.087","","","","","","1.026","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054124","20.874","0.013","20.426","0.012","4.638","0.003","90","","90","","90","","1978","2","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","3-chloro-lawsone oxime","","","- C10 H7 Cl N O3.5 -","- C10 H7 Cl N O3.5 -","- C80 H56 Cl8 N8 O28 -","8","2","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.1048","0.0808","","","0.1479","0.158","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054125","21.092","0.006","20.588","0.006","4.6388","0.0013","90","","90","","90","","2014.4","1","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","3-bromo-lawsone oxime","","","- C10 H6 Br N O3.63 -","- C10 H6 Br N O3.625 -","- C80 H48 Br8 N8 O29 -","8","2","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.0543","0.0425","","","0.0962","0.1019","","","","","","1.04","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054453","43.0383","0.0015","5.8461","0.0003","8.4347","0.0005","90","","90","","90","","2122.22","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 Fe N5 O7 -","- C21 H19 Fe N5 O7 -","- C84 H76 Fe4 N20 O28 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0822","0.0724","","","0.1647","0.1716","","","","","","1.091","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054457","22.3748","0.0009","5.7925","0.0003","19.342","0.001","90","","90","","90","","2506.8","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 Fe N5 O7 -","- C24 H25 Fe N5 O7 -","- C96 H100 Fe4 N20 O28 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0892","0.0551","","","0.1113","0.1322","","","","","","1.039","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054494","18.4043","0.0005","30.9956","0.0009","6.9963","0.0002","90","","90","","90","","3991.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H36 O13 Pb4 -","- C36 H36 O13 Pb4 -","- C144 H144 O52 Pb16 -","4","1","","Bo, Qi-Bing; Pang, Juan-Juan; Wang, Hong-Yan; Fan, Chun-Hua; Zhang, Zhen-Wei","In situ solvent and counteranion-induced synthesis, structural characterization and photoluminescence properties of Pb-based MOFs","New J. Chem.","2015","39","1","431","","10.1039/C4NJ01506A","","","0.71073","MoKα","","0.041","0.0354","","","0.0749","0.0778","","","","","","1.055","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054751","12.87751","0.00017","10.18562","0.00012","10.36536","0.00014","90","","90","","90","","1359.58","0.03","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","2-((4-methylpiperazin-1-yl)methyl)phenylboronic acid","","- C12 H21 B N2 O3 -","- C12 H21 B N2 O3 -","- C48 H84 B4 N8 O12 -","4","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0381","0.0373","","","0.1052","0.1064","","","","","","1.089","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054916","30.2538","0.0015","7.7757","0.0004","13.4669","0.0008","90","","90","","90","","3168","0.3","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","(Z)-2-(phenanthridin-6-yl)-1-phenylethenol difluoroboron","","- C21 H14 B F2 N O -","- C21 H14 B F2 N O -","- C168 H112 B8 F16 N8 O8 -","8","2","","Wu, Ding-Er; Lu, Xiao-Lin; Xia, Min","Study on the solution and solid-state fluorescence of novel BF2complexes with (Z)-2-[phenanthridin-6(5H)-ylidene]-1-phenylethanone and its derivatives as ligands","New J. Chem.","2015","39","8","6465","","10.1039/C5NJ00926J","","","0.71073","MoKα","","0.0525","0.0372","","","0.0771","0.0848","","","","","","1.059","","","","has coordinates","153251","2020-10-21","18:00:00",""
"7055007","24.425","0.005","5.3513","0.0011","22.945","0.005","90","","90","","90","","2999","1.1","123","1","123.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H31 Er O11 -","- C27 H31 Er O11 -","- C108 H124 Er4 O44 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1041","0.0627","","","0.1225","0.1337","","","","","","1.042","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055105","17.0999","0.0002","8.90736","0.0001","15.9119","0.0002","90","","90","","90","","2423.62","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H25 N3 O -","- C32 H25 N3 O -","- C128 H100 N12 O4 -","4","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.54184","CuKα","","0.0274","0.0268","","","0.067","0.0677","","","","","","1.042","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055200","26.7027","0.0014","3.8296","0.0002","13.3781","0.0007","90","","90","","90","","1368.05","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Roy, Manojit; Roy, Subhadip; Singh, Keisham Surjit; Kalita, Janmoni; Singh, S. Sureshkumar","Synthesis, characterization and anti-diabetic assay of diorganotin(iv) azo-carboxylates: crystal structure and topological studies of azo-dicarboxylic acid ligand and its cyclic tetranuclear dimethyltin(iv) complex","New J. Chem.","2016","40","2","1471","","10.1039/C5NJ02637G","","","0.71073","MoKα","","0.0913","0.0406","","","0.0749","0.0948","","","","","","1.01","","","","has coordinates","177886","2020-10-21","18:00:00",""
"7055260","19.491","0.004","25.892","0.005","8.9679","0.0018","90","","90","","90","","4525.7","1.6","223.15","","223.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H43 Cu N4 P2 -","- C56 H43 Cu N4 P2 -","- C224 H172 Cu4 N16 P8 -","4","1","","Liu, Xinfang; Li, Rongfang; Ma, Lufang; Feng, Xun; Ding, Yuqiang","Influences of the protonic state of an imidazole-phenanthroline ligand on the luminescence properties of copper(i) complexes: experimental and theoretical research","New J. Chem.","2016","40","1","619","","10.1039/C5NJ02100F","","","0.71073","MoKα","","0.1352","0.0805","","","0.1693","0.2007","","","","","","0.95","","","","has coordinates","173501","2020-10-21","18:00:00",""
"7055424","8.9068","0.0013","14.315","0.002","9.8311","0.0015","90","","90","","90","","1253.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0307","0.0302","","","0.0759","0.0763","","","","","","1.096","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055470","20.469","0.004","10.079","0.002","6.722","0.0013","90","","90","","90","","1386.8","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H12 B F2 N3 O -","- C17 H12 B F2 N3 O -","- C68 H48 B4 F8 N12 O4 -","4","1","","Sharma, Ritambhara; Lakshmi, Vellanki; Chatterjee, Tamal; Ravikanth, Mangalampalli","Effects of five membered aromatic heterocycles at the meso-position on the electronic properties of 3-pyrrolyl BODIPY","New J. Chem.","2016","40","7","5855","","10.1039/C6NJ00118A","","","0.71073","MoKα","","0.0557","0.0517","","","0.1406","0.1459","","","","","","0.986","","","","has coordinates","185570","2020-10-21","18:00:00",""
"7055480","19.109","0.004","8.808","0.0018","20.086","0.004","90","","90","","90","","3380.7","1.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C144 H120 Cl8 N16 O16 S8 -","8","2","","Sharafi-Kolkeshvandi, Mahnaz; Nematollahi, Davood; Nikpour, Farzad; Salahifar, Eslam","Electrochemical synthesis of 1-N-phenyl-4-(sulfonyl)benzene-1,2-diamine derivatives: a mild and regioselective protocol","New J. Chem.","2016","40","6","5442","","10.1039/C5NJ03514G","","","0.71073","MoKα","","0.0549","0.0344","","","0.0617","0.0654","","","","","","0.852","","","","has coordinates","183724","2020-10-21","18:00:00",""
"7055644","19.4113","0.0017","13.0587","0.0012","11.0459","0.001","90","","90","","90","","2800","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H33 Cl6 N6 Sc -","- C18 H33 Cl6 N6 Sc -","- C72 H132 Cl24 N24 Sc4 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.029","0.0257","","","0.0626","0.0642","","","","","","1.023","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055645","19.58","0.002","13.0359","0.0015","11.1656","0.0013","90","","90","","90","","2849.9","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H33 Cl6 N6 Y -","- C18 H33 Cl6 N6 Y -","- C72 H132 Cl24 N24 Y4 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71075","MoKα","","0.0429","0.0282","","","0.0454","0.0479","","","","","","0.797","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055764","13.0886","0.0003","18.8973","0.0005","15.2742","0.0004","90","","90","","90","","3777.91","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","HbimcaIPr2HBr","3,6-Di-tert-butyl-1,8-bis(3-isopropylimidazolium)carbazole dibromide","","- C35 H51 Br2 N5 O -","- C35 H51 Br2 N5 O -","- C140 H204 Br8 N20 O4 -","4","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0495","0.0334","","","0.0655","0.0699","","","","","","1.027","","","","has coordinates","188258","2020-10-21","18:00:00",""
"7055765","13.3028","0.0015","17.311","0.002","16.0809","0.0018","90","","90","","90","","3703.2","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","H(bimcaAllyl)2HBr","3,6-Di-tert-butyl-1,8-bis(3-(1-allyl)imidazolium)carbazole dibromide","","- C35 H49 Br2 N5 O2 -","- C35 H49 Br2 N5 O2 -","- C140 H196 Br8 N20 O8 -","4","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0785","0.0466","","","0.1023","0.1155","","","","","","1.035","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055888","19.2608","0.0004","7.1469","0.0001","17.3723","0.0004","90","","90","","90","","2391.38","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H16 N6 O4 Zn -","- C24 H16 N6 O4 Zn -","- C96 H64 N24 O16 Zn4 -","4","1","","Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study","New J. Chem.","2017","41","2","735","","10.1039/C6NJ02961B","","","0.71073","MoKα","","0.0458","0.0342","","","0.0788","0.0849","","","","","","1.045","","","","has coordinates","191699","2020-10-21","18:00:00",""
"7055948","16.8415","0.0003","20.4363","0.0004","16.1946","0.0003","90","","90","","90","","5573.82","0.18","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H28 F6 N8 O8 S2 Zn -","- C14 H28 F6 N8 O8 S2 Zn -","- C112 H224 F48 N64 O64 S16 Zn8 -","8","2","","Bolotin, Dmitrii S.; Il'in, Mikhail V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Trinuclear (aminonitrone)ZnII complexes as key intermediates in zinc(ii)-mediated generation of 1,2,4-oxadiazoles from amidoximes and nitriles","New J. Chem.","2017","41","5","1940","","10.1039/C6NJ03508F","","","0.71073","MoKα","","0.0489","0.042","","","0.0983","0.1023","","","","","","1.046","","","","has coordinates,has disorder","193867","2020-10-21","18:00:00",""
"7056070","15.033","0.014","8.92","0.01","13.208","0.012","90","","90","","90","","1771","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H11 Co N8 O S2 -","- C12 H11 Co N8 O S2 -","- C48 H44 Co4 N32 O4 S8 -","4","1","","Liu, Yu-Ling; Wu, De-Hong; Wang, Zhongxia; Zhang, Yi","Switchings of dielectric constant, second harmonic generation and polarization in a polar hybrid cyanometallate crystal","New J. Chem.","2017","41","8","3211","","10.1039/C6NJ03973A","","","0.71073","MoKα","","0.1095","0.0955","","","0.2817","0.2975","","","","","","1.153","","","","has coordinates,has disorder","196482","2020-10-21","18:00:00",""
"7056101","11.9211","0.0005","8.3391","0.0004","8.476","0.0004","90","","90","","90","","842.61","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C16 H12 N20 O24 -","4","1","","Ma, Qing; Jiang, Tao; Chi, Yu; Chen, Ya; Wang, Jun; Huang, Jinglun; Nie, Fude","A novel multi-nitrogen 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane based energetic cocrystal with 1-methyl-3,4,5-trinitropyrazole as a donor: experimental and theoretical investigations of intermolecular interactions","New J. Chem.","2017","","","","","10.1039/C6NJ03976F","","","0.71073","MoKα","","0.0499","0.0386","","","0.0796","0.0912","","","","","","1.044","","","","has coordinates","195533","2020-10-21","18:00:00",""
"7056159","11.8263","0.0017","8.2825","0.0012","10.2388","0.0015","90","","90","","90","","1002.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H7 Cl5 Mo N -","- C4 H7 Cl5 Mo N -","- C16 H28 Cl20 Mo4 N4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","","","","","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0248","0.0227","","","0.0392","0.0398","","","","","","1.083","","","","has coordinates","196571","2020-10-21","18:00:00",""
"7056260","23.952","0.007","4.0594","0.0013","12.531","0.004","90","","90","","90","","1218.4","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C44 H48 N16 O16 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0796","0.0538","","","0.1437","0.1609","","","","","","1.063","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056608","10.267","0.004","25.086","0.009","16.403","0.006","90","","90","","90","","4225","3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H40 N4 O6 -","- C44 H40 N4 O6 -","- C176 H160 N16 O24 -","4","1","","Paul, Parimal; Bhatt, Madhuri; Maity, Debdeep; Hingu, vinayak; Suresh, Eringathodi; Ganguly, Bishwajit","Functionalized calix[4]arene as colorimetric dual sensor for Cu(II) and cysteine in aqueous media: Experimental and computational study","New J. Chem.","2017","","","","","10.1039/C7NJ02537H","","","0.71073","MoKα","","0.1536","0.1106","","","0.2278","0.2492","","","","","","1.075","","","","has coordinates","200955","2020-10-21","18:00:00",""
"7056696","13.66","0.03","19.02","0.04","10.88","0.02","90","","90","","90","","2827","10","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H14 Fe N2 O2 -","- C16 H14 Fe N2 O2 -","- C128 H112 Fe8 N16 O16 -","8","2","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0653","0.0445","","","0.0822","0.0898","","","","","","0.921","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056728","27.649","0.003","7.2495","0.0009","21.908","0.002","90","","90","","90","","4391.3","0.8","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H28 N2 O3 Si -","- C26 H27.5 N2 O3 Si -","- C208 H220 N16 O24 Si8 -","8","2","","Singh, Gurjaspreet; Singh, Akshpreet; Singh, Jasbhinder; Aulakh, Darpandeep; Wriedt, Mario; Ruiz , Cristóbal Espinosa; Esteban, Maria A.; Sehgal, Rakesh; Goyal, Kapil; Sinha, Shweta","First synthesis of pyrene functionalized silatranes for mechanistic insight into their potential anti-parasitic and anti-oxidation activities","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03338A","","","0.71073","MoKα","","0.2031","0.05","","","0.072","0.096","","","","","","0.748","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7056848","13.3609","0.0004","10.8742","0.0004","3.7046","0.0001","90","","90","","90","","538.24","0.03","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","AOD-HY","AOD-Hydrazinium","","- C2 H7 N5 O2 -","- C2 H7 N5 O2 -","- C8 H28 N20 O8 -","4","1","","Kumar, A. Sudheer; Sasidharan, Nimesh; Ganguly, Rakesh; Leow, Dasheng; Hng, Huey Hoon","3-Amino-1,2,4(4H)-oxadiazol-5-one (AOD) and its nitrogen-rich salts: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","3","1840","","10.1039/C7NJ03950F","","","0.71073","MoKα","","0.032","0.0296","","","0.0712","0.073","","","","","","1.079","","","","has coordinates","230573","2020-10-21","18:00:00",""
"7056997","14.0313","0.0004","21.65","0.0006","12.1766","0.0003","90","","90","","90","","3698.98","0.17","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H36 F12 N4 O4 P2 S -","- C28 H36 F12 N4 O4 P2 S -","- C112 H144 F48 N16 O16 P8 S4 -","4","1","","Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd","Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis","New Journal of Chemistry","2018","42","7","4854","","10.1039/C7NJ04660J","","","1.54178","CuKα","","0.0439","0.0416","","","0.1115","0.1129","","","","","","0.994","","","","has coordinates","230420","2020-10-21","18:00:00",""
"7057046","8.6883","0.001","11.8246","0.0016","15.412","0.003","90","","90","","90","","1583.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C72 H64 N16 O8 -","8","2","","Tarai, Arup; Baruah, Jubaraj B.","Different self-assemblies and absorption‒emission properties of the picrate salts of aromatic amine or heterocycle linked oximes","New Journal of Chemistry","2018","42","6","4757","","10.1039/C7NJ04349J","","","0.71073","MoKα","","0.0455","0.036","","","0.0845","0.0899","","","","","","1.057","","","","has coordinates","230319","2020-10-21","18:00:00",""
"7057075","14.1319","0.0004","12.1283","0.0004","52.278","0.003","90","","90","","90","","8960.2","0.6","100","0.2","100","0.2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C39 H42 -","- C39 H42 -","- C468 H504 -","12","3","","Górski, Krzysztof; Mech-Piskorz, Justyna; Noworyta, Krzysztof; Leśniewska, Barbara; Pietraszkiewicz, Marek","Efficient synthesis of 5-oxatruxene and the unusual influence of oxygen heteroatom on its physico-chemical properties","New Journal of Chemistry","2018","42","8","5844","","10.1039/C7NJ04729K","","","1.54184","CuKα","","0.0717","0.0622","","","0.1737","0.1848","","","","","","1.012","","","","has coordinates,has disorder","230249","2020-10-21","18:00:00",""
"7057159","14.0396","0.0003","18.3594","0.0005","5.76067","0.00013","90","","90","","90","","1484.86","0.06","119.98","0.11","119.98","0.11","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N Se2 -","- C17 H13 N Se2 -","- C68 H52 N4 Se8 -","4","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","x-ray","1.54184","CuKα","","0.015","0.0147","","","0.0379","0.0381","","","","","","1.057","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057207","8.607","0.0002","25.0089","0.0005","7.619","0.0002","90","","90","","90","","1640","0.07","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H21 Cl N3 O5 P -","- C13 H21 Cl N3 O5 P -","- C52 H84 Cl4 N12 O20 P4 -","4","1","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","1.54178","CuKα","","0.0278","0.0264","","","0.0651","0.0659","","","","","","1.086","","","","has coordinates","230196","2020-10-21","18:00:00",""
"7057533","8.7913","0.0007","10.4651","0.0008","13.1287","0.0011","90","","90","","90","","1207.86","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Li, Yao; Huang, Wei; Yong, Juan; Huang, Shuaidan; Li, Yujie; Liu, Yang; Wu, Dayu","Aggregation-induced ratiometric emission and mechanochromic luminescence in a pyrene-benzohydrazonate conjugate","New Journal of Chemistry","2018","42","15","12644","","10.1039/C8NJ01379A","","","1.54178","CuKα","","0.0435","0.0388","","","0.0984","0.1027","","","","","","1.028","","","","has coordinates","230459","2020-10-21","18:00:00",""
"7057547","20.4789","0.0013","8.3667","0.0004","14.3809","0.0007","90","","90","","90","","2464","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H25 Cl2 Cu N5 O8 -","- C19 H25 Cl2 Cu N5 O8 -","- C76 H100 Cl8 Cu4 N20 O32 -","4","1","","Vieira, Adriana Pires; Wegermann, Camila Anchau; Da Costa Ferreira, Ana Maria","Comparative studies of Schiff base-copper(ii) and zinc(ii) complexes regarding their DNA binding ability and cytotoxicity against sarcoma cells","New Journal of Chemistry","2018","42","15","13169","","10.1039/C7NJ04799A","","","0.71073","MoKα","","0.0542","0.0443","","","0.1161","0.1237","","","","","","0.978","","","","has coordinates,has disorder","230451","2020-10-21","18:00:00",""
"7057636","13.898","0.002","12.655","0.003","14.221","0.003","90","","90","","90","","2501.2","0.9","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H23 N9 O5 S2 Zn -","- C20 H23 N9 O5 S2 Zn -","- C80 H92 N36 O20 S8 Zn4 -","4","1","","Boughougal, Amina; Cherchali, Fatma Zohra; Messai, Amel; Attik, Nina; Decoret, Dominique; Hologne, Maggy; Sanglar, Corinne; Pilet, Guillaume; Tommasino, Jean Bernard; Luneau, Dominique","New model of metalloantibiotic: synthesis, structure and biological activity of a zinc(ii) mononuclear complex carrying two enrofloxacin and sulfadiazine antibiotics","New Journal of Chemistry","2018","42","18","15346","","10.1039/C8NJ01774C","","","0.71069","MoKα","","0.0701","0.0469","","0.086","0.0611","0.066","","","","","","1.0607","","","","has coordinates","230486","2020-10-21","18:00:00",""
"7057896","9.6713","0.0004","9.0619","0.0004","15.8838","0.0007","90","","90","","90","","1392.06","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Smirnov, Andrey S.; Martins, Luísa M. D. R. S.; Nikolaev, Dmitriy N.; Manzhos, Roman A.; Gurzhiy, Vlad V.; Krivenko, Alexander G.; Nikolaenko, Kirill O.; Belyakov, Alexander V.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Structure and catalytic properties of novel copper isatin Schiff base complexes","New Journal of Chemistry","2019","43","1","188","","10.1039/C8NJ02718H","","","0.71073","MoKα","","0.0311","0.0299","","","0.0741","0.0751","","","","","","1.071","","","","has coordinates","224746","2020-10-21","18:00:00",""
"7058030","14.632","0.005","15.54","0.004","9.194","0.003","90","","90","","90","","2090.5","1.1","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H16 O9 Ru2 -","- C19 H16 O9 Ru2 -","- C76 H64 O36 Ru8 -","4","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Unexpected formation and conversion: role of substituents of 1,3-ynones in the reactivity and product distribution during their reactions with Ru3(CO)12","New Journal of Chemistry","2019","43","3","1478","","10.1039/C8NJ05573D","","","0.71073","MoKα","","0.025","0.0233","","","0.0567","0.0576","","","","","","1.12","","","","has coordinates","225010","2020-10-21","18:00:00",""
"7058063","15.9976","0.0006","7.1424","0.0003","13.7123","0.0005","90","","90","","90","","1566.78","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Br3 F N2 Pt -","- C12 H16 Br3 F N2 Pt -","- C48 H64 Br12 F4 N8 Pt4 -","4","1","","Lázaro, Ariadna; Serra, Oriol; Rodríguez, Laura; Crespo, Margarita; Font-Bardia, Mercè","Luminescence studies of new [C,N,N′] cyclometallated platinum(ii) and platinum(iv) compounds","New Journal of Chemistry","2019","43","3","1247","","10.1039/C8NJ05492D","","","0.71073","MoKα","","0.0376","0.03","","","0.0673","0.0707","","","","","","1.046","","","","has coordinates","225015","2020-10-21","18:00:00",""
"7058090","22.358","0.007","5.9648","0.0018","21.456","0.007","90","","90","","90","","2861.4","1.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H25 Cu F N6 O3 -","- C34 H25 Cu F N6 O3 -","- C136 H100 Cu4 F4 N24 O12 -","4","1","","Wang, Jun; Xu, Guan-Cheng; Zhang, Yan-Ping; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng","Copper(ii) complexes with 4-acyl pyrazolone derivatives and diimine coligands: synthesis, structural characterization, DNA binding and antitumor activity","New Journal of Chemistry","2019","43","6","2529","","10.1039/C8NJ02695E","","","0.71073","MoKα","","0.0844","0.0682","","","0.1627","0.1737","","","","","","1.038","","","","has coordinates","224828","2020-10-21","18:00:00",""
"7058114","28.0267","0.0017","9.751","0.0006","11.3395","0.0007","90","","90","","90","","3099","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H41 B Ru -","- C40 H41 B Ru -","- C160 H164 B4 Ru4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Gasparetto, Giulia","Pentamethylcyclopentadienyl half-sandwich hydrazine complexes of ruthenium: preparation and reactivity","New Journal of Chemistry","2019","43","6","2676","","10.1039/C8NJ06019C","","","0.71073","MoKα","","0.0363","0.032","","","0.0691","0.0706","","","","","","1.089","","","","has coordinates","224830","2020-10-21","18:00:00",""
"7058190","15.956","0.0005","13.0167","0.0003","15.0075","0.0004","90","","90","","90","","3116.97","0.15","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C32 H31 F6 Fe N O P2 Pd -","- C32 H31 F6 Fe N O P2 Pd -","- C128 H124 F24 Fe4 N4 O4 P8 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents","New Journal of Chemistry","2019","43","11","4463","","10.1039/C9NJ00298G","","","0.71073","MoKα","","0.0521","0.0362","","","0.0734","0.0795","","","","","","1.025","","","","has coordinates","224977","2020-10-21","18:00:00",""
"7058308","25.367","0.0011","9.2268","0.0003","12.8639","0.0007","90","","90","","90","","3010.9","0.2","199.95","0.1","199.95","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H24 Mn2 N2 O6 S2 -","- C31 H24 Mn2 N2 O6 S2 -","- C124 H96 Mn8 N8 O24 S8 -","4","1","","Kumar, Udit; Jose, Shilpa; Divya, Dhanaraj; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.","Self-assembly of manganese(i) based thiolato bridged dinuclear metallacycles: synthesis, characterization, cytotoxicity evaluation and CO-releasing studies","New Journal of Chemistry","2019","43","19","7520","","10.1039/C8NJ06271D","","","0.71073","MoKα","","0.0542","0.0372","","","0.0948","0.1058","","","","","","1.0313","","","","has coordinates,has disorder","224835","2020-10-21","18:00:00",""
"7058366","24.7841","0.0009","20.5732","0.0008","8.1565","0.0003","90","","90","","90","","4158.9","0.3","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C100 H62 F12 Ir2 N8 O P2 S4 -","- C100 H62 F12 Ir2 N8 O P2 S4 -","- C200 H124 F24 Ir4 N16 O2 P4 S8 -","2","0.5","","Su, Ning; Yang, Hui-Qing; Zheng, You-Xuan; Chen, Zhao-Xu","Sulfur atom containing ligands induced rapid room temperature synthesis of red iridium(iii) complexes with Ir‒S‒P‒S structures for OLEDs","New Journal of Chemistry","2019","43","22","8722","","10.1039/C9NJ01599J","","","0.71073","MoKα","","0.038","0.0323","","","0.0832","0.0865","","","","","","1.031","","","","has coordinates,has disorder","224695","2020-10-21","18:00:00",""
"7058699","15.733","0.005","15.024","0.005","10.024","0.005","90","","90","","90","","2369.4","1.6","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H21 Br2 Cl Fe N3 O2 -","- C20 H21 Br2 Cl Fe N3 O2 -","- C80 H84 Br8 Cl4 Fe4 N12 O8 -","4","1","","Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan","Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes","New Journal of Chemistry","2019","43","35","13916","","10.1039/C9NJ03087E","","","0.71073","MoKα","","0.0535","0.0381","","","0.0922","0.0954","","","","","","0.961","","","","has coordinates","224955","2020-10-21","18:00:00",""
"7058767","16.6016","0.0004","24.2609","0.0006","6.07906","0.00011","90","","90","","90","","2448.46","0.1","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H24 F I N4 O2 S -","- C26 H24 F I N4 O2 S -","- C104 H96 F4 I4 N16 O8 S4 -","4","1","","Re He Man, Xi Jia Ai Ti; Liu, Yong Chun; Li, Xiao Xiao; Zhao, Zhi Gang","Highly N2-selective allylation of NH-1,2,3-triazoles with allenamides mediated by N-iodosuccinimide","New Journal of Chemistry","2019","43","37","14739","","10.1039/C9NJ03014J","","x-ray","1.54184","CuKα","","0.0588","0.0575","","","0.1498","0.1522","","","","","","1.036","","","","has coordinates","224700","2020-10-21","18:00:00",""
"7058803","20.284","0.006","21.511","0.006","8.717","0.004","90","","90","","90","","3803","2","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 O4 P2 S3 -","- C16 H18 O4 P2 S3 -","- C128 H144 O32 P16 S24 -","8","2","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0827","0.0535","","","0.1138","0.1282","","","","","","1.052","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058807","20.284","0.004","21.511","0.006","8.717","0.006","90","","90","","90","","3803","3","120","2","120.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 O4 P2 S3 -","- C16 H18 O4 P2 S3 -","- C128 H144 O32 P16 S24 -","8","2","","Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz","Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions","New Journal of Chemistry","2019","43","38","15413","","10.1039/C9NJ03682B","","","0.71073","MoKα","","0.0731","0.0467","","","0.0973","0.1082","","","","","","1.044","","","","has coordinates","224987","2020-10-21","18:00:00",""
"7058914","25.0084","0.0005","9.5461","0.0002","14.841","0.0003","90","","90","","90","","3543.03","0.13","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H36 Co N6 O5 S2 -","- C37 H36 Co N6 O5 S2 -","- C148 H144 Co4 N24 O20 S8 -","4","1","","Oloyede, Hammed Olawale; Woods, Joseph A. O.; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde","Necessity of free and uncrowded coordination environments in biomimetic complex models: oxidative coupling by mixed-ligand cobalt(II) complexes of diazene-disulfonamide","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04396A","","","0.71073","MoKα","","0.0654","0.0486","","","0.0994","0.1071","","","","","","1.06","","","","has coordinates","220349","2020-10-21","18:00:00",""
"7058937","14.6007","0.0014","15.0584","0.0014","8.085","0.0007","90","","90","","90","","1777.6","0.3","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(1-amino-5-methyltetrazolyl) copper(II) styphnate","bis(1-amino-5-methyltetrazolyl) copper(II) styphnate","","- C10 H11 Cu N13 O8 -","- C10 H11 Cu N13 O8 -","- C40 H44 Cu4 N52 O32 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71069","MoKα","","0.1101","0.058","","","0.0693","0.0847","","","","","","1.026","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058945","15.2566","0.0009","14.7433","0.0007","8.135","0.0005","90","","90","","90","","1829.83","0.18","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","di(1-amino-5-methyltetrazolyl) 5-hydroxy-2,4,6-trinitresorcinato copper(II)","di(1-amino-5-methyltetrazolyl) 5-hydroxy-2,4,6-trinitresorcinato copper(II)","","- C10 H11 Cu N13 O9 -","- C10 H11 Cu N13 O9 -","- C40 H44 Cu4 N52 O36 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","","0.71073","MoKα","","0.1406","0.0668","","","0.0843","0.1062","","","","","","0.988","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7059007","9.5165","0.0009","8.7913","0.0008","20.3743","0.0019","90","","90","","90","","1704.6","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H15 Cl N12 O5 -","- C9 H15 Cl N12 O5 -","- C36 H60 Cl4 N48 O20 -","4","1","","Yang, Zhen-Li; Wang, Zhen; Cao, Wenli; Li, Tong; Yang, Junqing; Zhang, Jianguo","New green energetic materials based on unsymmetrically substituted pyrazole-tetrazine and hydroperchlorate thereof","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04519H","","","0.71073","MoKα","","0.0921","0.0473","","","0.1028","0.1201","","","","","","1.002","","","","has coordinates","223440","2020-10-21","18:00:00",""
"7059065","14.586","0.0004","14.6224","0.0004","7.9425","0.0003","90","","90","","90","","1693.99","0.09","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N3 Se -","- C18 H19 N3 Se -","- C72 H76 N12 Se4 -","4","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.083","0.049","","","0.0693","0.0848","","","","","","1.0276","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059233","18.0711","0.0012","5.8758","0.0004","12.1915","0.0008","90","","90","","90","","1294.52","0.15","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H15 Fe N O0.75 S1.25 -","- C14 H15 Fe N O0.75 S1.25 -","- C56 H60 Fe4 N4 O3 S5 -","4","1","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","","0.71073","MoKα","","0.0614","0.0414","","","0.0612","0.0679","","","","","","1.03","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059293","15.86","0.003","10.73","0.002","5.8704","0.0012","90","","90","","90","","999","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","1.54178","CuKα","","0.1578","0.12","","","0.3536","0.3807","","","","","","1.574","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059297","13.6037","0.001","11.6379","0.0009","7.3569","0.0004","90","","90","","90","","1164.73","0.14","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","0.71073","MoKα","","0.0504","0.0312","","","0.0562","0.0582","","","","","","0.856","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059372","22.398","0.005","9.4469","0.0019","7.4776","0.0015","90","","90","","90","","1582.2","0.6","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 Cl2 O2 -","- C18 H16 Cl2 O2 -","- C72 H64 Cl8 O8 -","4","1","","Rahmatpour, Ali","Regioselective condensation of hydroxyaromatic compounds with 2,5-dimethoxytetrahydrofuran: facile one-pot synthesis of new substituted diaryl-fused 2,8-dioxabicyclo[3.3.2]nonanes comprising central ketal moieties","New Journal of Chemistry","2020","44","12","4834","4841","10.1039/C9NJ06232G","","","0.71073","MoKα","","0.0762","0.0447","","","0.0688","0.075","","","","","","0.894","","","","has coordinates","257894","2020-10-21","18:00:00",""
"7059471","11.2104","0.0006","4.0802","0.0002","48.882","0.003","90","","90","","90","0.006","2235.9","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H6 Br N S Te -","- C11 H6 Br N S Te -","- C88 H48 Br8 N8 S8 Te8 -","8","2","","Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide","Non-covalent bridging of bithiophenes through chalcogen bonding grips","New Journal of Chemistry","2020","44","17","6732","6738","10.1039/C9NJ06202E","","","0.71073","MoKα","","0.0918","0.0683","","","0.1513","0.174","","","","","","1.056","","","","has coordinates","257746","2020-10-21","18:00:00",""
"7059591","8.2558","0.0012","24.884","0.004","17.45","0.002","90","","90","","90","","3584.9","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N3 S -","- C22 H17 N3 S -","- C176 H136 N24 S8 -","8","2","","Shaikh, Ahad; Mukherjee, Pallabi; Ta, Sabyasachi; Bhattacharyya, Arunasis; Ghosh, Abhijit; Das, Debasis","Oxidative cyclization of thiosemicarbazide: a chemodosimetric approach for the highly selective fluorescence detection of cerium(iv)","New Journal of Chemistry","2020","44","22","9452","9455","10.1039/D0NJ01100B","","","0.71073","MoKα","","0.0984","0.0512","","","0.1072","0.1298","","","","","","1.009","","","","has coordinates","257662","2020-10-21","18:00:00",""
"7059624","18.552","0.004","20.072","0.004","6.0258","0.0012","90","","90","","90","","2243.9","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H28 N4 S2 -","- C22 H28 N4 S2 -","- C88 H112 N16 S8 -","4","1","","Moghaddam, Firouz Matloubi; Goudarzi, Mehri; Chamani, Fatemeh; Dezag, Hamid Mohammadzadeh","A new Mumm-type rearrangement with dithiocarbamates via isocyanide-based multicomponent reaction under ultrasound irradiation: synthesis of polysubstituted pyrrolidine compounds","New Journal of Chemistry","2020","44","23","9699","9702","10.1039/D0NJ00691B","","x-ray","0.71073","MoKα","","0.1033","0.0776","","","0.1865","0.1966","","","","","","1.108","","","","has coordinates","257860","2020-10-21","18:00:00",""
"7059670","19.7732","0.0006","8.4372","0.0002","16.5014","0.0014","90","","90","","90","","2752.9","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C27 H22 F6 N O4 P S2 -","- C27 H22 F6 N O4 P S2 -","- C108 H88 F24 N4 O16 P4 S8 -","4","1","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","0.71073","MoKα","","0.0466","0.0328","","","0.0593","0.0612","","","","","","0.92","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7059843","16.1767","0.0009","8.7841","0.0005","21.7797","0.0012","90","","90","","90","","3094.8","0.3","293.15","","293.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H21 B F16 I2 N2 O2 -","- C24 H21 B F16 I2 N2 O2 -","- C96 H84 B4 F64 I8 N8 O8 -","4","1","","Maity, Apurba; Sarkar, Anirban; Bhaktha B. N, Shivakiran; Patra, Sanjib K.","Design and synthesis of perfluoroalkyl decorated BODIPY dye for random laser action in a microfluidic device","New Journal of Chemistry","2020","44","34","14650","14661","10.1039/D0NJ03108A","","x-ray","0.71073","MoKα","","0.0544","0.0478","","","0.1024","0.1054","","","","","","1.059","","","","has coordinates,has disorder","257883","2020-10-21","18:00:00",""
"7059945","19.632","0.001","5.7579","0.0003","18.7135","0.0011","90","","90","","90","","2115.4","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","2","","Peerzada, Mudasir Nabi; Khan, Parvez; Khan, Nashrah Sharif; Gaur, Aysha; Avecilla, Fernando; Hassan, Md. Imtaiyaz; Azam, Amir","Identification of morpholine based hydroxylamine analogues: selective inhibitors of MARK4/Par-1d causing cancer cell death through apoptosis","New Journal of Chemistry","2020","44","38","16626","16637","10.1039/D0NJ03474F","","","0.71073","MoKα","","0.0777","0.0472","","","0.0944","0.1079","","","","","","1.041","","","","has coordinates","258938","2020-11-06","12:51:29",""
"7060084","7.2856","0.0001","17.1489","0.0002","9.9031","0.0001","90","","90","","90","","1237.29","0.03","100","0.1","100","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H12 Cl N O2 Pt S -","- C11 H12 Cl N O2 Pt S -","- C44 H48 Cl4 N4 O8 Pt4 S4 -","4","1","","Shao, Tai-Ming; Wei, Zu-Zhuang; Luo, Xiao-Ling; Qin, Qi-Pin; Tan, Ming-Xiong; Zeng, Jia-Jing; Liang, Chun-Jie; Liang, Hong","High cytotoxic and apoptotic effects of platinum(ii) complexes bearing the 4-acridinol ligand","New Journal of Chemistry","2020","44","45","19885","19890","10.1039/D0NJ04753H","","x-ray","1.54184","CuKα","","0.0245","0.0236","","","0.0583","0.0592","","","","","","1.074","","","","has coordinates","259420","2020-12-02","04:48:36",""
"7060109","13.2083","0.0011","9.7083","0.0008","10.6102","0.0007","90","","90","","90","","1360.55","0.18","150","2","150","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C16 H13 Cl Fe N2 O -","- C16 H13 Cl Fe N2 O -","- C64 H52 Cl4 Fe4 N8 O4 -","4","1","","Wilde, Myron; Arzur, Danielle; Baratte, Blandine; Lefebvre, Dorian; Robert, Thomas; Roisnel, Thierry; Le Jossic-Corcos, Catherine; Bach, Stéphane; Corcos, Laurent; Erb, William","Regorafenib analogues and their ferrocenic counterparts: synthesis and biological evaluation","New Journal of Chemistry","2020","44","45","19723","19733","10.1039/D0NJ05334A","","x-ray","0.71073","MoKα","","0.0251","0.0236","","","0.0633","0.0649","","","","","","0.904","","","","has coordinates","259428","2020-12-02","04:56:08",""
"7060146","20.281","0.0016","19.8627","0.0015","13.2758","0.001","90","","90","","90","","5348","0.7","296","2","296","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C6 H18 Cs3 Mo6 Na3 O40 P Ru S3 V3 -","- C6 H18 Cs3 Mo6 Na3 O40 P Ru S3 V3 -","- C24 H72 Cs12 Mo24 Na12 O160 P4 Ru4 S12 V12 -","4","1","","Shi, Hao-Yu; Zhou, Wen-Yan; Song, Xiao-Ming; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Ruthenium(ii)-supported phosphovanadomolybdates [Ru(dmso)3PMo6V3O32]6− and [Ru(PMo6V3O32)2]14−, and their use as heterogeneous catalysts for oxidation of alcohols","New Journal of Chemistry","2021","45","3","1551","1555","10.1039/D0NJ05752E","","","0.71073","MoKα","","0.0539","0.0526","","","0.1354","0.1359","","","","","","1.154","","","","has coordinates","261751","2021-02-04","23:29:15",""
"7060266","15.7632","0.0016","6.4133","0.0006","46.61","0.004","90","","90","","90","","4712","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H29 N3 O3 S2 -","- C24 H29 N3 O3 S2 -","- C192 H232 N24 O24 S16 -","8","2","","Du, Rongkai; Xu, Juan; Li, Jing; Zhang, Lei; Ning, Lifeng; Li, Shan","Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly","New Journal of Chemistry","2021","45","3","1474","1481","10.1039/D0NJ05052K","","x-ray","0.71073","MoKα","","0.1292","0.0853","","","0.16","0.1854","","","","","","1.042","","","","has coordinates","261746","2021-02-04","23:28:39",""
"7060322","16.9881","0.0006","15.2425","0.0005","7.7375","0.0002","90","","90","","90","","2003.56","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H18 O Sn -","- C25 H18 O Sn -","- C100 H72 O4 Sn4 -","4","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0301","0.0259","","","0.0551","0.057","","","","","","1.071","","","","has coordinates,has disorder","262671","2021-03-05","02:14:42",""
"7060407","18.654","0.0005","10.7253","0.0003","20.2024","0.0006","90","","90","","90","","4041.9","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Ruthenium phenanthroline compound","Ruthenium phenanthroline compound","","- C40 H28 F12 N8 P2 Ru -","- C40 H28 F12 N8 P2 Ru -","- C160 H112 F48 N32 P8 Ru4 -","4","1","","Deshpande, Megha S.; Morajkar, Sudesh M.; Srinivasan, Bikshandarkoil R.; Ahirwar, Mini Bharati; Deshmukh, Milind M.","Effect of the electronic structure on the robustness of ruthenium(ii) bis-phenanthroline compounds for photodissociation of the co-ligand: synthesis, structural characterization, and density functional theory study","New Journal of Chemistry","2021","45","12","5437","5451","10.1039/D0NJ05921H","","","0.71073","MoKα","","0.0356","0.0289","","","0.0672","0.0732","","","","","","1.051","","","","has coordinates","263815","2021-04-05","15:12:21",""
"7060488","15.83567","0.00008","15.85744","0.00008","7.877","0.00003","90","","90","","90","","1978.02","0.016","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 N Se -","- C27 H17 N Se -","- C108 H68 N4 Se4 -","4","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","1.54184","CuKα","","0.0315","0.0314","","","0.086","0.0861","","","","","","1.05","","","","has coordinates","264915","2021-05-05","08:54:01",""
"7060536","7.2429","0.0017","16.825","0.004","10.555","0.003","90","","90","","90","","1286.3","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H3 La O11 S -","- C8 H3 La O11 S -","- C32 H12 La4 O44 S4 -","4","1","","Kanti Das, Sabuj; Ghosh, Anirban; Bhattacharjee, Sudip; Chowdhury, Avik; Mitra, Partha; Bhaumik, Asim","A new 2D lanthanum based microporous MOF for efficient synthesis of cyclic carbonates through CO2 fixation","New Journal of Chemistry","2021","45","20","9189","9196","10.1039/D1NJ00601K","","","0.71073","MoKα","","0.0237","0.0217","","","0.0545","0.0556","","","","","","1.093","","","","has coordinates","266142","2021-06-05","19:21:50",""
"7060630","19.4982","0.0005","15.0587","0.0005","20.7916","0.0005","90","","90","","90","","6104.8","0.3","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","dinitrato di(1-cyclopropyl-5H-tetrazolyl) copper(II)","dinitrato di(1-cyclopropyl-5H-tetrazolyl) copper(II)","","- C16 H24 Cu2 N20 O12 -","- C16 H24 Cu2 N20 O12 -","- C128 H192 Cu16 N160 O96 -","8","2","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.1089","0.059","","","0.094","0.1121","","","","","","1.021","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060670","18.1046","0.0003","8.3016","0.0001","26.1934","0.0004","90","","90","","90","","3936.79","0.1","100","0.2","100","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H65 N3 P2 -","- C40 H65 N3 P2 -","- C160 H260 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0435","0.0358","","","0.089","0.0929","","","","","","1.064","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060700","8.1785","0.0014","25.516","0.004","12.111","0.002","90","","90","","90","","2527.4","0.7","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H21 Br N2 O3 -","- C27 H21 Br N2 O3 -","- C108 H84 Br4 N8 O12 -","4","1","","Yue, Guizhou; Jiang, Dan; Dou, Zhengjie; Li, Sicheng; Feng, Juhua; Zhang, Li; Chen, Huabao; Yang, Chunping; Yin, Zhongqiong; Song, Xu; Liang, Xiaoxia; Wang, Xianxiang; Lu, Cuifen","Rapid umpolung Michael addition of isatin N,N′-cyclic azomethine imine 1,3-dipoles with chalcones","New Journal of Chemistry","2021","45","26","11712","11718","10.1039/D1NJ00960E","","","0.71073","MoKα","","0.114","0.0776","","","0.2335","0.2613","","","","","","1.085","","","","has coordinates","268880","2021-09-06","12:07:24",""
"7060789","13.8873","0.0008","12.4918","0.0007","7.967","0.0004","90","","90","","90","","1382.09","0.13","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H11 Cl2 Cu N3 Se -","- C11 H11 Cl2 Cu N3 Se -","- C44 H44 Cl8 Cu4 N12 Se4 -","4","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.56086","AgKα","","0.0505","0.0361","","","0.0815","0.0872","","","","","","1.045","","","","has coordinates,has disorder","268832","2021-09-06","11:56:48",""
"7061125","18.2363","0.0005","7.2361","0.0002","19.5525","0.0006","90","","90","","90","","2580.14","0.13","273","","273","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H22 Cl2 Co N10 -","- C26 H22 Cl2 Co N10 -","- C104 H88 Cl8 Co4 N40 -","4","1","","Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Giri, Bishnubasu; Maji, Somnath","High phenoxazinone synthase activity of two mononuclear cis-dichloro cobalt(ii) complexes with a rigid pyridyl scaffold","New Journal of Chemistry","2022","46","2","521","532","10.1039/D1NJ03992J","","","1.54184","CuKα","","0.0686","0.0638","","","0.1589","0.1651","","","","","","1.076","","","","has coordinates","272730","2022-02-04","19:55:56",""
"7061166","16.854","0.002","22.397","0.002","5.6423","0.0005","90","","90","","90","","2129.8","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 Br2 N2 O2 -","- C25 H18 Br2 N2 O2 -","- C100 H72 Br8 N8 O8 -","4","1","","Yin, Zhi-Gang; Liu, Xiong-Wei; Wang, Hui-Juan; Zhang, Min; Liu, Xiong-Li; Zhou, Ying","Design, synthesis and evaluation of structurally diverse ortho-acylphenol-diindolylmethane hybrids as anticancer agents","New Journal of Chemistry","2022","46","3","1295","1307","10.1039/D1NJ05170A","","x-ray","0.71073","MoKα","","0.0711","0.0412","","","0.0708","0.0802","","","","","","1.016","","","","has coordinates","272738","2022-02-04","19:56:42",""
"7061285","17.57166","0.00018","14.50525","0.00017","9.46339","0.0001","90","","90","","90","","2412.04","0.05","149.98","0.1","149.98","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10.4 H14 O0.8 P0.4 Se0.4 -","- C10.4 H14 O0.8 P0.4 Se0.4 -","- C104 H140 O8 P4 Se4 -","10","2.5","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.0252","0.0249","","","0.0654","0.0656","","","","","","1.047","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061294","12.5535","0.0002","12.2303","0.0002","7.2491","0.0001","90","","90","","90","","1112.98","0.03","99.97","0.11","99.97","0.11","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0259","0.0256","","","0.0692","0.0697","","","","","","1.057","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061295","12.5855","0.0002","12.2723","0.0002","7.3106","0.0001","90","","90","","90","","1129.14","0.03","180","0.1","180","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0275","0.0269","","","0.0771","0.0777","","","","","","1.085","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061296","12.447","0.0003","12.3034","0.0003","7.4227","0.0002","90","","90","","90","","1136.72","0.05","260","0.1","260","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.89 H11.67 N2 O0.88 -","- C12.884 H11.652 N2 O0.882 -","- C51.536 H46.608 N8 O3.528 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0411","0.0367","","","0.1112","0.1173","","","","","","1.055","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061297","12.4276","0.0003","12.2735","0.0002","7.3763","0.0001","90","","90","","90","","1125.11","0.04","220.01","0.1","220.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.87 H11.61 N2 O0.88 -","- C12.868 H11.604 N2 O0.878 -","- C51.472 H46.416 N8 O3.512 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0356","0.033","","","0.1009","0.1039","","","","","","1.077","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061298","12.5682","0.0002","12.2501","0.0002","7.2778","0.0001","90","","90","","90","","1120.5","0.03","140.01","0.1","140.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0272","0.0267","","","0.0745","0.0751","","","","","","1.058","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061299","12.61","0.0002","12.3302","0.0003","7.3919","0.0001","90","","90","","90","","1149.32","0.04","260","0.1","260","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0314","0.0298","","","0.0924","0.0944","","","","","","1.07","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061300","12.4062","0.0003","12.2515","0.0003","7.3365","0.0001","90","","90","","90","","1115.11","0.04","180","0.1","180","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.86 H11.57 N2 O0.87 -","- C12.855 H11.565 N2 O0.873 -","- C51.42 H46.26 N8 O3.492 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.034","0.032","","","0.0922","0.0946","","","","","","1.041","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061301","12.4634","0.0005","12.3362","0.0005","7.4618","0.0002","90","","90","","90","","1147.26","0.07","290","0.1","290","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.9 H11.7 N2 O0.88 -","- C12.902 H11.706 N2 O0.885 -","- C51.608 H46.824 N8 O3.54 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0485","0.0417","","","0.1305","0.1401","","","","","","1.037","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061302","12.6139","0.0003","12.3565","0.0004","7.4286","0.0002","90","","90","","90","","1157.85","0.06","290","0.1","290","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.036","0.0333","","","0.1","0.1033","","","","","","1.073","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061303","12.3562","0.0004","12.219","0.0003","7.2704","0.0002","90","","90","","90","","1097.69","0.05","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.84 H11.53 N2 O0.87 -","- C12.843 H11.529 N2 O0.871 -","- C51.372 H46.116 N8 O3.484 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0353","0.0345","","","0.1009","0.1018","","","","","","1.097","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061304","12.3815","0.0003","12.2324","0.0003","7.3018","0.0001","90","","90","","90","","1105.9","0.04","140.01","0.1","140.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.85 H11.53 N2 O0.87 -","- C12.844 H11.532 N2 O0.872 -","- C51.376 H46.128 N8 O3.488 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0328","0.0313","","","0.091","0.0927","","","","","","1.065","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061305","12.6025","0.0002","12.2998","0.0002","7.3502","0.0001","90","","90","","90","","1139.34","0.03","220","0.1","220","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0294","0.0283","","","0.0818","0.0835","","","","","","1.034","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061431","30.054","0.003","11.0969","0.001","25.405","0.002","90","","90","","90","","8472.7","1.3","273","2","273.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H40 Cl2 N6 O13 Ru -","- C37 H34 Cl2 N6 O10 Ru -","- C296 H272 Cl16 N48 O80 Ru8 -","8","2","","Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh","Development of a ruthenium–aquo complex for utilization in synthesis and catalysis for selective hydration of nitriles and alkynes","New Journal of Chemistry","2022","46","19","9098","9110","10.1039/D1NJ04736A","","","0.71073","MoKα","","0.0836","0.0612","","","0.1359","0.1491","","","","","","1.058","","","","has coordinates,has disorder","275794","2022-06-06","01:53:13",""
"7061475","16.4758","0.001","11.0289","0.0008","24.904","0.002","90","","90","","90","","4525.3","0.6","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H40 F2 N10 O4 -","- C54 H40 F2 N10 O4 -","- C216 H160 F8 N40 O16 -","4","1","","Mayakrishnan, Sivakalai; Kathirvelan, Devarajan; Arun, Yuvaraj; Saranraj, Krishnan; Balachandran, Chandrasekaran; Aoki, Shin; Yuvaraj, Pannerselvam; Maheswarai, Narayanan Uma","Design and synthesis of spirooxindole–pyrrolidines embedded with indole and pyridine heterocycles by multicomponent reaction: anticancer and in silico studies","New Journal of Chemistry","2022","46","21","10089","10106","10.1039/D1NJ05839H","","","0.71073","MoKα","","0.077","0.0463","","","0.0994","0.1143","","","","","","1.091","","","","has coordinates,has disorder","275816","2022-06-06","01:59:16",""
"7061492","19.448","0.005","10.825","0.003","22.041","0.005","90","","90","","90","","4640","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H24 N3 O2 S -","- C27 H24 N3 O2 S -","- C216 H192 N24 O16 S8 -","8","2","","Zhang, Yahui; Chen, Yi; Guo, Mei; Sun, Ge; Que, Rongbin; Cui, Ranran; Gao, Yu; Chen, Haijun","Direct C–H functionalization of tetrahydro-γ-carbolines at the α-position","New Journal of Chemistry","2022","46","20","9511","9514","10.1039/D2NJ00928E","","","0.71073","MoKα","","0.1068","0.0675","","","0.1635","0.1882","","","","","","1.023","","","","has coordinates,has disorder","275800","2022-06-06","01:54:07",""
"7061497","17.4729","0.0002","11.1879","0.0002","9.71","0.0001","90","","90","","90","","1898.16","0.04","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H76 Cl12 N8 Ru4 S4 -","- C68 H76 Cl12 N8 Ru4 S4 -","- C68 H76 Cl12 N8 Ru4 S4 -","1","0.25","","Akhter, Suffora; Rehman, Abdur; Abidi, S. M. A.; Arjmand, Farukh; Tabassum, Sartaj","Synthesis, structural insights, and biological screening of DNA targeted Ru(ii)(η6-p-cymene) complexes containing bioactive amino-benzothiazole ligand scaffolds","New Journal of Chemistry","2022","46","23","11462","11473","10.1039/D2NJ00883A","","","0.71073","MoKα","","0.0203","0.019","","","0.0494","0.0501","","","","","","0.996","","","","has coordinates","276661","2022-07-06","08:27:41",""
"7061499","14.37","0.0008","10.2079","0.0006","7.7368","0.0005","90","","90","","90","","1134.89","0.12","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H16 B10 -","- C5 H16 B10 -","- C20 H64 B40 -","4","1","","Minyaylo, E. O.; Kudryavtseva, A. I.; Zubova, V. Y.; Anisimov, A. A.; Zaitsev, A. V.; Ol'shevskaya, V. A.; Dolgushin, F. M.; Peregudov, A. S.; Muzafarov, A. M.","Synthesis of mono- and polyfunctional organosilicon derivatives of polyhedral carboranes for the preparation of hybrid polymer materials","New Journal of Chemistry","2022","46","23","11143","11148","10.1039/D2NJ01266A","","","0.71073","MoKα","","0.0533","0.0435","","","0.1074","0.1149","","","","","","1.02","","","","has coordinates","276667","2022-07-06","08:28:55",""
"7061621","15.1567","0.0004","10.5298","0.0003","8.732","0.0002","90","","90","","90","","1393.6","0.06","294.15","","294.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","cis-bis(N,N'-dimethylimidazole)dichloroplatinum(II)","","- C10 H16 Cl2 N4 Pt -","- C10 H16 Cl2 N4 Pt -","- C40 H64 Cl8 N16 Pt4 -","4","1","","Rivera, Carolina; Bacilio-Beltrán, Héctor Alejandro; Puebla-Pérez, Ana Maria; Rangel-Salas, Irma Idalia; Alvarado–Rodríguez, José G; Flores-Moreno, Roberto; Velázquez- Juárez, Gilberto; Peregrina-Lucano, Alejandro Aarón; Becerra-Martinez, Elvia; Valdez-Ruvalcaba, Jaime; Rubio-Garcia, J. Emiliano; Cortes-Llamas, Sara Angelica","Cis and trans platinum(II) N-heterocyclic carbene isomers: synthesis, characterization and biological activity","New Journal of Chemistry","2022","","","","","10.1039/D2NJ02508F","","x-ray","0.71073","MoKα","","0.0167","0.0149","","","0.035","0.0362","","","","","","1.068","","","","has coordinates","276304","2022-06-28","00:21:48",""
"7061907","9.0668","0.0005","14.8508","0.001","4.5755","0.0003","90","","90","","90","","616.09","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","FAVIPIRAVIR","","- C5 H4 F N3 O2 -","- C5 H4 F N3 O2 -","- C20 H16 F4 N12 O8 -","4","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0691","0.0586","","","0.1412","0.1498","","","","","","1.035","","","","has coordinates","279014","2022-11-07","05:40:41",""
"7061917","7.93","0.0007","17.238","0.002","9.7334","0.0012","90","","90","","90","","1330.5","0.3","340","2","340","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H26 Br6 Cl2 N2 Pb2 -","- C10 Br6 Cl2 N2 Pb2 -","- C20 Br12 Cl4 N4 Pb4 -","2","0.5","","Li, Duo-Fu; Zhao, Peng-Ju; Deng, Xiang-Hong; Wu, Yao-Zhen; He, Xiao-Li; Liu, Dong-Sheng; Li, Yong-Xiu; Sui, Yan","A new organic–inorganic hybrid perovskite ferroelectric [ClCH2CH2N(CH3)3][PbBr3] and Its PVDF matrix-assisted highly-oriented flexible ferroelectric films","New Journal of Chemistry","2022","46","40","19391","19400","10.1039/D2NJ03613D","","","0.71073","MoKα","","0.3323","0.1035","","","0.2319","0.3304","","","","","","1.031","","","","has coordinates,has disorder","279023","2022-11-07","05:44:12",""
"7061924","8.8003","0.001","17.2762","0.0019","11.4665","0.0013","90","","90","","90","","1743.3","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H23 Fe N S2 -","- C17 H23 Fe N S2 -","- C68 H92 Fe4 N4 S8 -","4","1","","Dong, Junyang; Hu, Jianfeng; Zhang, Hao","One-pot synthesis of ferrocenyl dithiocarbamates and their application in the detection of Cu2+","New Journal of Chemistry","2022","46","41","19834","19840","10.1039/D2NJ04133B","","","0.71073","MoKα","","0.0363","0.0288","","","0.0671","0.0707","","","","","","1.011","","","","has coordinates","278999","2022-11-07","05:35:47",""
"7062126","13.664","0.002","8.7402","0.0015","18.815","0.004","90","","90","","90","","2247","0.7","150","2","150","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C12 H7 Br Cl N O -","- C12 H7 Br Cl N O -","- C96 H56 Br8 Cl8 N8 O8 -","8","2","","Mast, Nicolas; Erb, William; Nauton, Lionel; Moreau, Pascale; Mongin, Olivier; Roisnel, Thierry; Macaigne, Margaux; Robert, Thomas; Bach, Stéphane; Picot, Laurent; Thiéry, Valérie; Hurvois, Jean-Pierre; Mongin, Florence","From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds","New Journal of Chemistry","2023","47","1","258","283","10.1039/D2NJ04567B","","x-ray","0.71073","MoKα","","0.0893","0.0564","","","0.1482","0.1784","","","","","","1.047","","","","has coordinates,has disorder","281492","2023-03-04","18:28:19",""
"7062237","24.8057","0.0006","15.1639","0.0004","21.0939","0.0006","90","","90","","90","","7934.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C68 H92 B40 N4 -","- C68 H92 B40 N4 -","- C272 H368 B160 N16 -","4","1","","Xu, Chunyue; Li, Tianrui; Miao, Jinling; Liu, Kexin; Nie, Yong; Liu, Guangning; Jiang, Xuchuan","Bridged o-carborane–anthracene dyads as dual state emission luminogens: synthesis, characterization, and mechanochromic properties","New Journal of Chemistry","2023","47","9","4448","4456","10.1039/D3NJ00027C","","x-ray","0.71073","MoKα","","0.1145","0.0686","","","0.1613","0.1947","","","","","","1.013","","","","has coordinates","281536","2023-03-04","18:36:02",""
"7062386","8.751","0.004","9.112","0.004","5.291","0.004","90","","90","","90","","421.9","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- H4 Li2 N O8 Rb S2 -","- H4 Li2 N O8 Rb S2 -","- H8 Li4 N2 O16 Rb2 S4 -","2","0.5","","Xu, Junxin; Sha, Hongyuan; Shang, Yanran; Wang, Zujian; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Tetrahedron-based deep-ultraviolet nonlinear optical crystal with optimized KBe2BO3F2-like structure and disordered cations","New Journal of Chemistry","2023","47","16","7521","7526","10.1039/D3NJ01114C","","","0.71073","MoKα","","0.0345","0.032","","","0.0713","0.0725","","","","","","0.981","","","","has coordinates,has disorder","283388","2023-05-05","02:54:36",""
"7062477","43.4528","0.0012","11.8801","0.0003","8.1619","0.0002","90","","90","","90","","4213.37","0.19","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H39 Cl N5 O5 Pt Re -","- C45 H39 Cl N5 O5 Pt Re -","- C180 H156 Cl4 N20 O20 Pt4 Re4 -","4","1","","Wang, Nan; Zhou, Qing-Dong; Jia, Zhiyu","Bimetallic Re(i)/Pt(ii)/Pd(ii) complexes: study of synthesis and properties","New Journal of Chemistry","2023","47","23","11210","11215","10.1039/D3NJ00965C","","","0.71073","MoKα","","0.1346","0.0747","","","0.1463","0.1713","","","","","","1.035","","","","has coordinates","284946","2023-07-05","10:37:35",""
"7062549","9.291","0.003","13.506","0.005","15.467","0.005","90","","90","","90","","1940.9","1.1","298.96","","298.96","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","2","","Palabıyık, Duygu; Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap","Designing inorganic–organic hybrid molecules based on carbazole/indole-appended cyclotriphosphazenes and the investigation of their photophysical properties","New Journal of Chemistry","2023","47","29","13866","13879","10.1039/D3NJ01956J","","","0.71073","MoKα","","0.0636","0.0437","","","0.0984","0.1101","","","","","","1.031","","","","has coordinates","285473","2023-08-05","09:14:41",""
"7062562","23.772","0.0014","14.0221","0.0008","13.8462","0.0009","90","","90","","90","","4615.4","0.5","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","[Bis(di(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidino)pyridine]Nickel(II) hexafluorophosphate","","- C40 H57 F12 N15 Ni P2 -","- C40 H57 F12 N15 Ni P2 -","- C160 H228 F48 N60 Ni4 P8 -","4","1","","Sahni, Priya; Gupta, Rahat; Tripathy, Debakanta; Rath, Soumya Lipsa; Pal, Amlan K.","Ni(ii)-polypyridyl complexes as potential DNA binders","New Journal of Chemistry","2023","47","31","14717","14725","10.1039/D3NJ00961K","","","0.71073","MoKα","","0.0499","0.0479","","","0.1241","0.1257","","","","","","1.055","","","","has coordinates,has disorder","286172","2023-09-05","20:10:15",""
"7062563","23.253","0.004","14.073","0.003","13.729","0.003","90","","90","","90","","4492.7","1.6","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","[Bis(di(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidino)pyrazine]Nickel(II) hexafluorophosphate","","- C38 H55 F12 N17 Ni P2 -","- C38 H55 F12 N17 Ni P2 -","- C152 H220 F48 N68 Ni4 P8 -","4","1","","Sahni, Priya; Gupta, Rahat; Tripathy, Debakanta; Rath, Soumya Lipsa; Pal, Amlan K.","Ni(ii)-polypyridyl complexes as potential DNA binders","New Journal of Chemistry","2023","47","31","14717","14725","10.1039/D3NJ00961K","","","0.71073","MoKα","","0.0302","0.0288","","","0.0756","0.0761","","","","","","1.032","","","","has coordinates","286172","2023-09-05","20:10:16",""
"7062602","24.6783","0.0009","12.9905","0.0004","5.0465","0.0002","90","","90","","90","","1617.82","0.1","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Kumar M, Naveen; Lyngkhoi, Deikrisha Lyngdoh; Gaikwad, Sudhakar; Samanta, Debabrata; Khatua, Snehadrinarayan; Pramanik, Susnata","The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones","New Journal of Chemistry","2023","47","32","15066","15075","10.1039/D3NJ02198J","","","0.71073","MoKα","","0.062","0.0485","","","0.107","0.1128","","","","","","1.107","","","","has coordinates","286160","2023-09-05","20:07:40",""
"7062631","26.7047","0.0008","10.0021","0.0003","9.1754","0.0002","90","","90","","90","","2450.78","0.12","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H18 Cl8 Fe2 N4 -","- C11 H18.78 Cl8 Fe2 N4 -","- C44 H75.12 Cl32 Fe8 N16 -","4","1","","Zafar, Anham; Din, Imtiaz-ud-; Batool, Saadia; Palgrave, Robert G.; Yousuf, Sammer","Deep extractive and catalytic oxidative desulfurization of liquid fuels by using iron(iii) based dication ionic liquids","New Journal of Chemistry","2023","47","33","15731","15747","10.1039/D3NJ02179C","","","1.54178","CuKα","","0.0824","0.0734","","","0.1953","0.2056","","","","","","1.087","","","","has coordinates,has disorder","286166","2023-09-05","20:08:52",""
"7062879","14.5774","0.0008","7.4338","0.0003","12.8552","0.0007","90","","90","","90","","1393.06","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H20 Cl3 Co N4 -","- C8 H20 Cl3 Co N4 -","- C32 H80 Cl12 Co4 N16 -","4","1","","Zhang, Yan; Qi, Xiao-Fang; Li, Can-Hao; Zhan, Shu-Zhong","Finding a mononuclear cobalt(iii)-peroxo complex with 1,4,7,10-tetraazacyclododecane, an intermediate for dioxygen reduction","New Journal of Chemistry","2023","47","47","21648","21653","10.1039/D3NJ04108E","","x-ray","0.71073","MoKα","","0.045","0.0399","","","0.0894","0.0931","","","","","","1.061","","","","has coordinates","288852","2024-01-06","08:58:26",""
"7062906","9.9094","0.0006","11.0437","0.0007","15.9662","0.0008","90","","90","","90","","1747.28","0.18","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","R., Nandini; R., Thrilokraj; Kshirsagar, Umesh A.; Hegde, Rajeev V.; Ghosh, Arnab; Patil, Siddappa A.; Malecki, Jan Grzegorz; Dateer, Ramesh B.","Facile access to 1,2-disubstituted benzimidazoles and 2,3-dihydro-1H-perimidines using a biogenically synthesized single phase δ-MnO2 NP catalyst and its dye removal study","New Journal of Chemistry","2024","48","3","1327","1335","10.1039/D3NJ03803C","","x-ray","0.71073","MoKα","","0.0882","0.0451","","","0.0856","0.103","","","","","","1.016","","","","has coordinates","289599","2024-02-04","12:23:48",""
"7062909","8.5784","0.0008","26.55","0.002","4.5184","0.0005","90","","90","","90","","1029.1","0.17","298","2","298.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","4-amino-3,8-dinitro-pyrazolo[5,1-c][1,2,4]triazine","","- C6 H7 N7 O5 -","- C6 H7 N7 O5 -","- C24 H28 N28 O20 -","4","1","","Shi, Haichuan; Wang, Yuqing; Wang, Xinyu; Zhang, Xiaotian; Huang, Ming; Yang, Haijun; Luo, Zhenghang","Concise synthesis of a fused energetic pyrazolotriazine with good performance","New Journal of Chemistry","2024","48","3","1212","1216","10.1039/D3NJ04391F","","","1.34138","GaKα","","0.0492","0.0371","","","0.0852","0.0932","","","","","","1.111","","","","has coordinates","289603","2024-02-04","12:25:46",""
"7062972","7.6269","0.0002","11.8526","0.0004","5.70105","0.00016","90","","90","","90","","515.37","0.03","293","2","293","2","","","","","","","no","4","P n a 21","P 2c -2n","33","oxide fluoride","potassium niobium oxide fluoride","","- F3 K2 Nb O2 -","- F3 K2 Nb O2 -","- F12 K8 Nb4 O8 -","4","1","","Belokoneva, Elena L.; Stefanovich, Sergey Yu.; Volkov, Anatoly S.; Dimitrova, Olga V.; Mozgova, Alexandra","New nonlinear optical oxyfluoride K2NbO2F3 with strong pseudo-centrosymmetry, obtained by mild hydrothermal synthesis","New Journal of Chemistry","2024","48","6","2569","2575","10.1039/D3NJ04922A","","","0.71073","MoKα","","0.0589","0.0542","","","0.1298","0.1361","","","","","","1.24","","","","has coordinates","290237","2024-03-04","20:36:20",""
"7062998","18.5498","0.0002","20.23","0.0002","12.7711","0.0002","90","","90","","90","","4792.51","0.1","100","0.1","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H48 Cu I N P3 -","- C56 H48 Cu I N P3 -","- C224 H192 Cu4 I4 N4 P12 -","4","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","","0.71073","MoKα","","0.0329","0.0262","","","0.0511","0.0537","","","","","","1.038","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7100039","10.374","0.0002","19.283","0.0007","9.733","0.0003","90","","90","","90","","1947.01","0.1","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H25 N -","- C26 H25 N -","- C104 H100 N4 -","4","1","","R.E.Grigg; Laura Cleghorn; Colin Kilner; William S. MacLachlan; V. Sridharan","Bimetallic Catalytic Synthesis of Annelated Benzazepines","Chemical Communications","2005","","","","","10.1039/b503213j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100081","7.904","0.002","19.879","0.004","10.989","0.002","90","","90","","90","","1726.6","0.6","253","2","253","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 B3 N3 -","- C18 H18 B3 N3 -","- C72 H72 B12 N12 -","4","1","","Chi-ming Che.; Chi-Chung Kwok.; Iona H. T. Sham; Nianyong Zhu.","Borazine Materials for Organic Optoelectronic Applications","Chemical Communications","2005","","","","","10.1039/b504510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100088","15.4","0.01","18.79","0.02","5.045","0.003","90","","90","","90","","1460","2","120","1","120","1","","","","","","","","4","P n a 21","P 2c -2n","33","Pentamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)","","","- C11 H14 F6 O6 -","- C11 H14 F6 O6 -","- C44 H56 F24 O24 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b504676a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100161","18.8479","0.0019","16.3926","0.0017","10.1499","0.001","90","","90","","90","","3136","0.5","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H42 B Br Mg N6 -","- C28 H42 B Br Mg N6 -","- C112 H168 B4 Br4 Mg4 N24 -","4","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505985b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100162","18.9117","0.0019","16.2675","0.0017","10.125","0.001","90","","90","","90","","3114.9","0.5","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H42 B Br Fe N6 -","- C28 H42 B Br Fe N6 -","- C112 H168 B4 Br4 Fe4 N24 -","4","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505985b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100232","17.6507","0.0006","7.9712","0.0003","19.0992","0.0006","90","","90","","90","","2687.21","0.16","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H2 F9 N2 S2 -","- C10 H2 F9 N2 S2 -","- C80 H16 F72 N16 S16 -","8","2","","J. Rawson; Antonio Alberola; Caroline S. Clarke; Delia A. Haynes; Sofia I. Pascu","Crystal structures and magnetic properties of a sterically encumbered dithiadiazolyl radical, 2,4,6-(F3C)3C6H2CNSSN","Chemical Communications","2005","","","","","10.1039/b508371k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100271","13.3771","0.0004","28.564","0.0009","15.3254","0.0005","90","","90","","90","","5855.9","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H61 B2 F10 N3 O4 -","- C62 H61 B2 F10 N3 O4 -","- C248 H244 B8 F40 N12 O16 -","4","1","","Carl Redshaw; Mark R.J. Elsegood","Synthesis of bis(bora)calix[4]arenes bearing perfluoroaryl substituents","Chemical Communications","2005","","","","","10.1039/b509556e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100499","6.137","0.002","7.451","0.002","34.981","0.012","90","","90","","90","","1599.5","0.9","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100686","22.457","0.006","8.135","0.002","4.7648","0.0012","90","","90","","90","","870.5","0.4","130","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","4-iodophenyl sulfamate","","","- C6 H6 I N O3 S -","- C6 H6 I N O3 S -","- C24 H24 I4 N4 O12 S4 -","4","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100841","35.144","0.005","10.548","0.005","31.09","0.005","90","0.005","90","0.005","90","0.005","11525","6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C100 H152 Pb4 Si8 -","- C100 H152 Pb4 Si8 -","- C400 H608 Pb16 Si32 -","4","1","","Alan Cowley; Jamie N. Jones","pi-Indenyl tin(II) and lead(II) compounds","Chemical Communications","2005","","","","","10.1039/b410549d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100842","15.226","0.005","10.237","0.005","16.111","0.005","90","0.005","90","0.005","90","0.005","2511.2","1.7","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H38 Ge0 Li O2 Si2 -","- C23 H38 Li O2 Si2 -","- C92 H152 Li4 O8 Si8 -","4","1","","Alan Cowley; Jamie N. Jones","pi-Indenyl tin(II) and lead(II) compounds","Chemical Communications","2005","","","","","10.1039/b410549d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100858","13.467","0.003","11.722","0.003","3.737","0.001","90","","90","","90","","589.9","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Isonicotinamide-N-oxide","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","","A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy","Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals","Chemical Communications","2006","","","","","10.1039/b515510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100986","18.2286","0.0017","17.4745","0.0018","13.722","0.0015","90","","90","","90","","4370.9","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H60 Fe N7 O P -","- C42 H60 Fe N7 O P -","- C168 H240 Fe4 N28 O4 P4 -","4","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, Willam B.","Molecular N2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands","Chemical Communications","2005","","","","","10.1039/b415562a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7101033","24.869","0.002","22.922","0.002","10.8407","0.0013","90","","90","","90","","6179.7","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H80 F12 N2 O18 P2 -","- C54 H80 F12 N2 O18 P2 -","- C216 H320 F48 N8 O72 P8 -","4","1","","Feihe Huang; Carla Slebodnick; Karen A. Switek; Harry W. Gibson","Bis(m-phenylene)-32-crown-10-based cryptand/diquat inclusion [2]complexes","Chemical Communications","2006","","","","","10.1039/b600227g","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101109","20.9927","0.0004","12.0115","0.0002","12.1022","0.0002","90","","90","","90","","3051.6","0.1","150","","150","","","","","","","","?","5","P n a 21","P 2c -2n","33","","[Zr{MeN(CH2CH2CH2NSiMe3)2}(CH2Ph)2]","","- C27 H47 N3 Si2 Zr -","- C27 H47 N3 Si2 Zr -","- C108 H188 N12 Si8 Zr4 -","4","1","","T.A.Lowes; B.D.Ward; R.A.Whannel; S.R.Dubberley,; P.Mountford","","Chemical Communications","2005","","1","","","10.1039/b412381f","","","0.71073","MoKα","","","0.0273","","","","0.0262","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7101288","17.746","0.003","20.587","0.004","13.232","0.003","90","","90","","90","","4834.1","1.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C H22.5 Ag1.34 K3.67 O48.25 P W11 -","- C Ag1.335 K3.665 O48.25 P W11 -","- C4 Ag5.34 K14.66 O193 P4 W44 -","4","1","","H.I.S.Nogueira; F.A.Almeida Paz; P.A.F.Teixeira; J.Klinowski","One-dimensional silver(I) chain of lacunary α-Keggin anions","Chemical Communications","2006","","28","","","10.1039/b605973b","","","0.71073","MoKα","","0.1215","0.0604","","","0.1222","0.1538","","","","","","1.044","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101402","8.815","0.001","14.432","0.001","12.7","0.001","90","","90","","90","","1615.7","0.2","198","2","198","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H20 Hf -","- C20 H20 Hf -","- C80 H80 Hf4 -","4","1","","Gerhard Erker; Gereon Dierker; Roland Frohlich; Stefan Grimme; Gerald Kehr","Stereo-Electronic Interaction in Complex Molecules: Cyclopropyl Conjugation with Lewis Acidic Centres Across Connecting Carbon Carbon Triple Bonds","Chemical Communications","2006","","37","","","10.1039/b607906g","","","0.71073","MoKα","","0.0235","0.0201","","","0.0476","0.0489","","","","","","1.026","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101447","18.515","0.004","8.3709","0.0017","18.448","0.004","90","","90","","90","","2859.2","1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H43 Cl Ge N2 -","- C29 H43 Cl Ge N2 -","- C116 H172 Cl4 Ge4 N8 -","4","1","","Cameron Jones; Shaun P. Green; Peter Junk; Kai-Alexander Lippert; Andreas Stasch","Synthetic, Structural and Theoretical Studies of Amidinate and Guanidinate Stabilised Germanium(I) Dimers","Chemical Communications","2006","","38","","","10.1039/b610645e","","","0.71073","MoKα","","0.071","0.0548","","","0.1133","0.1209","","","","","","1.07","","","","has coordinates,has disorder","180116","2020-10-21","18:00:00",""
"7101476","18.3","0.004","6.1987","0.0018","12.443","0.004","90","","90","","90","","1411.5","0.7","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O7 -","- C13 H15 N O7 -","- C52 H60 N4 O28 -","4","1","","Juan Carlos Ortiz; Lidia Ozores; Fernando Cagide-Fagín; Ricardo Alonso","Annulation of β-aryl-α-nitro-α,β-enals and 2,2-dimethyl-1,3-dioxan-5-one: a one-step assembly of nitrocyclitols. Application to a short practical synthesis of (±)-7-deoxy-2-epi-pancratistatin tetraacetate","Chemical Communications","2006","","40","","","10.1039/b606277f","","x-ray","1.5418","CuKα","","0.1021","0.0469","","","0.1126","0.1382","","","","","","1.061","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101847","14.606","0.003","9.7332","0.0017","12.753","0.002","90","","90","","90","","1813","0.5","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H26 N3 Sb -","- C18 H26 N3 Sb -","- C72 H104 N12 Sb4 -","4","1","","Spinney, Heather A; Korobkov, Ilia; Richeson, Darrin S","Diamidonaphthalene-supported pnictogenium cations: synthesis of an N-heterocyclic stibenium cation by a novel protonation route.","Chemical communications (Cambridge, England)","2007","","16","1647","1649","10.1039/b617434e","","","0.71073","MoKα","","0.0307","0.024","","","0.0599","0.0643","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101973","18.9601","0.0005","16.2475","0.0004","11.5036","0.0003","90","","90","","90","","3543.73","0.16","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H64 Al Li N2 O -","- C34 H64 Al Li N2 O -","- C136 H256 Al4 Li4 N8 O4 -","4","1","","García-Álvarez, Joaquín; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.","Lewis base stabilized lithium TMP-aluminates: an unexpected fragmentation and capture reaction involving cyclic ether 1,4-dioxane","Chemical Communications (Cambridge, United Kingdom)","2007","","23","2402","2404","10.1039/b700785j","","","0.71073","MoKα","","0.0757","0.0427","","","0.0744","0.0843","","","","","","1.015","","","","has coordinates","209745","2020-10-21","18:00:00",""
"7101998","6.7054","0.0013","9.0818","0.0018","8.1187","0.0016","90","","90","","90","","494.41","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H2 Cu N6 -","- C2 H2 Cu N6 -","- C8 H8 Cu4 N24 -","4","1","","Li, Jian-Rong; Yu, Qun; Sañudo, E Carolina; Tao, Ying; Bu, Xian-He","An azido-Cu(II)-triazolate complex with utp-type topological network, showing spin-canted antiferromagnetism.","Chemical communications (Cambridge, England)","2007","","25","2602","2604","10.1039/b702988h","","","0.71073","MoKα","","0.0266","0.0234","","","0.0537","0.056","","","","","","1.041","","","","has coordinates,has disorder","180121","2020-10-21","18:00:00",""
"7102198","17.823","0.004","10.479","0.003","23.866","0.006","90","","90","","90","","4457.2","1.9","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","(Cp'ScBz)(B(C6F5)4)","","","- C45 H33 B F20 N Sc Si -","- C45 H33 B F20 N Sc Si -","- C180 H132 B4 F80 N4 Sc4 Si4 -","4","1","","Li, Xiaofang; Nishiura, Masayoshi; Mori, Kyouichi; Mashiko, Tomohiro; Hou, Zhaomin","Cationic scandium aminobenzyl complexes. Synthesis, structure and unprecedented catalysis of copolymerization of 1-hexene and dicyclopentadiene.","Chemical communications (Cambridge, England)","2007","","40","4137","4139","10.1039/b708534f","","","0.71073","MoKα","","0.0696","0.0345","","","0.0366","0.0402","","","","","","0.979","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7102233","36.414","0.011","11.889","0.004","25.772","0.008","90","","90","","90","","11158","6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C88 H125 Cu4 F12 N12 O26.5 S4 -","- C88 H116 Cu4 F12 N12 O26.5 S4 -","- C352 H464 Cu16 F48 N48 O106 S16 -","4","1","","Gómez, Laura; Company, Anna; Fontrodona, Xavier; Ribas, Xavi; Costas, Miquel","Self-assembling of nanoscopic molecular rectangles, extended helicates and porous-like materials based on macrocyclic dicopper building blocks under fine supramolecular control.","Chemical communications (Cambridge, England)","2007","","42","4410","4412","10.1039/b707508a","","","0.71073","MoKα","","0.1837","0.0964","","","0.245","0.2962","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102356","13.5675","0.0003","15.3805","0.0002","12.3987","0.0003","90","","90","","90","","2587.3","0.09","173","2","173","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C22 H33 Cl4 N6 P -","- C22 H33 Cl4 N6 P -","- C88 H132 Cl16 N24 P4 -","4","1","","Coles, Martyn P; Hitchcock, Peter B","A Lewis-basic, dionio-substituted phosphane.","Chemical communications (Cambridge, England)","2007","","48","5229","5231","10.1039/b710923g","","x-ray","0.71073","MoKα","","0.0299","0.028","","","0.0801","0.0819","","","","","","0.974","","","","has coordinates,has disorder","180125","2020-10-21","18:00:00",""
"7102379","14.4419","0.0007","38.607","0.002","21.448","0.001","90","","90","","90","","11958","1","150.2","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H33 Cl3 Cu3 N9 O12 -","- C33 H33 Cl3 Cu3 N9 O12 -","- C396 H396 Cl36 Cu36 N108 O144 -","12","3","","Maekawa, Masahiko; Konaka, Hisashi; Minematsu, Toshie; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Bowl-shaped Cu(I) metallamacrocyclic ethylene and carbonyl adducts as structural analogues of organic calixarenes.","Chemical communications (Cambridge, England)","2007","","48","5179","5181","10.1039/b713618h","","","0.7107","MoKα","","","0.0583","","","","0.1168","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7102427","32.668","0.002","24.2542","0.0017","16.2044","0.0011","90","","90","","90","","12839.5","1.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C102 H83 Cl12 Co6 N21 Na8 O24 P4 -","- C102 H83 Cl12 Co6 N21 Na8 O24 P4 -","- C408 H332 Cl48 Co24 N84 Na32 O96 P16 -","4","1","","Langley, Stuart; Helliwell, Madeleine; Raftery, James; Tolis, Evangelos I; Winpenny, Richard E P","Phosphonate ligands encourage a platonic relationship between cobalt(II) and alkali metal ions.","Chemical communications (Cambridge, England)","2004","","2","142","143","10.1039/b312769a","","","0.71073","MoKα","","0.0421","0.0361","","","0.0787","0.0809","","","","","","1.055","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102434","20.5945","0.0008","8.6556","0.0003","22.805","0.0008","90","","90","","90","","4065.2","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H34 B2 Cu2 F8 N10 O -","- C41 H34 B2 Cu2 F8 N10 O -","- C164 H136 B8 Cu8 F32 N40 O4 -","4","1","","Cragg, Peter J; Heirtzler, Fenton R; Howard, Mark J; Prokes, Ivan; Weyhermüller, Thomas","In flagrante metallo-cyclophane self-assembly?","Chemical communications (Cambridge, England)","2004","","3","280","281","10.1039/b310558j","","","0.71073","MoKα","","0.0444","0.0366","","","0.0751","0.0786","","","","","","1.03","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102541","7.3017","0.0007","19.2542","0.0018","11.094","0.0011","90","","90","","90","","1559.7","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","1,5,6-tricarbomethoxy-3-methoxyazulene","1,5,6-tricarbomethoxy-3-methoxyazulene","","- C17 H16 O7 -","- C17 H16 O7 -","- C68 H64 O28 -","4","1","","Higham, Lee J; Kelly, P Gabriel; Corr, David M; Müller-Bunz, Helge; Walker, Brian J; Gilheany, Declan G","A novel azulene synthesis from the Ramirez ylide involving two different modes of its reaction with activated alkynes.","Chemical communications (Cambridge, England)","2004","","6","684","685","10.1039/b316759c","","x-ray","0.71073","MoKα","","0.0418","0.0376","","","0.0887","0.0907","","","","","","1.135","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102860","29.6427","0.0017","9.5879","0.0006","18.0884","0.0011","90","","90","","90","","5140.9","0.5","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H83 Al5 B N6 Y -","- C39 H83 Al5 B N6 Y -","- C156 H332 Al20 B4 N24 Y4 -","4","1","","Zimmermann, Melanie; Takats, Josef; Kiel, Gong; Törnroos, Karl W; Anwander, Reiner","Ln(III) methyl and methylidene complexes stabilized by a bulky hydrotris(pyrazolyl)borate ligand.","Chemical communications (Cambridge, England)","2008","","5","612","614","10.1039/b713378b","","","0.71073","MoKα","","0.1244","0.052","","","0.0951","0.1238","","","","","","1.02","","","","has coordinates","180130","2020-10-21","18:00:00",""
"7102913","14.5817","0.0018","13.8145","0.0018","15.0487","0.0018","90","","90","","90","","3031.4","0.7","243","2","243","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H33 B N7 Ni S4 -","- C22 H33 B N7 Ni S4 -","- C88 H132 B4 N28 Ni4 S16 -","4","1","","Pang, Keliang; Tanski, Joseph M; Parkin, Gerard","Reactivity of the Ni‒>B dative sigma-bond in the nickel boratrane compounds [kappa4-B(mimBut)3]NiX (X=Cl, OAc, NCS, N3): synthesis of a series of B-functionalized tris(2-mercapto-1-tert-butylimidazolyl)borato complexes, [YTmBut)]NiZ.","Chemical communications (Cambridge, England)","2008","","8","1008","1010","10.1039/b714466k","","","0.71073","MoKα","","0.2249","0.0741","","","0.1155","0.1564","","","","","","1.046","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7102919","23.2481","0.0011","18.7415","0.0009","46.38","0.002","90","","90","","90","","20208.1","1.7","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C119 H162 Mn2 -","- C118 H158.98 Mn2 -","- C944 H1271.84 Mn16 -","8","2","","Ni, Chengbao; Ellis, Bobby D; Fettinger, James C; Long, Gary J; Power, Philip P","Univalent transition metal complexes of arenes stabilized by a bulky terphenyl ligand: differences in the stability of Cr(I), Mn(I) or Fe(I) complexes.","Chemical communications (Cambridge, England)","2008","","8","1014","1016","10.1039/b715027j","","","0.71073","MoKα","","0.0902","0.0595","","","0.1374","0.1501","","","","","","1.046","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7102961","21.0076","0.0004","17.5973","0.0006","12.561","0.0007","90","","90","","90","","4643.5","0.3","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","(Ag((18)aneS4O2))(PF6)(CH3CN)","","","- C14 H27 Ag F6 N O2 P S4 -","- C14 H25 Ag F6 N O2 P S4 -","- C112 H200 Ag8 F48 N8 O16 P8 S32 -","8","2","","Huang, Deguang; Blake, Alexander J; McInnes, Eric J L; McMaster, Jonathan; Davies, E Stephen; Wilson, Claire; Wolowska, Joanna; Schröder, Martin","Electronic structure of the mononuclear Ag(ii) complex [Ag([18]aneS(4)O(2))](2+) ([18]aneS(4)O(2) = 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane).","Chemical communications (Cambridge, England)","2008","","11","1305","1307","10.1039/b717647c","","","0.71073","MoKα","","0.04","0.03","","","0.0645","0.0705","","","","","","1.04","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7102964","10.9577","0.0003","7.2339","0.0002","46.7378","0.0013","90","","90","","90","","3704.76","0.18","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H34 O -","- C23 H34 O -","- C184 H272 O8 -","8","2","","Zhao, Jun-Feng; Zhao, Yu-Jun; Loh, Teck-Peng","Indium tribromide-promoted arene-terminated epoxy olefin cyclization.","Chemical communications (Cambridge, England)","2008","","11","1353","1355","10.1039/b718337b","","","0.71073","MoKα","","0.0584","0.0447","","","0.1097","0.1265","","","","","","1.106","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7103025","18.725","0.002","9.5403","0.0012","20.18","0.002","90","","90","","90","","3605","0.7","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H21 Cl3 F3 I4 P -","- C31 H21 Cl3 F3 I4 P -","- C124 H84 Cl12 F12 I16 P4 -","4","1","","Metrangolo, Pierangelo; Meyer, Frank; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Mutual induced coordination in halogen-bonded anionic assemblies with (6,3) cation-templated topologies.","Chemical communications (Cambridge, England)","2008","","14","1635","1637","10.1039/b716879a","","","0.71073","MoKα","","0.0415","0.0324","","","0.0777","0.0818","","","","","","1.059","","","","has coordinates,has disorder","180132","2020-10-21","18:00:00",""
"7103071","16.441","0.003","12.319","0.003","12.173","0.002","90","","90","","90","","2465.4","0.9","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H30 N2 O2 S -","- C28 H30 N2 O2 S -","- C112 H120 N8 O8 S4 -","4","1","","Shi, Wen; Ma, Huimin","Rhodamine B thiolactone: a simple chemosensor for Hg2+ in aqueous media.","Chemical communications (Cambridge, England)","2008","","16","1856","1858","10.1039/b717718f","","","0.71073","MoKα","","0.1378","0.0468","","","0.0905","0.1401","","","","","","0.782","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103168","6.0931","0.0009","13.8466","0.0019","26.311","0.004","90","","90","","90","","2219.8","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H10 Br2 O -","- C11 H10 Br2 O -","- C88 H80 Br16 O8 -","8","2","","Tian, Guo-Qiang; Yuan, Zhi-Liang; Zhu, Zhi-Bin; Shi, Min","Palladium(II)-catalyzed ring enlargement of 2-(arylmethylene)cyclopropylcarbinols: strong effect of substituent electronic nature on the reaction pathway.","Chemical communications (Cambridge, England)","2008","","23","2668","2670","10.1039/b804932g","","","0.71073","MoKα","","0.1267","0.0928","","","0.2064","0.2254","","","","","","0.906","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103171","19.3708","0.0011","7.6797","0.0004","16.2156","0.0009","90","","90","","90","","2412.3","0.2","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H39 K N4 O Zn -","- C19 H39 K N4 O Zn -","- C76 H156 K4 N16 O4 Zn4 -","4","1","","Conway, Ben; Graham, David V; Hevia, Eva; Kennedy, Alan R; Klett, Jan; Mulvey, Robert E","Structurally-defined potassium-mediated regioselective zincation of amino- and alkoxy-substituted pyridines.","Chemical communications (Cambridge, England)","2008","","23","2638","2640","10.1039/b805606d","","","0.71073","MoKα","","0.0967","0.0529","","","0.0884","0.1037","","","","","","1.05","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103292","34.975","0.003","12.5607","0.0011","5.7537","0.0005","90","","90","","90","","2527.7","0.4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","NO3","","","- C19 H29.5 Ag N8 O6.75 -","- C19 H28 Ag N8 O6.75 -","- C76 H112 Ag4 N32 O27 -","4","1","","Byrne, Peter; Lloyd, Gareth O; Anderson, Kirsty M; Clarke, Nigel; Steed, Jonathan W","Anion hydrogen bond effects in the formation of planar or quintuple helical coordination polymers.","Chemical communications (Cambridge, England)","2008","","32","3720","3722","10.1039/b806060f","","","0.71073","MoKα","","0.046","0.0378","","","0.0928","0.0979","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7103310","13.5267","0.0006","24.8476","0.0011","23.8083","0.001","90","","90","","90","","8002.1","0.6","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H26 F4 Ir N3 O -","- C45 H26 F4 Ir N3 O -","- C360 H208 F32 Ir8 N24 O8 -","8","2","","You, Youngmin; Huh, Hyun Sue; Kim, Kil Suk; Lee, Soon W; Kim, Dongho; Park, Soo Young","Comment on 'aggregation-induced phosphorescent emission (AIPE) of iridium(III) complexes': origin of the enhanced phosphorescence.","Chemical communications (Cambridge, England)","2008","","34","3998","4000","10.1039/b806541a","","","0.71073","MoKα","","0.1401","0.0518","","","0.0827","0.1068","","","","","","0.97","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7103344","9.035","0.003","18.435","0.007","8.794","0.003","90","","90","","90","","1464.7","0.9","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H13 B N2 O4 -","- C17 H13 B N2 O4 -","- C68 H52 B4 N8 O16 -","4","1","","Maeda, Hiromitsu; Fujii, Yasunobu; Mihashi, Yuta","Diol-substituted boron complexes of dipyrrolyl diketones as anion receptors and covalently linked 'pivotal' dimers.","Chemical communications (Cambridge, England)","2008","","36","4285","4287","10.1039/b806361c","","","0.71075","MoKα","","0.055","0.0408","","","0.0825","0.0879","","","","","","1.037","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7103567","20.2668","0.0009","10.481","0.0005","14.6117","0.0007","90","","90","","90","","3103.8","0.3","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H44 Hf N2 -","- C35 H44 Hf N2 -","- C140 H176 Hf4 N8 -","4","1","","Domski, Gregory J; Edson, Joseph B; Keresztes, Ivan; Lobkovsky, Emil B; Coates, Geoffrey W","Synthesis of a new olefin polymerization catalyst supported by an sp3-C donor via insertion of a ligand-appended alkene into the Hf-C bond of a neutral pyridylamidohafnium trimethyl complex.","Chemical communications (Cambridge, England)","2008","","46","6137","6139","10.1039/b811384j","","","0.71073","MoKα","","0.0758","0.045","","","0.0844","0.0971","","","","","","0.969","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103630","10.9177","0.0009","17.2334","0.001","9.4999","0.0005","90","","90","","90","","1787.4","0.2","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Ethyl-3,5-dimethyl-4,6-diphenyl-tetrahydropyran-2,4-diol","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","1","","Schmittel, Michael; Haeuseler, Andreas; Nilges, Tom; Pfitzner, Arno","The elusive aldol reaction of enolates with aldolates ‒ a highly stereoselective process using three different carbonyl components","Chemical Communications (Cambridge, United Kingdom)","2003","","1","34","35","10.1039/b209536j","","","0.71069","MoKα","","0.0324","0.0292","","","0.0732","0.0746","","","","","","1.033","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103646","14.5108","0.0008","25.9696","0.0013","8.4582","0.0004","90","","90","","90","","3187.4","0.3","173","2","173","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C35 H46 Cl N2 P -","- C35 H46 Cl N2 P -","- C140 H184 Cl4 N8 P4 -","4","1","","Michael F. Lappert; Peter B. Hitchcock; Jacek E. Nyez","Synthesis, structure and reductive dechlorination of the C-centred phosphorus(III) b-diketiminate PCl(Ph)L [L = C{C(Me)NC6H3Pri2-2,6}{C(Me)NHC6H3Pri2-2,6}]","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b301294h","","x-ray","0.71073","MoKα","","0.0733","0.056","","","0.1265","0.1362","","","","","","1.089","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103775","10.113","0.002","11.411","0.002","8.3285","0.0018","90","","90","","90","","961.1","0.4","173","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-butyl-3-methylimidazolium chloride","1-butyl-3-methylimidazolium chloride","","- C8 H15 Cl N2 -","- C8 H15 Cl N2 -","- C32 H60 Cl4 N8 -","4","1","","John D. Holbrey; W. Matthew Reichert; Mark Nieuwenhuyzen; Suzanne Johnson; Kenneth R. Seddon; Robin D., Rogers","Crystal polymorphism in 1-butyl-3-methlimidazolium halides: supporting ionic liquid formation by inhibition of crystallisation","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b304543a","","x-ray","0.71073","MoKα","","0.0421","0.0405","","","0.0907","0.0919","","","","","","1.035","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103777","10.0649","0.0004","11.8628","0.0005","8.4306","0.0003","90","","90","","90","","1006.6","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-butyl-3-methylimidazolium bromide","1-butyl-3-methylimidazolium bromide","","- C8 H15 Br N2 -","- C8 H15 Br N2 -","- C32 H60 Br4 N8 -","4","1","","John D. Holbrey; W. Matthew Reichert; Mark Nieuwenhuyzen; Suzanne Johnson; Kenneth R. Seddon; Robin D. Rogers","Crystal polymorphism in 1-butyl-3-methlimidazolium halides: supporting ionic liquid formation by inhibition of crystallisation","Chemical communications (Cambridge, England)","2003","","14","1636","1637","10.1039/b304543a","","x-ray","0.71073","MoKα","","0.0674","0.0552","","","0.1216","0.1286","","","","","","1.056","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103833","19.9343","0.001","21.6102","0.0009","12.0206","0.0005","90","","90","","90","","5178.3","0.4","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","(eta$5!-cyclopentadienyl-manganese(i)- bis(dimethylphosphino)ethane-bis(triphenyltin)-tetracumulene) diethylether","[η^5^-cyclopentadienyl-manganese(I)-bis(dimethylphosphino)ethane- bis(triphenyltin)-tetracumulene] diethylether","","- C55 H61 Mn O P2 Sn2 -","- C55 H61 Mn O P2 Sn2 -","- C220 H244 Mn4 O4 P8 Sn8 -","4","1","","Venkatesan, Koushik; Fernández, Francisco J; Blacque, Olivier; Fox, Thomas; Alfonso, Montserrat; Schmalle, Helmut W; Berke, Heinz","A facile and novel route to unprecedented manganese C4 cumulenic complexes","Chemical communications (Cambridge, England)","2003","","16","2006","2008","10.1039/b304882a","","","0.71073","MoKα","","0.0867","0.035","","","0.0491","0.0541","","","","","","0.799","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103958","14.148","0.007","9.007","0.005","14.649","0.007","90","","90","","90","","1866.6","1.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H12 Cu2 N3 O6 -","- C18 H12 Cu2 N3 O6 -","- C72 H48 Cu8 N12 O24 -","4","1","","Tong, Ming-Liang; Li, Li-Jun; Mochizuki, Katsunori; Chang, Ho-Chol; Chen, Xiao-Ming; Li, Ying; Kitagawa, Susumu","A novel three-dimensional coordination polymer constructed with mixed-valence dimeric copper(I,II) units","Chemical Communications (Cambridge, United Kingdom)","2003","","3","428","429","10.1039/b210914j","","","0.7107","Molybdenum","","0.0467","0.0446","","","0.113","0.1144","","","","","","1.031","","","","has coordinates","209681","2020-10-21","18:00:00",""
"7103990","13.27","0.002","6.629","0.001","10.866","0.001","90","","90","","90","","955.8","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- As F Fe H4 N O4 -","- As F Fe N O4 -","- As8 F8 Fe8 N8 O32 -","8","2","","Bazán, Begoña; Mesa, José L.; Pizarro, José L.; Aguayo, Andrés T.; Arriortua, María I.; Rojo, Teófilo","Fe(AsO4): A new iron(III) arsenate synthesized from thermal treatment of (NH4)[Fe(AsO4)F]","Chemical Communications (Cambridge, United Kingdom)","2003","","5","622","623","10.1039/b210998k","","","0.71073","MoKα","","0.0297","0.0258","","","0.0637","0.065","","","","","","1.113","","","","has coordinates","210733","2020-10-21","18:00:00",""
"7104047","7.3141","0.0009","21.308","0.003","20.088","0.002","90","","90","","90","","3130.6","0.7","128","2","128","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H26 N4 Ni -","- C48 H26 N4 Ni -","- C192 H104 N16 Ni4 -","4","1","","Nath, Mahendra; Huffman, John C.; Zaleski, Jeffrey M.","Accelerated Bergman cyclization of porphyrinic-enediynes","Chemical Communications (Cambridge, United Kingdom)","2003","","7","858","859","10.1039/b212923j","","","0.71073","MoKα","","0.0408","0.0321","","","0.0782","0.084","","","","","","1.036","","","","has coordinates","210836","2020-10-21","18:00:00",""
"7104167","16.4","0.003","11.699","0.002","19.703","0.004","90","","90","","90","","3780.2","1.3","298","2","298","2","","","101.33","","","","","3","P n a 21","P 2c -2n","33","tetramethyl 1-methyl-2-oxo-6-hydroxybicyclo(1.3.3)nonane- 1,3,5,7-tetracarboxylate","","","- C18 H22 O10 -","- C18 H22 O10 -","- C144 H176 O80 -","8","2","","Russo, Vincenzo; Allen, John; Ball, Zachary T","Synthesis and isotopic labeling of a naturally occurring alkyl-thiadiamondoid.","Chemical communications (Cambridge, England)","2009","34","5","595","596","10.1039/b818399f","","x-ray","0.71073","MoKα","","0.0807","0.0449","","","0.1054","0.127","","","","","","1.011","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104197","10.1845","0.0003","19.9169","0.0005","5.9157","0.0002","90","","90","","90","","1199.96","0.06","93.1","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C9 H7 F3 I N O3 S -","- C9 H7 F3 I N O3 S -","- C36 H28 F12 I4 N4 O12 S4 -","4","1","","Ochiai, Masahito; Nakano, Aiko; Yoshimura, Akira; Miyamoto, Kazunori; Hayashi, Satoko; Nakanishi, Waro","Imido transfer of sulfonylimino-lambda3-bromane makes possible the synthesis of sulfonylimino-lambda3-iodanes.","Chemical communications (Cambridge, England)","2009","34","8","959","961","10.1039/b818489e","","","0.71075","MoKα","","","0.0154","","","","0.0379","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104208","12.93969","0.00096","6.48158","0.00049","10.53899","0.00065","90","","90","","90","","883.9","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","P n a 21 KTP","","","?","- K8 O40 P8 Ti8 -","- K8 O40 P8 Ti8 -","","","","Yashima, Masatomo; Komatsu, Takafumi","Order-disorder and displacive components in the ferroelectric-paraelectric phase transition of potassium titanyl phosphate KTiOPO4.","Chemical communications (Cambridge, England)","2009","34","9","1070","1072","10.1039/b817280c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104209","12.90532","0.00054","6.45983","0.00027","10.562","0.0003","90","","90","","90","","880.51","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","P n a 21 KTP","","","?","- K8 O40 P8 Ti8 -","- K8 O40 P8 Ti8 -","","","","Yashima, Masatomo; Komatsu, Takafumi","Order-disorder and displacive components in the ferroelectric-paraelectric phase transition of potassium titanyl phosphate KTiOPO4.","Chemical communications (Cambridge, England)","2009","34","9","1070","1072","10.1039/b817280c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104210","12.85628","0.00059","6.43008","0.00031","10.5752","0.0004","90","","90","","90","","874.22","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","P n a 21 KTP","","","?","- K8 O40 P8 Ti8 -","- K8 O40 P8 Ti8 -","","","","Yashima, Masatomo; Komatsu, Takafumi","Order-disorder and displacive components in the ferroelectric-paraelectric phase transition of potassium titanyl phosphate KTiOPO4.","Chemical communications (Cambridge, England)","2009","34","9","1070","1072","10.1039/b817280c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104211","12.8133","0.0005","6.40272","0.00028","10.58419","0.00031","90","","90","","90","","868.33","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","P n a 21 KTP","","","?","- K8 O40 P8 Ti8 -","- K8 O40 P8 Ti8 -","","","","Yashima, Masatomo; Komatsu, Takafumi","Order-disorder and displacive components in the ferroelectric-paraelectric phase transition of potassium titanyl phosphate KTiOPO4.","Chemical communications (Cambridge, England)","2009","34","9","1070","1072","10.1039/b817280c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104274","16.578","0.003","15.421","0.003","11.988","0.002","90","","90","","90","","3064.9","1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H24 Cu2 N8 O8 -","- C28 H24 Cu2 N8 O8 -","- C112 H96 Cu8 N32 O32 -","4","1","","Zhao, Hai-Xia; Zhuang, Gui-Lin; Wu, Shu-Ting; Long, La-Sheng; Guo, Hai-Yan; Ye, Zuo-Guang; Huang, Rong-Bin; Zheng, Lan-Sun","Experimental and theoretical demonstration of ferroelectric anisotropy in a one-dimensional copper(II)-based coordination polymer.","Chemical communications (Cambridge, England)","2009","34","13","1644","1646","10.1039/b820500k","","","0.71073","MoKα","","0.049","0.0454","","","0.1087","0.1113","","","","","","0.977","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104276","11.553","0.002","21.96","0.004","6.961","0.0014","90","","90","","90","","1766","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-Methoxy-N'-p-methoxyphenyldiimide N'-oxide","","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C64 H80 N16 O24 -","8","2","","Huang, Zhangjian; Zhang, Yihua; Fang, Lei; Zhang, Zhiguo; Lai, Yisheng; Ding, Ye; Cao, Fengqi; Zhang, Ji; Peng, Sixun","Nanometre-sized titanium dioxide-catalyzed reactions of nitric oxide with aliphatic cyclic and aromatic amines.","Chemical communications (Cambridge, England)","2009","34","13","1763","1765","10.1039/b820535c","","","0.71073","MoKα","","0.1142","0.0541","","","0.1298","0.162","","","","","","1","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104419","21.147","0.004","8.3692","0.0017","18.124","0.004","90","","90","","90","","3207.6","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H13 Cl N2 O S -","- C17 H13 Cl N2 O S -","- C136 H104 Cl8 N16 O8 S8 -","8","2","","Wan, Jie-Ping; Pan, Yuan-Jiang","Chemo-/regioselective synthesis of 6-unsubstituted dihydropyrimidinones, 1,3-thiazines and chromones via novel variants of Biginelli reaction.","Chemical communications (Cambridge, England)","2009","34","19","2768","2770","10.1039/b901112a","","","0.71073","MoKα","","0.0804","0.0399","","","0.1","0.1345","","","","","","1.156","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7104539","26.318","0.005","22.685","0.004","13.388","0.003","90","","90","","90","","7993","3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C69 H106 Cl5 Cu2 N8 O8 -","- C69.02 H106.04 Cl5.02 Cu2 N8 O8 -","- C276.08 H424.16 Cl20.08 Cu8 N32 O32 -","4","1","","Wenzel, Marco; Jameson, Geoffrey B; Ferguson, Lauren A; Knapp, Quintin W; Forgan, Ross S; White, Fraser J; Parsons, Simon; Tasker, Peter A; Plieger, Paul G","Anion-induced contraction of helical receptors.","Chemical communications (Cambridge, England)","2009","34","24","3606","3608","10.1039/b902772f","","","0.71073","MoKα","","0.0881","0.0865","","","0.1967","0.1977","","","","","","1.212","","","","has coordinates,has disorder","180148","2020-10-21","18:00:00",""
"7104588","16.1038","0.0005","17.5224","0.0006","9.176","0.0003","90","","90","","90","","2589.26","0.15","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H41 Au F6 P Sb -","- C20 H41 Au F6 P Sb -","- C80 H164 Au4 F24 P4 Sb4 -","4","1","","Hooper, Thomas N; Green, Michael; McGrady, John E; Patel, Jaynika R; Russell, Christopher A","Synthesis and structural characterisation of stable cationic gold(I) alkene complexes.","Chemical communications (Cambridge, England)","2009","34","26","3877","3879","10.1039/b908109g","","x-ray","0.71074","MoKα","","0.0279","0.0227","","","0.0423","0.0436","","","","","","0.992","","","","has coordinates,has disorder","180148","2020-10-21","18:00:00",""
"7104690","11.619","0.0011","12.2992","0.0012","11.3746","0.0011","90","","90","","90","","1625.5","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Yunfeng Chen; Cheng Zhong; Xiaohua Sun; Novruz G. Akhmedov; Jeffrey L. Petersen; Xiaodong Shi","One-pot cascade Michael‒Michael‒Aldol condensation for diastereoselective synthesis of nitro-substituted cyclohexanes","Chem. Commun.","2009","34","","5150","5152","10.1039/b909766j","","","0.71073","MoKα","","0.0512","0.0419","","","0.1078","0.1157","","","","","","1.045","","","","has coordinates","180149","2020-10-21","18:00:00",""
"7105034","12.8863","0.0006","37.2568","0.0017","11.0722","0.0005","90","","90","","90","","5315.8","0.4","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C54 H58 -","- C54 H58 -","- C216 H232 -","4","1","","Lin, Sheng-Hsun; Wu, Fang-Iy; Liu, Rai-Shung","Synthesis, photophysical properties and color tuning of highly fluorescent 9,10-disubstituted-2,3,6,7-tetraphenylanthracene.","Chemical communications (Cambridge, England)","2009","","45","6961","6963","10.1039/b912289c","","","0.71073","MoKα","","0.2209","0.0983","","","0.2004","0.2631","","","","","","0.81","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105052","14.192","0.0013","12.8979","0.0013","7.4178","0.0006","90","","90","","90","","1357.8","0.2","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H18 O -","- C18 H18 O -","- C72 H72 O4 -","4","1","","Arbour, Jannine L; Rzepa, Henry S; White, Andrew J P; Hii, King Kuok Mimi","Unusual regiodivergence in metal-catalysed intramolecular cyclisation of gamma-allenols.","Chemical communications (Cambridge, England)","2009","","46","7125","7127","10.1039/b913295c","","","0.71073","MoKα","","0.1215","0.0497","","","0.0803","0.0981","","","","","","0.853","","","","has coordinates","180154","2020-10-21","18:00:00",""
"7105191","15.2304","0.001","11.8338","0.0008","28.86","0.002","90","","90","","90","","5201.5","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H32 N5 O5 Ru -","- C23 H32 N5 O5 Ru -","- C184 H256 N40 O40 Ru8 -","8","2","","McKinnon, Stephen D J; Patrick, Brian O; Lever, A B P; Hicks, Robin G","Verdazyl radicals as redox-active, non-innocent, ligands: contrasting electronic structures as a function of electron-poor and electron-rich ruthenium bis(beta-diketonate) co-ligands.","Chemical communications (Cambridge, England)","2010","46","5","773","775","10.1039/b919920a","","","0.71073","MoKα","","0.1417","0.0604","","","0.1457","0.1804","","","","","","0.976","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105200","7.3596","0.0005","19.161","0.001","13.049","0.001","90","","90","","90","","1840.1","0.2","123.2","","123.2","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H26 O2 -","- C23 H26 O2 -","- C92 H104 O8 -","4","1","","Matsuo, Jun-Ichi; Sasaki, Shun; Hoshikawa, Takaya; Ishibashi, Hiroyuki","Intramolecular formal [4+2] cycloaddition of 3-ethoxycyclobutanones and alkenes.","Chemical communications (Cambridge, England)","2010","46","6","934","936","10.1039/b919332d","","","0.7107","MoKα","","","0.0336","","","","0.0443","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105354","16.9144","0.0004","11.4962","0.0003","14.8485","0.0004","90","","90","","90","","2887.31","0.13","100","2","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H45 Au F6 P Sb Si -","- C21 H45 Au F6 P Sb Si -","- C84 H180 Au4 F24 P4 Sb4 Si4 -","4","1","","Hooper, Thomas N; Green, Michael; Russell, Christopher A","Cationic Au(I) alkyne complexes: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2010","46","13","2313","2315","10.1039/b923900f","","x-ray","0.71074","MoKα","","0.0218","0.0174","","","0.0391","0.0408","","","","","","1.058","","","","has coordinates,has disorder","180157","2020-10-21","18:00:00",""
"7105355","12.9328","0.0008","13.8471","0.0009","11.1422","0.0007","90","","90","","90","","1995.4","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H36 Au P -","- C18 H36 Au P -","- C72 H144 Au4 P4 -","4","1","","Hooper, Thomas N; Green, Michael; Russell, Christopher A","Cationic Au(I) alkyne complexes: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2010","46","13","2313","2315","10.1039/b923900f","","x-ray","0.71074","MoKα","","0.0321","0.0206","","","0.0528","0.0607","","","","","","0.779","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105359","17.9014","0.0009","25.421","0.0012","15.5739","0.0009","90","","90","","90","","7087.2","0.6","100","2","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C51 H110 Au4 Cl2 F12 P4 Sb2 -","- C51 H110 Au4 Cl2 F12 P4 Sb2 -","- C204 H440 Au16 Cl8 F48 P16 Sb8 -","4","1","","Hooper, Thomas N; Green, Michael; Russell, Christopher A","Cationic Au(I) alkyne complexes: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2010","46","13","2313","2315","10.1039/b923900f","","x-ray","0.71074","MoKα","","0.0705","0.0498","","","0.0992","0.1072","","","","","","1.061","","","","has coordinates,has disorder","180157","2020-10-21","18:00:00",""
"7105366","14.189","0.005","7.746","0.003","16.523","0.005","90","","90","","90","","1816","1.1","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,1,3,3-tetrafluoro-4,9-diphenyl-1,3-dihydronaphtho(2,3- c)furan","","","- C24 H14 F4 O -","- C24 H14 F4 O -","- C96 H56 F16 O4 -","4","1","","Ehm, Christian; Lentz, Dieter","Diels-Alder reactions of 1,1,4,4-tetrafluorobutatriene.","Chemical communications (Cambridge, England)","2010","46","14","2399","2401","10.1039/b922424f","","","0.71073","MoKα","","0.0543","0.0486","","","0.1266","0.1315","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105670","20.514","0.0006","14.3651","0.0004","9.3329","0.0003","90","","90","","90","","2750.27","0.14","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C38 H28 O2 -","- C38 H28 O2 -","- C152 H112 O8 -","4","1","","Hongyin Gao; Xingxing Wu; Junliang Zhang","Exo/endo selectivity-control in Lewis-acid catalyzed tandem heterocyclization/formal [4+3] cycloaddition: synthesis of polyheterocycles from 2-(1-alkynyl)-2-alken-1-ones and 1,3-diphenylisobenzofuran","Chem.Commun.","2010","46","","8764","","10.1039/c0cc02778b","","","0.71073","MoKα","","0.0408","0.0328","","","0.0721","0.0767","","","","","","1.055","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7105776","14.9399","0.0015","19.6839","0.0017","6.9061","0.0007","90","","90","","90","","2030.9","0.3","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 Au N3 -","- C24 H20 Au N3 -","- C96 H80 Au4 N12 -","4","1","","Kelly Kilpin; Ursula Paul; Ai-Lan Lee; James Crowley","Gold(I) âClickâ 1,2,3-triazolylidenes: Synthesis, Self-Assembly and Catalysis.","Chem.Commun.","2011","47","","328","","10.1039/c0cc02185g","","","0.71073","MoKα","","0.0397","0.0265","","","0.0443","0.0473","","","","","","0.97","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105872","11.747","0.0014","9.1555","0.0011","11.5381","0.0013","90","","90","","90","","1240.9","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H4 Cd2 N8 O6 -","- C4 Cd2 N8 O6 -","- C16 Cd8 N32 O24 -","4","1","","Di-Chang Zhong; Wei-Xiong Zhang; Feng-Lei Cao; Long Jiang; Tong-Bu Lu","A three-dimensional microporous metal-organic framework with large hydrogen sorption hysteresis","Chem.Commun.","2011","47","","1204","","10.1039/c0cc03506h","","","0.71073","MoKα","","0.0284","0.0236","","","0.0604","0.0658","","","","","","1.032","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105873","11.8184","","8.3244","","11.9153","","90","","90","","90","","1172.24","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H4 Cd2 N8 O6 -","- C4 Cd2 N8 O4 -","- C16 Cd8 N32 O16 -","4","1","","Di-Chang Zhong; Wei-Xiong Zhang; Feng-Lei Cao; Long Jiang; Tong-Bu Lu","A three-dimensional microporous metal-organic framework with large hydrogen sorption hysteresis","Chem.Commun.","2011","47","","1204","","10.1039/c0cc03506h","","","","","","","","","","","","","","","","","","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7106140","15.858","0.001","7.8424","0.0004","31.456","0.002","90","","90","","90","","3912","0.4","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H22 Cu I2 N4 -","- C16 H22 Cu I2 N4 -","- C128 H176 Cu8 I16 N32 -","8","2","","Marta Aguado Tetilla; M. Carla Aragoni; Massimiliano Arca; Claudia Caltagirone; Carla Bazzicalupi; Andrea Bencini; Alessandra Garau; Francesco Isaia; Antonio Laguna; Vito Lippolis; Valeria Meli","Colorimetric response to anions by a “robust” copper(II) complex of a [9]aneN3 pendant arm derivative: CN? and I? selective sensing","Chem.Commun.","2011","47","","3805","","10.1039/c0cc04500d","","","0.71073","MoKα","","0.127","0.0509","","","0.0845","0.0975","","","","","","0.763","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106178","20.76","0.003","36.095","0.006","13.531","0.002","90","","90","","90","","10139","3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C84 H126 Ag14 N28 -","- C84 H126 Ag14 N28 -","- C336 H504 Ag56 N112 -","4","1","","Jie-Peng Zhang; Xiao-Lin Qi; Chun-Ting He; Xiao-Ming Chen","Interweaving isomerism and isomerization of molecular chains","Chem.Commun.","2011","47","","4156","","10.1039/c1cc10365b","","","0.71073","MoKα","","0.0951","0.0759","","","0.182","0.1962","","","","","","1.074","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106226","26.602","0.003","8.7735","0.0009","11.9016","0.0012","90","","90","","90","","2777.7","0.5","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H34 F6 Fe N O4 S2 -","- C24 H34 F6 Fe N O4 S2 -","- C96 H136 F24 Fe4 N4 O16 S8 -","4","1","","Yusuke Funasako; Tomoyuki Mochida; Takashi Inagaki; Takahiro Sakurai; Hitoshi Ohta; Ko Furukawa; Toshikazu Nakamura","Magnetic memory based on magnetic alignment of a paramagnetic ionic liquid near room temperature","Chem.Commun.","2011","47","","4475","","10.1039/c0cc05820c","","","0.71073","MoKα","","0.0272","0.0254","","","0.0617","0.0626","","","","","","1.068","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106399","18.2006","0.0009","10.4443","0.0007","9.0541","0.0006","90","","90","","90","","1721.12","0.18","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H15 N7 O3 Zn -","- C14 H15 N7 O3 Zn -","- C56 H60 N28 O12 Zn4 -","4","1","","Fei Wang; Yan-Xi Tan; Hui Yang; Haixia Zhang; Yao Kang; Jian Zhang","A new approach towards tetrahedral imidazolate frameworks for high and selective CO2 uptake","Chem.Commun.","2011","47","","5828","","10.1039/c1cc10829h","","","0.7107","MoKα","","0.0428","0.0317","","","0.0691","0.0707","","","","","","0.994","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106478","26.8824","0.0003","23.1806","0.0003","19.5962","0.0002","90","","90","","90","","12211.4","0.2","100","2","100","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C86 H156 Ce Cr6 F7 N2 O31 -","- C86 H156 Ce Cr6 F7 N2 O31 -","- C344 H624 Ce4 Cr24 F28 N8 O124 -","4","1","","Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny","Chromium Chains as Polydentate Fluoride Ligands for Lanthanides","Chem.Commun.","2011","47","","6251","","10.1039/c1cc11516b","","x-ray","0.71073","MoKα","","0.0695","0.0587","","","0.1513","0.1632","","","","","","1.062","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106534","24.2684","0.0011","11.1671","0.0005","13.238","0.0006","90","","90","","90","","3587.6","0.3","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","3","","","- C33 H38 Cl2 Ge N2 O5 W -","- C33 H38 Cl2 Ge N2 O5 W -","- C132 H152 Cl8 Ge4 N8 O20 W4 -","4","1","","S.M. Ibrahim Al-Rafia; Adam Malcolm; Sean Liew; Michael Ferguson; Robert McDonald; Eri Rivard","Intercepting low oxidation state main group hydrides with a nucleophilic N-hetereocyclic olefin","Chem. Commun.","2011","47","","6987","","10.1039/c1cc11737h","","","0.71073","MoKα","","0.0211","0.0203","","","0.0498","0.0501","","","","","","1.15","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106633","24.3055","0.0018","16.5785","0.0011","14.2903","0.001","90","","90","","90","","5758.3","0.7","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H23 B11 N2 -","- C15 H23 B11 N2 -","- C180 H276 B132 N24 -","12","3","","Jian Zhang; Hoi-Shan Chan; Zuowei Xie","Selective cage boron/carbon extrusion reaction of 13-vertex carborane m-1,2-(CH2)3-1,2-C2B11H11: formation of nido-CB10, closo-CB10, and closo-C2B10 species","Chem.Commun.","2011","47","","8082","","10.1039/c1cc12023a","","","0.71073","MoKα","","0.148","0.0816","","","0.2045","0.2716","","","","","","1.038","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106642","35.555","0.003","11.8292","0.0009","14.7547","0.0012","90","","90","","90","","6205.6","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C72.5 H68.75 B2 N8.75 O0.25 Ru -","- C70 H64 B2 N8 Ru -","- C280 H256 B8 N32 Ru4 -","4","1","","Lucile Bernet; Ralte Lalrempuia; Wadih Ghattas; Helge Muller-Bunz; Laura Vigara; Antoni Llobet; Martin Albrecht","Tunable single-site ruthenium catalysts for efficient water oxidation","Chem.Commun.","2011","47","","8058","","10.1039/c1cc12615f","","","0.71073","MoKα","","0.0409","0.0389","","","0.0894","0.0904","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106681","31.4131","0.0016","8.2264","0.0004","11.8449","0.0006","90","","90","","90","","3060.9","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H38 Br Cl3 N4 -","- C27 H38 Br Cl3 N4 -","- C108 H152 Br4 Cl12 N16 -","4","1","","Yunshan Sun; Christian Koehler; Runyu Tan; Vincent T. Annibale; Datong Song","Ester hydrogenation catalyzed by Ru-CNN pincer complexes","Chem.Commun.","2011","47","","8349","","10.1039/c1cc12601f","","","0.71073","MoKα","","0.0736","0.043","","","0.0682","0.0759","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106704","21.27","0.011","9.7","0.005","17.118","0.009","90","","90","","90","","3532","3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","Tantalum hydride","Tantalum hydride","","- C24 H64 N9 Ta3 -","- C24 H64 N9 Ta3 -","- C96 H256 N36 Ta12 -","4","1","","Shu-Jian Chen; Juan Li; B.Dougan; C.Steren; Xiaoping Wang; Xue-Tai Chen; Zhenyang Lin; Ziling Xue","Unexpected formation of a trinuclear complex containing a Ta(IV)-Ta(IV) bond in the reactions of ButN[double bond, length as m-dash]Ta(NMe2)3 with silanes","Chem.Commun.","2011","47","","8685","","10.1039/c1cc12837j","","","0.71073","MoKα","","0.0166","0.0158","","","0.0349","0.0351","","","","","","1.02","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106783","7.4449","0.001","15.105","0.002","23.962","0.004","90","","90","","90","","2694.7","0.7","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C112 H104 O8 -","4","1","","Pierre Mobian; Clarisse Huguenard; Marc Henry","A guest-induced reversible switching of a self-assembled H-bonded supramolecular framework","Chem.Commun.","2011","47","","9630","","10.1039/c1cc13124a","","","0.71073","MoKα","","0.1428","0.0931","","","0.2389","0.2723","","","","","","0.998","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7106910","5.887","0.002","7.94","0.002","36.911","0.011","90","","90","","90","","1725.3","0.9","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Simon Lamare; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey","Incorporation of zinc(II) porphyrins in polyaniline in its perigraniline form leading to polymers with the lowest band gap","Chem.Commun.","2011","47","","10942","","10.1039/c1cc14026d","","","0.71073","MoKα","","0.1687","0.0549","","","0.1179","0.1492","","","","","","0.886","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106980","31.403","0.018","15.539","0.009","7.241","0.004","90","","90","","90","","3533","3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H13 F15 Ge N4 O -","- C39 H13 F15 Ge N4 O -","- C156 H52 F60 Ge4 N16 O4 -","4","1","","Huayi Fang; Zhen Ling; Penelope J. Brothers; Xuefeng Fu","Reactivity studies of a corrole germanium hydride complex with aldehydes, olefins and alkyl halides","Chem.Commun.","2011","47","","11677","","10.1039/c1cc15076f","","","0.71073","MoKα","","0.0893","0.0819","","","0.1987","0.204","","","","","","1.129","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7107024","21.312","0.003","11.2949","0.0015","29.097","0.004","90","","90","","90","","7004.1","1.7","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H59 N3 O28 Zn4 -","- C52 H59 N3 O28 Zn4 -","- C208 H236 N12 O112 Zn16 -","4","1","","Bappaditya Gole; Arun Kumar Bar; Partha Sarathi Mukherjee","Fluorescent metal-organic framework for selective sensing of nitroaromatic explosives","Chem.Commun.","2011","47","","12137","","10.1039/c1cc15594f","","","0.71073","MoKα","","0.0215","0.0215","","","0.0723","0.0723","","","","","","1.122","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107056","11.2914","0.0017","8.1975","0.0013","18.139","0.003","90","","90","","90","","1679","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Ying Wei; Shaoxia Lin; Juan Zhang; Zaihai Niu; Qiang Fu; Fushun Liang","Halonium-initiated electrophilic cascades of 1-alkenoylcyclopropane carboxamides: efficient access to dihydrofuropyridinones and 3(2H)-furanones","Chem.Commun.","2011","47","","12394","","10.1039/c1cc15319f","","","0.71073","MoKα","","0.0761","0.0447","","","0.1177","0.1462","","","","","","1.043","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107146","16.4133","0.0009","24.4635","0.0016","6.4734","0.0004","90","","90","","90","","2599.2","0.3","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H26 Cl N4 O3 Rh -","- C26 H26 Cl N4 O3 Rh -","- C104 H104 Cl4 N16 O12 Rh4 -","4","1","","Christian Farber; Michael Leibold; Clemens Bruhn; Martin Maurer; Ulrich Siemeling","Nitron: a stable N-heterocyclic carbene that has been commercially available for more than a century","Chem.Commun.","2012","48","2","227","229","10.1039/c1cc16460k","","","0.71073","MoKα","","0.0497","0.0366","","","0.0869","0.0997","","","","","","0.979","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107217","22.533","0.0004","7.7883","0.00012","12.96404","0.0002","90","","90","","90","","2275.11","0.06","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","(1,3-Dimesitylimidazolin-2-ylidene)-dimethyl-methoxy- gallium(iii)","(1,3-Dimesitylimidazolin-2-ylidene)-dimethyl-methoxy-gallium(iii)","","- C24 H35 Ga N2 O -","- C24 H35 Ga N2 O -","- C96 H140 Ga4 N8 O4 -","4","1","","Pawel Horeglad; Grzegorz Szczepaniak; Maciej Dranka; Janusz Zachara","The first facile stereoselectivity switch in the polymerization of rac-lactide‒from heteroselective dialkylgallium alkoxides to isoselective dialkylgallium alkoxides stabilized with NHC carbenes","Chem.Commun.","2012","48","","1171","","10.1039/c2cc16072b","","","0.71073","MoKα","","0.0289","0.026","","","0.0637","0.0655","","","","","","1.051","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107293","26.487","0.005","13.766","0.003","13.53","0.003","90","","90","","90","","4933.3","1.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- As8 Cl Cs5 O42 V14 -","- As8 Cl Cs5 O42 V14 -","- As32 Cl4 Cs20 O168 V56 -","4","1","","Wendy L. Queen; J. Palmer West; Shiou-Jyh Hwu; Thanh Thao Tran; P. Shiv Halasyamani; Don VanDerveer","Symmetry preservation in a new noncentrosymmetric lattice comprised of acentric POM clusters residing in bowls of Cs+ -based half SOD B-cage","Chem.Commun.","2012","48","","1665","","10.1039/c1cc16264k","","","0.71073","MoKα","","0.0604","0.0524","","","0.1385","0.1493","","","","","","1.101","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107339","8.6228","0.0002","20.3707","0.0004","15.0841","0.0003","90","","90","","90","","2649.56","0.1","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H28 F9 N3 O9 S3 -","- C14 H28 F9 N3 O9 S3 -","- C56 H112 F36 N12 O36 S12 -","4","1","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","1.54186","CuKα","","0.0637","0.055","","","0.1376","0.1468","","","","","","1.143","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107366","17.9021","0.0011","20.6963","0.0012","13.241","0.0008","90","","90","","90","","4905.9","0.5","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- Ag H24 K6 O51 P W11 -","- Ag K5 O48.5 P W11 -","- Ag4 K20 O194 P4 W44 -","4","1","","Alevtina Neyman; Yifeng Wang; Shelly Sharet; Neta Varsano; Bogdan Botar; Paul Koegerler; Louisa Meshi; Ira A. Weinstock","Polyoxometalate-directed assembly of water-soluble AgCl nanocubes","Chem.Commun.","2012","48","","2207","","10.1039/c2cc16322e","","","0.71073","MoKα","","0.0355","0.0347","","","0.0838","0.0842","","","","","","1.099","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107395","15.974","0.005","13.378","0.005","12.495","0.005","90","","90","","90","","2670.2","1.7","180","2","180","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C25 H32 F3 N3 O3 S -","- C25 H32 F3 N3 O3 S -","- C100 H128 F12 N12 O12 S4 -","4","1","","Vincent Cesar; Jean-Christophe Tourneux; Nadia Vujkovic; Remy Brousses; Noel Lugan; Guy Lavigne","Interplay between an elusive 4-(isopropylamino)imidazol-2-ylidene and its isolable mesoionic tautomer, and associated reactivities","Chem. Commun.","2012","48","","2349","","10.1039/c2cc17870b","","x-ray","0.71073","MoKα","","0.0348","0.0323","","","0.0951","0.0999","","","","","","1.026","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107424","24.3554","0.001","11.3368","0.0003","20.2929","0.0004","90","","90","","90","","5603.1","0.3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C66 H67 N5 O4 -","- C66 H71.23 N5 O4 -","- C264 H284.92 N20 O16 -","4","1","","Kwan-Bok Jung; Sung Kuk Kim; Vincent M. Lynch; Dong-Gyu Cho; Jonathan L. Sessler","A calix[2]phenol[2]pyrrole and a fused pyrrolidine-containing derivative","Chem.Commun.","2012","48","","2495","","10.1039/c2cc17888e","","","0.71075","MoKα","","0.0972","0.0519","","","0.1218","0.1394","","","","","","1.036","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107442","13.7486","0.0003","10.6087","0.0002","6.923","0.0002","90","","90","","90","","1009.75","0.04","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H7 Ca N O9 P2 -","- C3 H9 Ca N O9 P2 -","- C12 H36 Ca4 N4 O36 P8 -","4","1","","Wenbin Lin; Demin Liu; Stephanie A. Kramer; Rachel C. Huxford-Phillips; Shunzhi Wang; Joseph Della Rocca","Coercing bisphosphonates to kill cancer cells with nanoscale coordination polymers","Chem.Commun.","2012","48","","2668","","10.1039/c2cc17635a","","","1.54178","CuKα","","0.0364","0.0356","","","0.0954","0.096","","","","","","1.104","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107443","13.4828","0.0009","12.6963","0.0007","6.7635","0.0005","90","","90","","90","","1157.79","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H6 Ca N2 O8 P2 -","- C5 H6 Ca N2 O8 P2 -","- C20 H24 Ca4 N8 O32 P8 -","4","1","","Wenbin Lin; Demin Liu; Stephanie A. Kramer; Rachel C. Huxford-Phillips; Shunzhi Wang; Joseph Della Rocca","Coercing bisphosphonates to kill cancer cells with nanoscale coordination polymers","Chem.Commun.","2012","48","","2668","","10.1039/c2cc17635a","","","1.54178","CuKα","","0.0776","0.0586","","","0.1434","0.1518","","","","","","1.087","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7107675","10.6949","0.0003","9.1552","0.0003","11.6695","0.0004","90","","90","","90","","1142.61","0.06","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1'-(4-Ethyl-1-methyl-1,4-dihydropyridine-3,5-diyl)diethanone","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.0407","0.0384","","","0.1052","0.1077","","","","","","1.058","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107809","15.8266","0.0009","12.0793","0.0008","9.903","0.0006","90","","90","","90","","1893.2","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H24 B2 Cl2 N2 -","- C18 H24 B2 Cl2 N2 -","- C72 H96 B8 Cl8 N8 -","4","1","","Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias","An inorganic propellane with central B‒B bond","Chemical Communications (Cambridge, United Kingdom)","2012","48","47","5886","5888","10.1039/c2cc32256k","","","0.71073","MoKα","","0.0305","0.0262","","","0.0569","0.0578","","","","","","0.967","","","","has coordinates","211021","2020-10-21","18:00:00",""
"7107846","18.7974","0.0002","14.7002","0.0001","20.102","0.0003","90","","90","","90","","5554.7","0.11","223","2","223","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C59 H39 B Cl2 F20 P2 Zr -","- C59 H39 B Cl2 F20 P2 Zr -","- C236 H156 B4 Cl8 F80 P8 Zr4 -","4","1","","Xin Xu; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reactions of a methylzirconocene cation with phosphinoalkynes: an alternative pathway for generating Cp2Zr(II) systems","Chem.Commun.","2012","48","","6109","","10.1039/c2cc31883k","","","0.71073","MoKα","","0.0501","0.0427","","","0.0824","0.0877","","","","","","1.085","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107860","37.109","0.001","23.257","0.001","7.43","0.001","90","","90","","90","","6412.4","0.9","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C50 H26 Fe -","- C50 H26 Fe -","- C400 H208 Fe8 -","8","2","","Berit Topolinski; Bernd M. Schmidt; Michael Kathan; Sergej I. Troyanov; Dieter Lentz","Corannulenylferrocenes: towards a 1D, non-covalent metal-organic nanowire","Chem.Commun.","2012","48","","6298","","10.1039/c2cc32275g","","","0.88561","synchrotron","","0.0505","0.0434","","","0.1108","0.1187","","","","","","1.057","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107955","27.5963","0.0005","12.7473","0.0002","13.6801","0.0002","90","","90","","90","","4812.36","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H50 B2 Cl4 Fe2 N6 -","- C50 H50 B2 Cl4 Fe2 N6 -","- C200 H200 B8 Cl16 Fe8 N24 -","4","1","","Chengzhong Cui; Roger A. Lalancette; Frieder Jakle","The elusive tripodal tris(2-pyridyl)borate ligand: a strongly coordinating tetraarylborate","Chem.Commun.","2012","48","","6930","","10.1039/c2cc33059h","","","1.54178","CuKα","","0.045","0.037","","","0.081","0.084","","","","","","1.02","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107982","16.3178","0.0004","20.8353","0.0005","13.7272","0.0003","90","","90","","90","","4667.06","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Ni-isonitrile-insertion","","","- C48 H70 N4 Ni Si2 -","- C48 H70 N4 Ni Si2 -","- C192 H280 N16 Ni4 Si8 -","4","1","","Michael Lipschutz; T.Don Tilley","Synthesis and reactivity of a conveniently prepared two-coordinate bis(amido) nickel(II) complex","Chem.Commun.","2012","48","","7146","","10.1039/c2cc32974c","","","0.71073","MoKα","","0.0305","0.0268","","","0.0636","0.0658","","","","","","1.031","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7108180","10.469","0.004","9.553","0.003","15.723","0.005","90","","90","","90","","1572.5","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 P S -","- C19 H17 P S -","- C76 H68 P4 S4 -","4","1","","Wang, Feijun; Qu, Mingliang; Chen, Feng; Xu, Qin; Shi, Min","Ph2PI as a reduction/phosphination reagent: providing easy access to phosphine oxides.","Chemical Communications (Cambridge, United Kingdom)","2012","48","68","8580","8582","10.1039/c2cc33908k","","","0.71073","MoKα","","0.0484","0.0464","","","0.1176","0.1197","","","","","","1.048","","","","has coordinates","209792","2020-10-21","18:00:00",""
"7108195","7.3912","0.0009","19.057","0.002","21.384","0.002","90","","90","","90","","3012","0.6","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H17 F12 N Si -","- C34 H17 F12 N Si -","- C136 H68 F48 N4 Si4 -","4","1","","Yuichiro Tokoro; Hyeonuk Yeo; Kazuo Tanaka; Yoshiki Chujo","Synthesis of benzo[h]quinoline-based neutral pentacoordinate organosilicon complexes","Chem.Commun.","2012","48","","8541","","10.1039/c2cc34440h","","","0.71075","MoKα","","0.0348","0.0311","","","0.0744","0.0812","","","","","","1.086","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108330","19.555","0.0014","10.6594","0.0008","11.3757","0.0008","90","","90","","90","","2371.2","0.3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C16 H26 B F4 I2 Ir N4 O3 -","- C16 H26 B F4 I2 Ir N4 O3 -","- C64 H104 B4 F16 I8 Ir4 N16 O12 -","4","1","","Manuel Iglesias; Maria Perez-Nicolas; Pablo J. Sanz Miguel; Victor Polo; Francisco J. Fernandez-Alvarez; Jesus J. Perez-Torrente; Luis A. Oro","A synthon for a 14-electron Ir(III) species: catalyst for highly selective beta-(Z) hydrosilylation of terminal alkynes","Chem.Commun.","2012","48","","9480","","10.1039/c2cc34931k","","","0.71073","MoKα","","0.0261","0.0252","","","0.0646","0.065","","","","","","1.023","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108355","11.0457","0.0009","14.7223","0.0015","36.52","0.004","90","","90","","90","","5938.8","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H25 Br N4 O7 S2 -","- C24 H25 Br N4 O7 S2 -","- C192 H200 Br8 N32 O56 S16 -","8","2","","Zhen Zhang; De Wang; Yin Wei; Min Shi","Facile synthesis of 2-pyrazolines and alpha,beta-diamino ketones via regioselective ring-opening of hydrazone-tethered aziridines","Chem.Commun.","2012","48","","9607","","10.1039/c2cc35135h","","","0.71073","MoKα","","0.1553","0.1004","","","0.2259","0.2521","","","","","","0.927","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108585","16.6967","0.0011","4.2787","0.0003","13.1262","0.0008","90","","90","","90","","937.74","0.11","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","KETA 1,3,5-tris-[CH(=NOH)]-benzene","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Christer B. Aakeroy; Abhijeet S. Sinha; Kanishka N. Epa; Christine L. Spartz; John Desper","A versatile and green mechanochemical route for aldehyde-oxime conversions","Chem.Commun.","2012","48","","11289","","10.1039/c2cc36315a","","","0.71073","MoKα","","0.0636","0.0499","","","0.119","0.1302","","","","","","1.164","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108806","18.115","0.003","14.489","0.005","22.113","0.004","90","","90","","90","","5804","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H60 N6 O19 S6 Zn4 -","- C39 H18 N3 O16 S6 Zn4 -","- C156 H72 N12 O64 S24 Zn16 -","4","1","","Guang-Sheng Yang; Zhong-Ling Lang; Hong-Ying Zang; Ya-Qian Lan; Wen-Wen He; Xiao-Liang Zhao; Li-Kai Yan; Xin-Long Wang; Zhong-Min Su","Control of interpenetration in S-containing metal-organic frameworks for selective separation of transition metal ions","Chemical communications (Cambridge, England)","2013","49","11","1088","1090","10.1039/c2cc36894c","","","0.71069","MoKα","","0.1428","0.0706","","","0.1114","0.1253","","","","","","0.992","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108925","9.4508","0.0011","26.424","0.003","5.05","0.0006","90","","90","","90","","1261.1","0.3","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H12 F6 O2 -","- C11 H12 F6 O2 -","- C44 H48 F24 O8 -","4","1","","Poh Wai Chia; Davide Bello; Alexandra M. Z. Slawin; David O'Hagan","Fluorinated 5- and 7-membered carbacycle motifs by reaction of difluorocarbene with acetylene ethers","Chemical communications (Cambridge, England)","2013","49","22","2189","2191","10.1039/c3cc39066g","","","1.54187","CuKα","","","0.0452","","","","0.1206","","","","","","1.09","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108930","14.8435","0.0006","9.8421","0.0004","29.388","0.001","90","","90","","90","","4293.3","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","foldamers","","","- C18 H27 N3 O7 S -","- C18 H27 N3 O7 S -","- C144 H216 N24 O56 S8 -","8","2","","Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Orthanilic acid-promoted reverse turn formation in peptides","Chemical communications (Cambridge, England)","2013","49","22","2222","2224","10.1039/c3cc40522b","","","0.71073","MoKα","","0.0405","0.0351","","","0.0887","0.0927","","","","","","1.044","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108940","7.2411","0.001","21.366","0.003","20.202","0.002","90","","90","","90","","3125.5","0.7","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H26 N4 Pt -","- C48 H26 N4 Pt -","- C192 H104 N16 Pt4 -","4","1","","Leigh J. K. Boerner; Maren Pink; Hyunsoo Park; Amanda LeSueur; Jeffrey M. Zaleski","Spin-state control of thermal and photochemical Bergman cyclization","Chemical communications (Cambridge, England)","2013","49","21","2145","2147","10.1039/c3cc34471a","","x-ray","0.71073","MoKα","","0.0695","0.0388","","","0.0626","0.071","","","","","","0.942","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7109039","15.2302","0.0002","19.2003","0.0002","10.4397","0.0001","90","","90","","90","","3052.82","0.06","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H51 Al3 -","- C30 H51 Al3 -","- C120 H204 Al12 -","4","1","","Chelladurai Ganesamoorthy; Sinah Loerke; Christian Gemel; Paul Jerabek; Manuela Winter; Gernot Frenking; Roland A. Fischer","Reductive elimination: a pathway to low-valent aluminium species","Chem.Commun.","2013","49","","2858","","10.1039/c3cc38584a","","","1.54178","CuKα","","0.0331","0.0293","","","0.0789","0.0808","","","","","","1.033","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109044","7.598","0.003","15.108","0.007","5.183","0.002","90","","90","","90","","595","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","Ag-AMIDN","","","- C5 H2 Ag N5 -","- C5 H2 Ag N5 -","- C20 H8 Ag4 N20 -","4","1","","Huan Yang; Rui-Li Sang; Xiang Xu; Li Xu","An unprecedented 3-D SHG MOF material of silver(I) induced by chiral triple helices","Chem.Commun.","2013","49","","2909","","10.1039/c3cc40516h","","","0.71073","MoKα","","0.0275","0.0249","","","0.0509","0.0521","","","","","","1.063","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109352","29.706","0.015","14.423","0.007","11.405","0.006","90","","90","","90","","4886","4","153","2","153","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H51 Cl4 N O2 P4 Rh2 -","- C47 H51 Cl4 N O2 P4 Rh2 -","- C188 H204 Cl16 N4 O8 P16 Rh8 -","4","1","","Takayuki Nakajima; Miyuki Sakamoto; Sachi Kurai; Bunsho Kure; Tomoaki Tanase","Reversible dioxygen binding on asymmetric dinuclear rhodium centres","Chem.Commun.","2013","49","","5250","","10.1039/c3cc41815d","","","0.71075","MoKα","","","0.0672","","","","0.1825","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109426","15.8408","0.0004","16.5349","0.0003","9.94883","0.00014","90","","90","","90","","2605.86","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 In N O8 -","- C18 H16 In N O8 -","- C72 H64 In4 N4 O32 -","4","1","","Tamas Panda; Tanay Kundu; Rahul Banerjee","Structural isomerism leading to variable proton conductivity in indium(III) isophthalic acid based frameworks","Chem.Commun.","2013","49","","6197","","10.1039/c3cc41939h","","","0.71073","MoKα","","0.082","0.0725","","","0.2213","0.2361","","","","","","1.132","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109458","16.923","0.0006","12.8262","0.0004","13.4858","0.0004","90","","90","","90","","2927.2","0.16","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H40 N Na O6 Th -","- C29 H40 N Na O6 Th -","- C116 H160 N4 Na4 O24 Th4 -","4","1","","Alexandre Herve; Nicolas Garin; Pierre Thuery; Michel Ephritikhine; Jean-Claude Berthet","Bent thorocene complexes with the cyanide, azide and hydride ligands","Chem.Commun.","2013","49","","6304","","10.1039/c3cc42763c","","","0.71073","MoKα","","0.0372","0.0266","","","0.061","0.0636","","","","","","1.055","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109697","17.0215","0.0008","12.175","0.0005","15.8959","0.0007","90","","90","","90","","3294.2","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H33 Cl2 F3 N2 O5 S -","- C33 H33 Cl2 F3 N2 O5 S -","- C132 H132 Cl8 F12 N8 O20 S4 -","4","1","","Maria-Jose Oliva-Madrid; Isabel Saura-Llamas; Delia Bautista; Jose Vicente","Benzyne-benzyne-RNC or CO triple sequential insertion into the Pd-C bond: synthesis of ten-membered N-heterocycles through stable ten- and eleven-membered palladacycles","Chem.Commun.","2013","49","","7997","","10.1039/c3cc43049a","","","0.71073","highbrilliancemicrofocussealedtubeMoKα","","0.0635","0.0548","","","0.1439","0.1515","","","","","","1.044","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109870","17.903","0.004","10.516","0.002","17.191","0.004","90","","90","","90","","3236.5","1.2","173","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H51 O P Si4 W -","- C19 H51 O P Si4 W -","- C76 H204 O4 P4 Si16 W4 -","4","1","","Laurel A. Morton; Maozhong Miao; Tabitha M. Callaway; Tianniu Chen; Shu-Jian Chen; Albert A. Tuinman; Xianghua Yu; Zheng Lu; Zi-Ling Xue","Reactions of d0 tungsten alkylidyne complexes with O2 or H2O. Formation of an oxo siloxy complex through unusual silyl migrations","Chem.Commun.","2013","49","","9555","","10.1039/c3cc46014b","","","0.71073","MoKα","","0.067","0.0374","","","0.0695","0.0782","","","","","","1.093","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109887","15.8053","0.0016","19.5063","0.0019","20.14","0.002","90","","90","","90","","6209.2","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H28 Cl2 N4 O4 Pd -","- C33 H28 Cl2 N4 O4 Pd -","- C264 H224 Cl16 N32 O32 Pd8 -","8","2","","Henri Doucet; Jitendra K. Bera","Room temperature C-H bond activation on a [PdI-PdI] platform","Chem.Commun.","2013","49","","9764","","10.1039/c3cc44493g","","","0.71073","MoKα","","0.0942","0.0582","","","0.1302","0.1528","","","","","","1.043","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109918","11.8598","0.001","5.6497","0.0004","18.4376","0.0015","90","","90","","90","","1235.4","0.17","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Wenjun Li; Qianfa Jia; Zhiyun Du; Jian Wang","Direct access to triazole-olefins through catalytic cycloaddition of azides to unsaturated aldehydes","Chem.Commun.","2013","49","","10187","","10.1039/c3cc45306e","","","0.71073","MoKα","","0.0524","0.0499","","","0.1278","0.1299","","","","","","1.082","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109966","20.1931","0.0014","20.0328","0.0012","3.9753","0.0003","90","","90","","90","","1608.11","0.19","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H14 Br N O -","- C21 H14 Br N O -","- C84 H56 Br4 N4 O4 -","4","1","","Yi-Ling Tsai; Yu-Shiou Fan; Chia-Jui Lee; Chan-Hui Huang; Utpal Das; Wenwei Lin","An efficient synthesis of trisubstituted oxazoles via chemoselective O-acylations and intramolecular Wittig reactions","Chem.Commun.","2013","49","","10266","","10.1039/c3cc45883k","","","0.71073","MoKα","","0.0554","0.0434","","","0.0959","0.1002","","","","","","1.065","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7110100","25.8365","0.0006","10.665","0.0003","41.6219","0.0009","90","","90","","90","","11468.8","0.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C114.27 H156.53 Cl4.53 N8 O10 -","- C114.267 H148.534 Cl4.534 N8 O10 -","- C457.068 H594.136 Cl18.136 N32 O40 -","4","1","","Monika Vogt; Chao Wu; Allen G. Oliver; Christopher J. Meyer; William F. Schneider; Brandon L. Ashfeld","Site specific carboxylation of abnormal anionic N-heterocyclic dicarbenes with CO2","Chem.Commun.","2013","49","","11527","","10.1039/c3cc46555a","","","1.54184","CuKα","","0.0616","0.0569","","","0.1494","0.1546","","","","","","1.035","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110128","13.897","0.008","19.944","0.011","3.7595","0.0019","90","","90","","90","","1042","1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H9 F O3 -","- C14 H9 F O3 -","- C56 H36 F4 O12 -","4","1","","Tai-Hua Lee; Jayachandran Jayakumar; Chien-Hong Cheng; Shih-Ching Chuang","One pot synthesis of bioactive benzopyranones through palladium-catalyzed C-H activation and CO insertion into 2-arylphenols","Chem.Commun.","2013","49","","11797","","10.1039/c3cc47197g","","","0.71073","MoKα","","0.0591","0.0434","","","0.1243","0.1735","","","","","","1.093","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110182","11.7114","0.0006","17.5321","0.0009","9.3005","0.0004","90","","90","","90","","1909.63","0.16","296","2","296","2","","","","","","","synthesis","4","P n a 21","P 2c -2n","33","","unk","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.0371","0.0334","","","0.0972","0.1101","","","","","","0.412","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110286","10.502","0.0005","11.012","0.0005","25.211","0.0012","90","","90","","90","","2915.6","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H30 Cl2 N4 -","- C34 H30 Cl2 N4 -","- C136 H120 Cl8 N16 -","4","1","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71073","MoKα","","0.054","0.0448","","","0.0901","0.0933","","","","","","1.067","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110313","15.347","0.003","7.6309","0.0014","9.725","0.002","90","","90","","90","","1138.9","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H15 I N2 O -","- C8 H15 I N2 O -","- C32 H60 I4 N8 O4 -","4","1","","Arnold, Polly L.; Rodden, Mark; Davis, Kate M.; Scarisbrick, Andrew C.; Blake, Alexander J.; Wilson, Claire","Asymmetric lithium(i) and copper(ii) alkoxy-N-heterocyclic carbene complexes; crystallographic characterisation and Lewis acid catalysisElectronic supplementary information (ESI) available: full synthetic and structural details. See http://www.rsc.org/suppdata/cc/b4/b404614e/","Chemical Communications","2004","","14","1612","1613","10.1039/b404614e","","","0.71073","MoKα","","0.0144","0.0141","","","0.0363","0.0365","","","","","","1.024","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110401","15.7057","0.0015","9.7173","0.0009","19.5089","0.0015","90","","90","","90","","2977.4","0.5","230","2","230","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H34 Al3 Cl3 N2 O2 -","- C24 H34 Al3 Cl3 N2 O2 -","- C96 H136 Al12 Cl12 N8 O8 -","4","1","","Corden, Jonathan P.; Errington, William; Moore, Peter; Wallbridge, Malcolm G. H.","Stereochemical control of cis- and trans-TiCl2 groups in six-coordinate complexes [(L)TiCl2] (L2− = N2O2-donor Schiff base) and reactions with trimethylaluminium to form cationic aluminium species","Chemical Communications","1999","","4","323","","10.1039/a808372j","","","0.71073","MoKα","","0.1187","0.0735","","","0.1607","0.1905","","","","","","1.071","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110574","50.655","0.003","15.5224","0.0011","12.5356","0.0008","90","","90","","90","","9856.6","1.1","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H21 I7 P Se -","- C9 H21 I7 P Se -","- C144 H336 I112 P16 Se16 -","16","4","","Seppälä, Emma; Ruthe, Frank; Jeske, Jörg; du Mont, Wolf-W.; Jones, Peter G.","Coordination and oxidation of phosphine selenides with iodine: from cation pairs [(R3PSe)2I+]2 to (iodoseleno)phosphonium ions [R3PSeI]+ existing as guests in polyiodide matrices","Chemical Communications","1999","","16","1471","","10.1039/a903249e","","","0.71073","MoKα","","0.091","0.0585","","","0.1093","0.118","","","","","","0.952","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7110662","19.231","0.002","9.52","0.001","30.089","0.003","90","","90","","90","","5508.7","1","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H26 S6 -","- C28 H26 S6 -","- C224 H208 S48 -","8","2","","Finn, Terry; Bryce, Martin R.; Batsanov, Andrei S.; Howard, Judith A. K.","The first bridged 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives: strained redox-active cyclophanes","Chemical Communications","1999","","18","1835","","10.1039/a905938e","","","0.71073","MoKα","","0.1108","0.0487","","","0.0816","0.0993","","","","","","1","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110692","18.6903","0.0015","12.3699","0.001","14.2711","0.001","90","","90","","90","","3299.4","0.4","203","2","203","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C28 H23 B Cl3 I N6 S3 Zn -","- C28 H23 B Cl3 I N6 S3 Zn -","- C112 H92 B4 Cl12 I4 N24 S12 Zn4 -","4","1","","Kimblin, Clare; Bridgewater, Brian M.; Churchill, David G.; Parkin, Gerard","Mononuclear tris(2-mercapto-1-arylimidazolyl)hydroborato complexes of zinc, [TmAr]ZnX: structural evidence that a sulfur rich coordination environment promotes the formation of a tetrahedral alcohol complex in a synthetic analogue of LADH","Chemical Communications","1999","","22","2301","","10.1039/a906561j","","","0.71073","MoKα","","0.0776","0.0417","","","0.0614","0.0693","","","","","","0.96","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110722","26.96","0.005","5.916","0.002","10.299","0.003","90","","90","","90","","1642.6","0.8","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","[C2tBu2P2NPh]","","","- C16 H23 N P2 -","- C16 H23 N P2 -","- C64 H92 N4 P8 -","4","1","","Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Nixon, John F.; James Wilson, D.; Tabellion, Frank; Fischbeck, Uwe; Preuss, Fritz; Regitz, Manfred","Synthetic, structural and theoretical studies on new aromatic 1,2,4-azadiphosphole ring systems: crystal and molecular structure of P2C2But2NPh","Chemical Communications","1999","","23","2363","","10.1039/a907550j","","","0.71073","MoKα","","0.069","0.0444","","0.1058","0.086","","","","1.11","1.031","1.031","","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110782","22.306","0.002","9.9944","0.0009","16.0091","0.0015","90","","90","","90","","3569","0.6","173","2","173","2","","","","","","","Prof. Timothy P. Hanusa, Vanderbilt U","6","P n a 21","P 2c -2n","33","99141","","","- C28 H61 B Ca O2 Si3 -","- C28 H61 B Ca O2 Si3 -","- C112 H244 B4 Ca4 O8 Si12 -","4","1","","Harvey, Melanie J.; Hanusa, Timothy P.; Pink, Maren","Unusual stability of the coordinated triethylborohydride anion in an alkaline-earth metal complex: crystallographic characterization of [Ca(HBEt3){1,2,4-C5(SiMe3)3H2}(thf)2]","Chemical Communications","2000","","6","489","","10.1039/a908674i","","","0.71073","MoKα","","0.079","0.049","","0.1316","0.1175","","","","0.963","1.037","1.037","","","","","has coordinates,has disorder","180221","2020-10-21","18:00:00",""
"7111002","26.665","0.007","14.449","0.003","25.967","0.005","90","","90","","90","","10005","4","143","2","143","2","","","","","","","","8","P n a 21","P 2c -2n","33","1","","","- C112 H78 Cl6 N6 O8 P6 Pb Pd2 -","- C112 H78 Cl6 N6 O8 P6 Pb Pd2 -","- C448 H312 Cl24 N24 O32 P24 Pb4 Pd8 -","4","1","","Catalano, Vincent J.; Bennett, Byron L.; Noll, Bruce C.","Pt(0) and Pd(0) based metallocryptands: metallophilic hosts for Pb(ii) ion","Chemical Communications","2000","","15","1413","","10.1039/b003758n","","","0.71073","MoKα","","0.0523","0.0396","","","0.0762","0.0803","","","","","","0.926","","","","has coordinates,has disorder","180224","2020-10-21","18:00:00",""
"7111020","11.6682","0.0002","16.8825","0.0004","20.998","0.0004","90","","90","","90","","4136.36","0.14","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H70 Li2 Mg2 N4 Si4 -","- C30 H70 Li2 Mg2 N4 Si4 -","- C120 H280 Li8 Mg8 N16 Si16 -","4","1","","Barr, Lorna; Kennedy, Alan R.; MacLellan, Jonathan G.; Moir, Jennifer H.; Mulvey, Robert E.; Rodger, Philip J. A.","Synthesis of the mixed lithium‒magnesium, mixed amide (R,R/S,S)-[{LiMg(TMP)[CH2Si(Me)2N(SiMe3)]}2]: a conformationally-locked structure of five fused rings inducing two stereogenic nitrogen centres","Chemical Communications","2000","","18","1757","","10.1039/b004317f","","","0.71073","MoKα","","0.0979","0.0504","","","0.102","0.1181","","","","","","0.982","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111030","20.067","0.002","14.271","0.003","8.775","0.005","90","","90","","90","","2513","1.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","[(C5Me5)Ir(P2C2tBu2NtBu)]","","","- C24 H42 Ir N P2 -","- C24 H42 Ir N P2 -","- C96 H168 Ir4 N4 P8 -","4","1","","Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Nixon, John F.; Wilson, D. James; Schiemann, Udo; Streubel, Rainer","Syntheses of complexes containing the novel 1,2,3-azadiphosphole and 1,2,5-azadiphosphole ring systems: crystal and molecular structure of [Ir(η5-C5Me5)(η4-(ButCPNButPCBut)]","Chemical Communications","2000","","17","1659","","10.1039/b004692m","","","0.71073","MoKα","","0.0253","0.0215","","","0.0494","0.0508","","","","","","1.041","","","","has coordinates,has disorder","180224","2020-10-21","18:00:00",""
"7111033","18.3979","0.0009","10.7098","0.0006","17.2722","0.0006","90","","90","","90","","3403.3","0.3","293","2","293","2","","","","","","","-","6","P n a 21","P 2c -2n","33","","","","- C24.5 H49 Cl3 N6 P2 Pt -","- C24.5 H49 Cl3 N6 P2 Pt -","- C98 H196 Cl12 N24 P8 Pt4 -","4","1","","Clarke, Matthew L.; Cole-Hamilton, David J.; Slawin, Alexandra M. Z.; Woollins, J. Derek","P‒N bond formation as a route to highly electron rich phosphine ligands","Chemical Communications","2000","","20","2065","","10.1039/b004893n","","","0.71073","MoKα","","0.0638","0.0428","","0.1247","0.0929","","","","0.748","0.853","0.853","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111157","61.6208","0.0006","15.6174","0.0006","15.3123","0.0009","90","","90","","90","","14735.9","1","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C110 H202 O27 Si16 Ti3 -","- C110 H202 O27 Si16 Ti3 -","- C440 H808 O108 Si64 Ti12 -","4","1","","Edelmann, Frank T.; Gießmann, Stephan; Fischer, Axel","A novel route to advanced model systems for silica-immobilized olefin polymerization catalysts","Chemical Communications","2000","","21","2153","","10.1039/b007854i","","","0.71073","MoKα","","0.1851","0.1189","","","0.2995","0.345","","","","","","1.061","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111178","13.218","0.0011","15.8021","0.0013","20.8468","0.0018","90","","90","","90","","4354.3","0.6","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","RATPA-c","","","- C17 H28 Cl4 N3 P Ru -","- C17 H28 Cl4 N3 P Ru -","- C136 H224 Cl32 N24 P8 Ru8 -","8","2","","Allardyce, Claire S.; Dyson, Paul J.; Ellis, David J.; Heath, Sarah L.","[Ru(η6-p-cymene)Cl2(pta)] (pta = 1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane): a water soluble compound that exhibits pH dependent DNA binding providing selectivity for diseased cells","Chemical Communications","2001","","15","1396","","10.1039/b104021a","","","0.71073","MoKα","","0.0547","0.0476","","","0.1225","0.127","","","","","","1.06","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111232","20.794","0.0009","5.2272","0.0002","17.9628","0.001","90","","90","","90","","1952.46","0.16","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C4 H16 N2 O17 P4 Zn5 -","- C4 H14 N2 O17 P4 Zn5 -","- C16 H56 N8 O68 P16 Zn20 -","4","1","","Song, Yu; Yu, Jihong; Li, Guanghua; Li, Yi; Wang, Yu; Xu, Ruren","Combinatorial approach for the hydrothermal syntheses of open-framework zinc phosphates","Chemical Communications","2002","","16","1720","","10.1039/b204496j","","","0.71073","MoKα","","0.0393","0.0339","","","0.0827","0.0851","","","","","","1.009","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111334","8.5444","0.0017","30.933","0.006","8.2339","0.0016","90","","90","","90","","2176.3","0.7","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H28 O7 Zr -","- C18 H28 O7 Zr -","- C72 H112 O28 Zr4 -","4","1","","Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Kessler, Vadim G.","Stabilization and destabilization of zirconium propoxide precursors by acetylacetoneElectronic supplementary information (ESI) available: summary of 1H NMR spectra and CIF files for compounds 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b406012a/","Chemical Communications","2004","","16","1874","1875","10.1039/b406012a","","","0.71073","MoKα","","0.1066","0.0681","","","0.1609","0.1755","","","","","","0.947","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111503","29.397","0.004","12.4786","0.0017","12.7216","0.0017","90","","90","","90","","4666.7","1.1","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","t-bu-calix[4]arene mesitylene","","","- C53 H68 O4 -","- C53 H68 O4 -","- C212 H272 O16 -","4","1","","Ripmeester, J. A.; Enright, G. D.; Ratcliffe, C. I.; Udachin, K. A.; Moudrakovski, I. L.","What we have learned from the study of solid p-tert-butylcalix[4]arene compounds","Chemical Communications","2006","","48","4986","4996","10.1039/b605275d","","","0.71073","MoKα","","0.1133","0.0704","","","0.1593","0.1764","","","","","","1.064","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111532","23.565","0.002","10.8079","0.001","6.5185","0.0006","90","","90","","90","","1660.2","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H23 N O Si -","- C19 H23 N O Si -","- C76 H92 N4 O4 Si4 -","4","1","","Boissel, Valerie; Simpkins, Nigel S.; Bhalay, Gurdip; Blake, Alexander J.; Lewis, William","Bridgehead enolates and bridgehead alkenes in a welwistatin model series","Chemical Communications","2009","","11","1398","1400","10.1039/b820674k","","","0.71073","MoKα","","0.0502","0.0349","","","0.0694","0.0741","","","","","","0.93","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111562","24.36","0.006","11.062","0.003","17.424","0.005","90","","90","","90","","4695","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H54 Ge2 N4 S3 Si4 -","- C38 H54 Ge2 N4 S3 Si4 -","- C152 H216 Ge8 N16 S12 Si16 -","4","1","","Leung, Wing-Por; Chiu, Wang-Kin; Chong, Kim-Hung; Mak, Thomas C. W.","Synthesis of a germanium analogue of a dithiocarboxylic acid anhydride from the Ge(i) pyridyl-1-azaallyl dimer","Chemical Communications","2009","","44","6822","6824","10.1039/b916326c","","","0.71073","MoKα","","0.2263","0.0694","","","0.137","0.1943","","","","","","0.928","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111618","21.569","0.003","10.6442","0.0014","17.116","0.002","90","","90","","90","","3929.6","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H68 Li4 O2 Si4 -","- C26 H68 Li4 O2 Si4 -","- C104 H272 Li16 O8 Si16 -","4","1","","Tatic, Tanja; Meindl, Kathrin; Henn, Julian; Pandey, Sushil Kumar; Stalke, Dietmar","The first asymmetric organolithium tetramers with simple ether donor bases","Chemical Communications","2010","46","25","4562","4564","10.1039/c002504f","","","0.71073","MoKα","","0.0725","0.0588","","","0.152","0.1619","","","","","","1.079","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111667","15.944","0.0006","22.8376","0.0007","18.0016","0.0007","90","","90","","90","","6554.8","0.4","115","2","115","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 1+(PF6) in text","","","- C44 H97 Cl2 F6 Fe3 P13 -","- C44 H97 Cl2 F6 Fe3 P13 -","- C176 H388 Cl8 F24 Fe12 P52 -","4","1","","Hoffert, Wesley A.; Rappé, Anthony K.; Shores, Matthew P.","Intramolecular charge transfer in a trinuclear iron ene-triyne complex","Chemical Communications","2010","46","26","4710","4712","10.1039/c0cc00202j","","","0.71073","MoKα","","0.0688","0.0557","","","0.1391","0.1508","","","","","","1.068","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111818","19.5327","0.0003","10.9126","0.0001","39.6368","0.0008","90","","90","","90","","8448.7","0.2","293","2","293","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C41 H34 F6 Fe N9 O6.5 S2 -","- C41 H34 F6 Fe N9 O6.5 S2 -","- C328 H272 F48 Fe8 N72 O52 S16 -","8","2","","Jozsef S. Pap; Apparao Draksharapu; Michel Giorgi; Wesley R. Browne; Jozsef Kaizer; Gabor Speier","Stabilisation of mu-peroxido-bridged Fe(III) intermediates with non-symmetric bidentate N-donor ligands","Chem.Commun.","2014","50","","1326","","10.1039/c3cc48196d","","x-ray","0.71073","MoKα","","0.1967","0.0695","","","0.151","0.1928","","","","","","0.939","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111974","21.3524","0.0009","9.1271","0.0004","30.4606","0.0016","90","","90","","90","","5936.3","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H32 Cl Fe N3 O5.5 -","- C29 H32 Cl Fe N3 O5.5 -","- C232 H256 Cl8 Fe8 N24 O44 -","8","2","","Javier Ruiz; Lucia Garcia; Carmen Mejuto; Marilin Vivanco; M. Rosario Diaz; Santiago Garcia-Grand","Strong electron-donating metalla-N-heterocyclic carbenes","Chem.Commun.","2014","50","","2129","","10.1039/c3cc47987k","","","0.7107","MoKα","","0.1751","0.0859","","","0.1968","0.2631","","","","","","1.014","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111975","25.0135","0.0006","10.895","0.0003","17.0457","0.0004","90","","90","","90","","4645.3","0.2","150","0.1","150","0.1","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C48 H58 Cl F6 Fe N4 O2 P Ru -","- C48 H58 Cl F6 Fe N4 O2 P Ru -","- C192 H232 Cl4 F24 Fe4 N16 O8 P4 Ru4 -","4","1","","Javier Ruiz; Lucia Garcia; Carmen Mejuto; Marilin Vivanco; M. Rosario Diaz; Santiago Garcia-Grand","Strong electron-donating metalla-N-heterocyclic carbenes","Chem.Commun.","2014","50","","2129","","10.1039/c3cc47987k","","","0.7107","MoKα","","0.091","0.0611","","","0.0902","0.0998","","","","","","1.054","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7112077","23.271","0.005","10.689","0.005","22.097","0.005","90","","90","","90","","5496","3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H84 K N3 O4 -","- C55 H84 K N3 O4 -","- C220 H336 K4 N12 O16 -","4","1","","Andreas A. Danopoulos; Pierre Braunstein","'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers","Chem.Commun.","2014","50","","3055","","10.1039/c3cc49517e","","","1.54178","CuKα","","0.0776","0.0658","","","0.1858","0.1975","","","","","","1.049","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112207","10.2086","0.0005","7.3342","0.0006","23.4547","0.0012","90","","90","","90","","1756.1","0.19","301.19","0.1","301.19","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C84 H76 N4 O8 S4 -","4","1","","Xiaohui Fan; Hao Lv; Yong-Hong Guan; Hong-Bo Zhu; Xiao-Meng Cui; Kun Guo","Assembly of indenamine derivatives through in situ formed N-sulfonyliminium ion initiated cyclization","Chem.Commun.","2014","50","","4119","","10.1039/C4CC00310A","","","0.7107","MoKα","","0.0771","0.0492","","","0.0781","0.0909","","","","","","1.024","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112343","24.2423","0.0016","25.3429","0.0017","9.7891","0.0007","90","","90","","90","","6014.1","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H83 Cl4 N5 O4 -","- C63 H83 Cl4 N5 O4 -","- C252 H332 Cl16 N20 O16 -","4","1","","Tresca, Blakely W.; Zakharov, Lev N.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M.","Aryl C-H···Cl(-) hydrogen bonding in a fluorescent anion sensor.","Chemical communications (Cambridge, England)","2013","49","65","7240","7242","10.1039/c3cc44574g","","","0.71073","MoKα","","0.067","0.0614","","","0.1674","0.1737","","","","","","1.054","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112559","8.3576","0.001","19.611","0.002","8.8256","0.0009","90","","90","","90","","1446.5","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H25 N O -","- C16 H25 N O -","- C64 H100 N4 O4 -","4","1","","Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten","Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.","Chemical communications (Cambridge, England)","2012","48","86","10612","10614","10.1039/c2cc35888c","","","0.71073","MoKα","","0.0674","0.0369","","","0.0531","0.0555","","","","","","1.01","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112568","11.372","0.004","11.428","0.005","11.129","0.004","90","","90","","90","","1446.3","1","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","none","","","- C13 H21 B F3 P -","- C13 H21 B F3 P -","- C52 H84 B4 F12 P4 -","4","1","","Li, Zibo; Chansaenpak, Kantapat; Liu, Shuanglong; Wade, Casey R.; Conti, Peter S.; Gabbaï, François P.","Harvesting 18F-fluoride ions in water via direct 18F‒19F isotopic exchange: radiofluorination of zwitterionic aryltrifluoroborates and in vivo stability studies","MedChemComm","2012","3","10","1305","","10.1039/c2md20105d","","","0.71073","MoKα","","0.0301","0.0285","","","0.0706","0.0715","","","","","","1.047","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7113140","14.847","0.0002","19.3771","0.0003","12.028","0.0004","90","","90","","90","","3460.36","0.14","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H63 Mg N4 Na Si -","- C28 H63 Mg N4 Na Si -","- C112 H252 Mg4 N16 Na4 Si4 -","4","1","","Blair, Victoria L.; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.","Structural complexity of the magnesiation of furan: an octadecanuclear product with a subporphyrin-like Mg3(2,5-fur-di-yl)3 substructure.","Chemical communications (Cambridge, England)","2008","","42","5426","5428","10.1039/b812147h","","","0.71073","MoKα","","0.0732","0.0495","","","0.1089","0.121","","","","","","1.048","","","","has coordinates,has disorder","180245","2020-10-21","18:00:00",""
"7113315","13.6312","0.0015","9.0492","0.001","27.107","0.003","90","","90","","90","","3343.7","0.6","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H19 N -","- C23 H19 N -","- C184 H152 N8 -","8","2","","Zhou, Wang; Lei, Jianhua","Palladium-catalyzed synthesis of polysubstituted quinolines from 2-amino aromatic ketones and alkynes","Chemical Communications (Cambridge, United Kingdom)","2014","50","42","5583","5585","10.1039/c4cc00939h","","","0.71073","MoKα","","0.0402","0.0337","","","0.0949","0.099","","","","","","1.016","","","","has coordinates","210863","2020-10-21","18:00:00",""
"7113937","13.948","0.003","10.4836","0.0018","11.642","0.002","90","","90","","90","","1702.4","0.6","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H15 N2 P Se2 -","- C16 H15 N2 P Se2 -","- C64 H60 N8 P4 Se8 -","4","1","","Laura Ascherl; Andreas Nordheider; Kasun S. Athukorala Arachchige; David B. Cordes; Konstantin Karaghiosoff; Michael Buhl; Alexandra M. Z. Slawin; J. Derek Woollins","The activation of Woollins' reagent. Isolation of pyridine stabilised PhPSe2","Chem.Commun.","2014","50","","6214","","10.1039/C4CC01073F","","","0.71075","MoKα","","","0.0392","","","","0.0803","","","","","","1.055","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113982","6.696","0.005","18.484","0.005","7.461","0.005","90","0.005","90","0.005","90","0.005","923.4","1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C8 H14 O6 -","- C8 H14 O6 -","- C32 H56 O24 -","4","1","","Raja Mohanrao; Aromal Asokan; Kana M. Sureshan","Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization","Chem.Commun.","2014","50","","6707","","10.1039/C4CC00868E","","","0.71073","MoKα","","0.0231","0.0226","","","0.0617","0.062","","","","","","1.091","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7114074","19.482","0.005","24.081","0.005","9.337","0.005","90","","90","","90","","4380","3","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H42 Cl3 P3 Pd S2 -","- C46 H42 Cl3 P3 Pd S2 -","- C184 H168 Cl12 P12 Pd4 S8 -","4","1","","Doux, Marjolaine; Mézailles, Nicolas; Melaimi, Mohand; Ricard, Louis; Le Floch, Pascal","A σ4, λ5-phosphinine palladium complex: a new type of phosphorus ligand and catalyst. Application to the Pd-catalyzed formation of arylboronic estersElectronic supplementary information (RSI) available: experimental procedures for a detailed preparation of complex 4 and cross-coupling experiments. See http://www.rsc.org/suppdata/cc/b2/b203550b/","Chemical Communications","2002","","15","1566","","10.1039/b203550b","","","0.71069","MoKα","","0.0698","0.0475","","","0.1015","0.1106","","","","","","1.028","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114117","15.8874","0.0007","10.2802","0.0004","13.2006","0.0006","90","","90","","90","","2156","0.16","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H35 N Si Zr -","- C21 H35 N Si Zr -","- C84 H140 N4 Si4 Zr4 -","4","1","","Jin, Jizhu; Wilson, David R.; Chen, Eugene Y.-X.","Monoalkyl, chiral-at-metal ‘constrained geometry’ complexes as efficient α-olefin and methyl methacrylate polymerisation catalysts","Chemical Communications","2002","","7","708","","10.1039/b201346k","","","0.71073","MoKα","","0.0428","0.0351","","","0.0926","0.0993","","","","","","1.038","","","","has coordinates,has disorder","180255","2020-10-21","18:00:00",""
"7114119","31.6","0.007","5.6302","0.0012","10.199","0.006","90","","90","","90","","1814.5","1.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 O2 S2 -","- C22 H18 O2 S2 -","- C88 H72 O8 S8 -","4","1","","Joseph, Bubbly K.; Verghese, Babu; Sudarsanakumar, C.; Deepa, S.; Viswam, Dhanya; Chandran, Prakash; Asokan, C. V.","Highly facile and stereoselective intramolecular [2+2]photocycloadditions of bis(alkenoyl)ketenedithioacetals","Chemical Communications","2002","","7","736","","10.1039/b200395n","","","1.5418","CuKα","","0.0561","0.0479","","","0.1263","0.1375","","","","","","1.143","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114364","14.797","0.005","7.552","0.003","12","0.004","90","","90","","90","","1341","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl4 Hf N2 -","- C6 H16 Cl4 Hf N2 -","- C24 H64 Cl16 Hf4 N8 -","4","1","","Frank, Dieter; Baumgartner, Judith; Marschner, Christoph","First successful reaction of a silyl anion with hafnium tetrachloride","Chemical Communications","2002","","11","1190","","10.1039/b201508k","","","0.71073","MoKα","","0.045","0.0329","","","0.0574","0.0598","","","","","","0.848","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114549","14.62","0.004","8.551","0.002","13.214","0.003","90","","90","","90","","1652","0.7","88","2","88","2","","","","","","","","4","P n a 21","P 2c -2n","33","[Mn2(pyridazine)2(N3)4]n","","","- C8 H8 Mn2 N16 -","- C8 H8 Mn2 N16 -","- C32 H32 Mn8 N64 -","4","1","","Escuer, Albert; Vicente, Ramon; Mautner, Franz A.; Goher, Mohamed A. S.; Abu-Youssef, Morsy A. M.","[M(N3)2(L)]n: building 3-D MII‒azido networks with new topologies","Chemical Communications","2002","","1","64","","10.1039/b108812b","","","0.71069","MoKα","","0.0647","0.0477","","0.234","0.0995","","","","1.076","1.086","1.086","","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114608","22.4845","0.0005","15.3897","0.0005","12.7631","0.0003","90","","90","","90","","4416.4","0.2","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H56 Cl2 Cu2 N4 O -","- C48 H56 Cl2 Cu2 N4 O -","- C192 H224 Cl8 Cu8 N16 O4 -","4","1","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","0.7107","MoKα","","0.0457","0.0385","","","0.0964","0.1018","","","","","","1.059","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114651","15.081","0.005","16.728","0.005","13.061","0.005","90","","90","","90","","3295","1.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H33 Dy N6 O12 -","- C30 H33 Dy N6 O12 -","- C120 H132 Dy4 N24 O48 -","4","1","","Qing-Yuan Yang; Kai Wu; Ji-Jun Jiang; Chien-Wei Hsu; Mei Pan; Jean-Marie Lehn; Cheng-Yong Su","Pure white-light and yellow-to-blue emission tuning in single crystals of Dy(III) metal-organic frameworks","Chem.Commun.","2014","50","","7702","","10.1039/C4CC01763C","","","0.71073","MoKα","","0.081","0.0481","","","0.0894","0.0981","","","","","","0.998","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114680","15.5947","0.0008","10.317","0.0005","18.4572","0.0009","90","","90","","90","","2969.6","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H37 Mo N5 Si2 -","- C28 H37 Mo N5 Si2 -","- C112 H148 Mo4 N20 Si8 -","4","1","","Cameron, Thomas M.; Abboud, Khalil A.; Boncella, James M.","Unusual molybdenum mediated C‒N bond activation","Chemical Communications","2001","","13","1224","","10.1039/b101894i","","","0.71073","MoKα","","0.0247","0.0218","","","0.0517","0.053","","","","","","0.994","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114803","27.4017","0.0006","20.5783","0.0003","9.9928","0.0003","90","","90","","90","","5634.7","0.2","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-2,6 diethylphenyl 4 t-butylbenzamide","","","- C21 H27 N O -","- C21 H27 N O -","- C252 H324 N12 O12 -","12","3","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.6956","","","0.2102","0.1802","","","0.4246","0.4368","","","","","","1.104","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114858","8.7419","0.0018","15.71","0.003","13.3","0.0017","90","","90","","90","","1826.6","0.6","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C64 H80 B40 -","4","1","","Jeon, Joonsang; Kitamura, Tsugio; Yoo, Byung-Woo; Kang, Sang Ook; Ko, Jaejung","Synthesis and reactivity of an efficient 1,2-dehydrocarborane precursor, phenyl[o-(trimethylsilyl)carboranyl]iodonium acetate","Chemical Communications","2001","","20","2110","","10.1039/b107343e","","","0.71073","MoKα","","0.1616","0.0842","","","0.1912","0.2401","","","","","","1.044","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114976","15.252","0.002","8.516","0.0006","6.1817","0.0007","90","","90","","90","","802.92","0.15","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-iodo-2,3,5,6-fluoro-benzonitrile","","- C7 F4 I N -","- C7 F4 I N -","- C28 F16 I4 N4 -","4","1","","Bond, Andrew D.; Griffiths, Joanna; Rawson, Jeremy M.; Hulliger, Jürg","Inducing structural polarity using fluorinated organics: X-ray crystal structures of p-XC6F4CN (X = Cl, Br, I)Electronic supplementary data (ESI) available: the crystal structure of p-BrC6F4CN in .pdb format. See http://www.rsc.org/suppdata/cc/b1/b107665p/","Chemical Communications","2001","","23","2488","","10.1039/b107665p","","","0.71073","MoKα","","0.0628","0.0417","","","0.0972","0.1051","","","","","","1.027","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7114977","14.6736","0.0012","8.2804","0.0005","6.1368","0.0005","90","","90","","90","","745.64","0.1","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-bromo-2,3,5,6-fluorobenzonitrile","","- C7 Br F4 N -","- C7 Br F4 N -","- C28 Br4 F16 N4 -","4","1","","Bond, Andrew D.; Griffiths, Joanna; Rawson, Jeremy M.; Hulliger, Jürg","Inducing structural polarity using fluorinated organics: X-ray crystal structures of p-XC6F4CN (X = Cl, Br, I)Electronic supplementary data (ESI) available: the crystal structure of p-BrC6F4CN in .pdb format. See http://www.rsc.org/suppdata/cc/b1/b107665p/","Chemical Communications","2001","","23","2488","","10.1039/b107665p","","","0.71073","MoKα","","0.0673","0.0447","","","0.0908","0.1002","","","","","","1.066","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7114984","22.7641","0.0008","13.3249","0.0003","19.5994","0.0008","90","","90","","90","","5945.1","0.3","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","complex1c","","","- C60 H56 Au2 Cl4 F6 O4 P4 -","- C60 H56 Au2 Cl4 F6 O4 P4 -","- C240 H224 Au8 Cl16 F24 O16 P16 -","4","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Polymers and rings in gold(I) diphosphine complexes: linking gold rings through aurophilic interactions","Chemical Communications","2001","","14","1280","","10.1039/b103020p","","","0.71073","MoKα","","0.1602","0.0739","","","0.1787","0.2045","","","","","","0.923","","","","has coordinates","188979","2020-10-21","18:00:00",""
"7115057","23.1015","0.0012","9.3748","0.0005","35.953","0.0018","90","","90","","90","","7786.4","0.7","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H57 Cl2 Fe Li N2 O2 -","- C37 H57 Cl2 Fe Li N2 O2 -","- C296 H456 Cl16 Fe8 Li8 N16 O16 -","8","2","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex","Chemical Communications","2001","","17","1542","","10.1039/b103635c","","","0.71073","MoKα","","0.0526","0.0478","","","0.0967","0.0983","","","","","","1.143","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115095","14.105","0.002","9.446","0.001","9.781","0.001","90","","90","","90","","1303.2","0.3","150.2","","150.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H12 Br3 S2 Sb -","- C5 H12 Br3 S2 Sb -","- C20 H48 Br12 S8 Sb4 -","4","1","","Barton, Andrew J.; Hill, Nicholas J.; Levason, William; Patel, Bhavesh; Reid, Gillian","Coordination networks derived from antimony(iii) halide complexes with thio- and seleno-ether ligation","Chemical Communications","2001","","1","95","","10.1039/b007805k","","","0.71073","MoKα","","0.0407","0.041","","0.049","","0.049","","","2.054","","","2.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115343","15.8279","0.0016","14.7391","0.0015","11.544","0.0012","90","","90","","90","","2693.1","0.5","90","0.2","90","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H24 N4 -","- C36 H24 N4 -","- C144 H96 N16 -","4","1","","Hiroaki Yamashita; Jiro Abe","Pentaarylbiimidazole, PABI: an easily synthesized fast photochromic molecule with superior durability","Chem.Commun.","2014","50","","8468","","10.1039/C4cc03137G","","","0.71073","MoKα","","0.0517","0.0396","","","0.0834","0.089","","","","","","1.034","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115389","15.8144","0.0016","19.0204","0.0017","7.3213","0.0009","90","","90","","90","","2202.2","0.4","210","2","210","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H15 F N O4 P W -","- C26 H15 F N O4 P W -","- C104 H60 F4 N4 O16 P4 W4 -","4","1","","Antonia Loibl; Iris de Krom; Evgeny A. Pidko; Manuela Weber; Jelena Wiecko; Christian Muller","Tuning the electronic effects of aromatic phosphorus heterocycles: an unprecedented phosphinine with significant P(pi)-donor properties","Chem.Commun.","2014","50","","8842","","10.1039/C4cc03469D","","","0.71073","MoKα","","0.1122","0.0545","","","0.1086","0.1268","","","","","","0.944","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115447","17.56","0.03","17.03","0.03","5.895","0.01","90","","90","","90","","1763","5","298","2","298","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Kyle D. Reichl; Alexander T. Radosevich","A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts","Chem.Commun.","2014","50","","9302","","10.1039/C4cc03415E","","","0.71073","MoKα","","0.1694","0.0673","","","0.1723","0.2241","","","","","","0.982","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115448","18.887","0.006","14.683","0.004","7.344","0.002","90","","90","","90","","2036.6","1","298","2","298","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Kyle D. Reichl; Alexander T. Radosevich","A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts","Chem.Commun.","2014","50","","9302","","10.1039/C4cc03415E","","","0.71073","MoKα","","0.2507","0.1146","","","0.2053","0.2584","","","","","","1.048","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115944","22.481","0.005","12.174","0.002","20.069","0.004","90","","90","","90","","5492.6","1.9","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","SiR","","","- C30 H36 N2 O2 Si -","- C30 H36 N2 O2 Si -","- C240 H288 N16 O16 Si8 -","8","2","","Wang, Baogang; Chai, Xiaoyun; Zhu, Weiwei; Wang, Ting; Wu, Qiuye","A general approach to spirolactonized Si-rhodamines","Chemical Communications (Cambridge, United Kingdom)","2014","50","92","14374","14377","10.1039/c4cc06178k","","","0.71073","MoKα","","0.0896","0.0456","","","0.0837","0.0938","","","","","","0.849","","","","has coordinates","210742","2020-10-21","18:00:00",""
"7116064","11.595","0.004","3.844","0.0014","26.917","0.008","90","","90","","90","","1199.7","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N O4 -","- C15 H9 N O4 -","- C60 H36 N4 O16 -","4","1","","Wei Ji; Guofeng Liu; Mingxin Xu; Xiaoqiu Dou; Chuanliang Feng","Rational design of coumarin-based supramolecular hydrogelators for cell imaging","Chem.Commun.","2014","50","","15545","","10.1039/C4cc06376G","","","0.71073","MoKα","","0.118","0.046","","","0.1143","0.1623","","","","","","0.848","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116143","17.324","0.008","15.968","0.008","5.799","0.003","90","","90","","90","","1604.2","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C68 H60 N4 O16 S4 -","4","1","","Yong-Sheng Zhang; Xiang-Ying Tang; Min Shi","Unprecedented synthesis of aza-bridged benzodioxepine derivatives through a tandem Rh(II)-catalyzed 1,3-rearrangement/[3+2] cycloaddition of carbonyltriazoles","Chem.Commun.","2014","50","","15971","","10.1039/C4cc08339C","","","0.71073","MoKα","","0.1266","0.0658","","","0.148","0.1718","","","","","","0.977","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116162","8.0251","0.0006","25.4919","0.0018","10.5814","0.0008","90","","90","","90","","2164.7","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C92 H80 N8 O16 S8 -","4","1","","Xiang-Ying Tang; Yong-Sheng Zhang; Lv He; Yin Wei; Min Shi","Intramolecular annulation of aromatic rings with N-sulfonyl 1,2,3-triazoles: divergent synthesis of 3-methylene-2,3-dihydrobenzofurans and 3-methylene-2,3-dihydroindoles","Chem.Commun.","2015","51","","133","","10.1039/C4cc08343A","","","0.71073","MoKα","","0.0579","0.0403","","","0.0823","0.089","","","","","","0.981","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116175","16.539","0.003","6.2596","0.0012","11.472","0.002","90","","90","","90","","1187.7","0.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-3-[(Phenylamino)methylene]chroman-2,4-dione","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","","Cagide, F.; Silva, T.; Reis, J.; Gaspar, A.; Borges, F.; Gomes, L. R.; Low, J. N.","Discovery of two new classes of potent monoamine oxidase-B inhibitors by tricky chemistry.","Chemical communications (Cambridge, England)","2015","51","14","2832","","10.1039/c4cc08798d","","","0.71075","MoKα","","0.0818","0.0579","","","0.1184","0.1306","","","","","","1.043","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116200","26.437","0.009","10.311","0.003","9.126","0.003","90","","90","","90","","2487.7","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H22 F7 N2 O3 -","- C21 H22 F7 N2 O3 -","- C84 H88 F28 N8 O12 -","4","1","","Liu, Chunmei; Shi, Erbo; Xu, Feng; Luo, Qiang; Wang, Hongxiang; Chen, Jijun; Wan, Xiaobing","Combination of fluoroalkylation and Kornblum-DeLaMare reaction: a new strategy for the construction of (Z)-β-perfluoroalkyl enaminones.","Chemical communications (Cambridge, England)","2014","51","7","1214","1217","10.1039/c4cc07833k","","","0.7107","MoKα","","0.1706","0.1049","","","0.2433","0.2747","","","","","","1.136","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116264","23.451","0.004","16.433","0.003","16.899","0.003","90","","90","","90","","6512","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","PgC3, bpa, Toluene, MeCN","c-pyrogallol[4]arene, 1,2-Bis(4-pyridyl)acetylene, Toluene, acetonitrile","","- C73 H75 N5 O12 -","- C73 H75 N5 O12 -","- C292 H300 N20 O48 -","4","1","","Patil, Rahul S.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering supramolecular organic frameworks (SOFs) of C-alkylpyrogallol[4]arene with bipyridine-based spacers.","Chemical communications (Cambridge, England)","2015","51","12","2304","2307","10.1039/c4cc08388a","","","0.71073","MoKα","","0.0619","0.0526","","","0.136","0.1437","","","","","","1.032","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7116323","11.9949","0.0006","20.6933","0.001","3.7537","0.0002","90","","90","","90","","931.72","0.08","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H7 N3 O2 -","- C11 H7 N3 O2 -","- C44 H28 N12 O8 -","4","1","","Rajarshi Samanta; Rishikesh Narayan; Jonathan O. Bauer; Carsten Strohmann; Sonja Sievers; Andrey P. Antonchick","Oxidative regioselective amination of chromones exposes potent inhibitors of the hedgehog signaling pathway","Chem.Commun.","2015","51","","925","","10.1039/C4cc08376H","","","0.71073","MoKα","","0.0272","0.0258","","","0.0656","0.0665","","","","","","1","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116334","12.93","0.002","9.3159","0.0015","21.663","0.004","90","","90","","90","","2609.4","0.8","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","2","","Raymond C. F. Jones; Alexander Chatterley; Romain Marty; W. Martin Owton; Mark R. J. Elsegood","Isoxazole to oxazole: a mild and unexpected transformation","Chem.Commun.","2015","51","","1112","","10.1039/C4cc07999J","","","0.71073","MoKα","","0.0457","0.0354","","","0.0828","0.0882","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7116715","7.4869","0.0001","19.718","0.0003","11.2222","0.0002","90","","90","","90","","1656.7","0.04","173","0.14","173","0.14","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Lingzhi Li; Ming Chen; Haoke Zhang; Han Nie; Jing Zhi Sun; Anjun Qin; Ben Zhong Tang","Influence of the number and substitution position of phenyl groups on the aggregation-enhanced emission of benzene-cored luminogens","Chem.Commun.","2015","51","","4830","","10.1039/C5cc00241A","","x-ray","1.5418","CuKα","","0.0288","0.0284","","","0.0726","0.073","","","","","","1.005","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116795","17.0837","0.0007","12.5402","0.0005","9.2795","0.0008","90","","90","","90","","1988","0.2","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H31 Cl Cu N4 O6 -","- C13 H31 Cl Cu N4 O6 -","- C52 H124 Cl4 Cu4 N16 O24 -","4","1","","Athina Anastasaki; Vasiliki Nikolaou; Francesca Brandford-Adams; Gabit Nurumbetov; Qiang Zhang; Guy J. Clarkson; David J. Fox; Paul Wilson; Kristian Kempe; David M. Haddleton","Photo-induced living radical polymerization of acrylates utilizing a discrete copper(II)-formate complex","Chem.Commun.","2015","51","","5626","","10.1039/C4cc09916H","","x-ray","0.71073","MoKα","","0.0858","0.0534","","","0.1324","0.1583","","","","","","1.102","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116821","11.268","0.002","23.152","0.005","8.5403","0.0017","90","","90","","90","","2228","0.8","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H25 B N2 -","- C28 H25 B N2 -","- C112 H100 B4 N8 -","4","1","","Cong Ma; Jianying Zhang; Jianfeng Li; Chunming Cui","Multiple C-H borylation of phenylhydrazones to boron-nitrogen analogues of benzopentalene","Chem.Commun.","2015","51","","5732","","10.1039/C5cc00471C","","","0.71073","MoKα","","0.0598","0.0503","","","0.1239","0.1316","","","","","","1.047","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7117095","23.8585","0.0013","6.8313","0.0004","10.025","0.0006","90","","90","","90","","1633.92","0.16","100.01","0.13","100.01","0.13","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 Fe N2 -","- C22 H16 Fe N2 -","- C88 H64 Fe4 N8 -","4","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.045","0.0389","","","0.1055","0.1087","","","","","","1.177","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117137","17.9634","0.0006","13.9987","0.0004","11.0698","0.0004","90","","90","","90","","2783.66","0.16","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H36 Cl2 F2 N P Pt -","- C29 H36 Cl2 F2 N P Pt -","- C116 H144 Cl8 F8 N4 P4 Pt4 -","4","1","","Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke","Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate","Chem.Commun.","2015","51","","8365","","10.1039/C5cc02355F","","x-ray","0.71073","MoKα","","0.0692","0.0406","","","0.0681","0.0771","","","","","","1.006","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117165","11.5632","0.0004","12.4279","0.0004","19.2238","0.0009","90","","90","","90","","2762.58","0.18","100.01","0.1","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H36 Au Cl N8 O4 -","- C20 H36 Au Cl N8 O4 -","- C80 H144 Au4 Cl4 N32 O16 -","4","1","","Serebryanskaya, T. V.; Zolotarev, A. A.; Ott, I.","A novel aminotriazole-based NHC complex for the design of gold(i) anti-cancer agents: synthesis and biological evaluation","Med. Chem. Commun.","2015","6","6","1186","","10.1039/C5MD00185D","","","1.54184","CuKα","","0.0855","0.0804","","","0.2039","0.2075","","","","","","1.084","","","","has coordinates","143717","2020-10-21","18:00:00",""
"7117232","15.092","0.002","27.737","0.005","15.405","0.003","90","","90","","90","","6448.6","1.9","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C46 H48 Al F36 Li O4 P6 -","- C46 H48 Al F36 Li O4 P6 -","- C184 H192 Al4 F144 Li4 O16 P24 -","4","1","","Marina Carravetta; Maria Concistre; William Levason; Gillian Reid; Wenjian Zhang","Unique Group 1 cations stabilised by homoleptic neutral phosphine coordination","Chem.Commun.","2015","51","","9555","","10.1039/C5cc03184B","","","0.71073","MoKα","","0.1502","0.1012","","","0.2096","0.2363","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117293","24.942","0.003","32.139","0.004","11.1842","0.0015","90","","90","","90","","8965","2","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","C72 H110 Cl Ge P4 Pd2, C18 H B F15, C6 H5 F","","- C96 H116 B Cl F16 Ge P4 Pd2 -","- C96 H116 B Cl F16 Ge P4 Pd2 -","- C384 H464 B4 Cl4 F64 Ge4 P16 Pd8 -","4","1","","Norio Nakata; Noriko Sekizawa; Akihiko Ishii","Cationic dinuclear platinum and palladium complexes with bridging hydrogermylene and hydrido ligands","Chem.Commun.","2015","51","","10111","","10.1039/C5cc03062E","","","0.71073","MoKα","","0.0599","0.0537","","","0.1258","0.1288","","","","","","1.014","","","","has coordinates,has disorder","171772","2020-10-21","18:00:00",""
"7117359","7.4474","0.0003","16.4971","0.0008","12.9089","0.0006","90","","90","","90","","1585.99","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Rac-2-methyl-1-phenyl-2,3,4,5,6,10b-hexahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium chloride","","- C19 H22 Cl N -","- C19 H22 Cl N -","- C76 H88 Cl4 N4 -","4","1","","YoungKu Kang; Matthew T. Richers; Conrad H. Sawicki; Daniel Seidel","C-H functionalization of cyclic amines: redox-annulations with alpha,beta-unsaturated carbonyl compounds","Chem.Commun.","2015","51","","10648","","10.1039/C5cc03390J","","","0.71073","MoKα","","0.0468","0.0422","","","0.0927","0.0951","","","","","","1","","","","has coordinates","139684","2020-10-21","18:00:00",""
"7117408","20.7398","0.0002","9.2018","0.0001","17.6394","0.0002","90","","90","","90","","3366.36","0.06","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H41 N2 O5 P Si3 W -","- C26 H41 N2 O5 P Si3 W -","- C104 H164 N8 O20 P4 Si12 W4 -","4","1","","Nora C. Breit; Tibor Szilvasi; Shigeyoshi Inoue","Facile rotation around a silicon-phosphorus double bond enabled through coordination to tungsten","Chem.Commun.","2015","51","","11272","","10.1039/C5cc04247J","","","1.54184","CuKα","","0.0485","0.0468","","","0.1188","0.121","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117541","14.2384","0.001","16.3862","0.0011","6.845","0.0005","90","","90","","90","","1597.03","0.19","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H8 Ca F4 N2 O8 -","- C13 H8 Ca F4 N2 O8 -","- C52 H32 Ca4 F16 N8 O32 -","4","1","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0366","0.0354","","","0.0913","0.0923","","","","","","1.042","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117546","14.2686","0.001","16.7326","0.0011","7.0181","0.0005","90","","90","","90","","1675.6","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H8 F4 N2 O8 Sr -","- C13 H8 F4 N2 O8 Sr -","- C52 H32 F16 N8 O32 Sr4 -","4","1","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0377","0.0372","","","0.1031","0.1038","","","","","","1.03","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117586","18.9194","0.0013","14.8964","0.0011","20.0103","0.0014","90","","90","","90","","5639.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C73 H67 N2 O P -","- C73 H67 N2 O P -","- C292 H268 N8 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy","Isolation of a Lewis base stabilized parent phosphenium (PH2(+)) and related species.","Chemical communications (Cambridge, England)","2015","51","64","12732","12735","10.1039/c5cc05241f","","","0.71073","MoKα","","0.1014","0.0589","","","0.1034","0.1202","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117668","16.1385","0.0009","14.1014","0.0009","8.2801","0.0004","90","","90","","90","","1884.35","0.18","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H26 B F4 N Ru -","- C18 H26 B F4 N Ru -","- C72 H104 B4 F16 N4 Ru4 -","4","1","","Andrey I. Konovalov; Evgeniya O. Gorbacheva; Fedor M. Miloserdov; Vladimir V. Grushin","Ruthenium-catalyzed nucleophilic fluorination of halobenzenes","Chem.Commun.","2015","51","","13527","","10.1039/C5cc05436B","","","0.71073","MoKα","","0.0616","0.0472","","","0.119","0.1289","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117696","21.3654","0.0009","31.1166","0.0011","10.7124","0.0004","90","","90","","90","","7121.8","0.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C84 H76 Bi Cl3 F2 N2 Sn -","- C84 H76 Bi Cl3 F2 N2 Sn -","- C336 H304 Bi4 Cl12 F8 N8 Sn4 -","4","1","","C. Hering-Junghans; A. Schulz; A. Villinger","A neutral low-coordinate heterocyclic bismuth-in species","Chem.Commun.","2015","51","","13834","","10.1039/C5cc04516A","","","0.71073","MoKα","","0.1493","0.0663","","","0.099","0.1232","","","","","","0.98","","","","has coordinates,has disorder","153814","2020-10-21","18:00:00",""
"7117709","26.9704","0.0003","17.93806","0.00019","21.5915","0.0002","90","","90","","90","","10445.9","0.19","100","0.2","100","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C274 H230 Fe4 N16 O3 -","- C274 H230 Fe4 N16 O3 -","- C548 H460 Fe8 N32 O6 -","2","0.5","","C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher","Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster","Chem.Commun.","2015","51","","13890","","10.1039/C5cc04908C","","","0.71073","MoKα","","0.0641","0.0529","","","0.1203","0.1259","","","","","","1.069","","","","has coordinates,has disorder","153827","2020-10-21","18:00:00",""
"7117793","13.94","","6.01","","8.81","","90","","90","","90","","738.097","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cu (S C N)2 (N H3)2","","- C2 H6 Cu N4 S2 -","- C2 H6 Cu N4 S2 -","- C8 H24 Cu4 N16 S8 -","4","1","","Kabesova, M.; Garaj, J.; Gazo, J.","The nature of the structural differences between the modifications of the dithiocyanate-diamine cupric complex","Collection of Czechoslovak Chemical Communication","1972","37","","942","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7117795","14.3578","0.0016","11.7005","0.0014","8.2619","0.0009","90","","90","","90","","1387.9","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 Br O5 -","- C13 H17 Br O5 -","- C52 H68 Br4 O20 -","4","1","","Jola Pospech; Alastair J. J. Lennox; Matthias Beller","Rhodium-catalysed alkoxylation/acetalization of diazo compounds: one-step synthesis of highly functionalised quaternary carbon centres","Chem.Commun.","2015","51","","14505","","10.1039/C5cc03903G","","","0.71073","MoKα","","0.0262","0.0219","","","0.0472","0.0483","","","","","","1.018","","","","has coordinates","158213","2020-10-21","18:00:00",""
"7118010","16.8019","0.0004","12.4929","0.0003","15.8089","0.0004","90","","90","","90","","3318.36","0.14","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H47 Al N2 O -","- C37 H47 Al N2 O -","- C148 H188 Al4 N8 O4 -","4","1","","Mark R. Crimmin; Michael J. Butler; Andrew J. P. White","Oxidative addition of carbon-fluorine and carbon-oxygen bonds to Al(I)","Chem.Commun.","2015","51","","15994","","10.1039/C5cc07140b","","","0.71073","MoKα","","0.0449","0.0365","","","0.0814","0.0865","","","","","","1.045","","","","has coordinates","169760","2020-10-21","18:00:00",""
"7118013","47.793","0.003","13.1566","0.0009","17.5594","0.0012","90","","90","","90","","11041.2","1.3","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C118 H192 Au2 O P2 -","- C118 H192 Au2 O P2 -","- C472 H768 Au8 O4 P8 -","4","1","","Michael Stollenz; Deeb Taher; Nattamai Bhuvanesh; Joseph H. Reibenspies; Zuzana Baranova; John A. Gladysz","Steric control of the in/out sense of bridgehead substituents in macrobicyclic compounds: isolation of new 'crossed chain' variants of in/out isomers","Chem.Commun.","2015","51","","16053","","10.1039/C5cc05620A","","","1.54178","CuKα","","0.0327","0.0307","","","0.0658","0.0664","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118071","13.678","0.005","10.566","0.005","12.076","0.005","90","","90","","90","","1745.2","1.3","100","2","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H6 Ag N3 O3 -","- C8 H6 Ag N3 O3 -","- C64 H48 Ag8 N24 O24 -","8","2","","Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I.","Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities","Med. Chem. Commun.","2016","7","2","282","","10.1039/C5MD00494B","","x-ray","0.71073","MoKα","","0.0269","0.0219","","","0.0453","0.0474","","","","","","1.056","","","","has coordinates","177881","2020-10-21","18:00:00",""
"7118165","19.9441","0.0006","15.7417","0.0006","14.9924","0.0004","90","","90","","90","","4706.9","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","PCBM-Sc3N@D5h-C80 CS2 solvate","","- C93 H14 N O2 S2 Sc3 -","- C93 H14 N O2 S2 Sc3 -","- C372 H56 N4 O8 S8 Sc12 -","4","1","","Maira R. Ceron; Marta Izquierdo; Nuria Alegret; Juan A. Valdez; Antonio Rodriguez-Fortea; Marilyn M. Olmstead; Alan L. Balch; Josep M. Poblet; Luis Echegoyen","Reactivity differences of Sc3N at C2n (2n = 68 and 80). Synthesis of the first methanofullerene derivatives of Sc3N at D5h-C80","Chem.Commun.","2016","52","","64","","10.1039/C5cc07416A","","","0.7749","synchrotron","","0.1723","0.1649","","","0.3903","0.4","","","","","","1.92","","","","has coordinates","171604","2020-10-21","18:00:00",""
"7118272","13.1669","0.0001","12.7572","0.0001","20.0394","0.0002","90","","90","","90","","3366.07","0.05","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H26 Cl N W -","- C15 H26 Cl N W -","- C120 H208 Cl8 N8 W8 -","8","2","","Wright, Christopher M. R.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot","Tungsten imido catalysts for selective ethylene dimerisation.","Chemical communications (Cambridge, England)","2016","52","13","2850","2853","10.1039/c5cc09386d","","","0.71073","MoKα","","0.0354","0.0298","","","0.0694","0.0728","","","","","","0.963","","","","has coordinates","177639","2020-10-21","18:00:00",""
"7118339","19.5","0.012","6.929","0.004","26.031","0.016","90","","90","","90","","3517","4","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C192 H128 N16 -","8","2","","Deng, Jian; Xu, Yuanxiang; Liu, Liqun; Feng, Cunfang; Tang, Jia; Gao, Yu; Wang, Yan; Yang, Bing; Lu, Ping; Yang, Wensheng; Ma, Yuguang","An ambipolar organic field-effect transistor based on an AIE-active single crystal with a high mobility level of 2.0 cm2V−1s−1","Chem. Commun.","2016","","","","","10.1039/C5CC09702A","","","0.71073","MoKα","","0.1099","0.0948","","","0.2384","0.2529","","","","","","1.048","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7118359","25.3241","0.0016","6.535","0.0005","29.874","0.002","90","","90","","90","","4943.9","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H7 F5 N2 -","- C14 H7 F5 N2 -","- C224 H112 F80 N32 -","16","4","","Laubenstein, R.; Şerb, M-D; Englert, U.; Raabe, G.; Braun, T.; Braun, B.","Is it all in the hinge? A kryptoracemate and three of its alternative racemic polymorphs of an aminonitrile.","Chemical communications (Cambridge, England)","2016","52","6","1214","1217","10.1039/c5cc08992a","","","1.54178","CuKα","","0.1362","0.0607","","","0.109","0.1381","","","","","","1.014","","","","has coordinates","173624","2020-10-21","18:00:00",""
"7118534","18.972","0.002","7.8309","0.0009","13.6741","0.0015","90","","90","","90","","2031.5","0.4","310","2","310","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0535","0.0415","","","0.0962","0.1018","","","","","","1.03","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118535","18.973","0.002","7.8316","0.0009","13.6758","0.0015","90","","90","","90","","2032.1","0.4","310","2","310","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0547","0.0416","","","0.0964","0.1023","","","","","","1.029","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118536","19.1246","0.0011","7.804","0.0005","13.7839","0.0008","90","","90","","90","","2057.2","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0275","0.0257","","","0.0674","0.0684","","","","","","1.095","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118537","19.1221","0.0011","7.8119","0.0005","13.7812","0.0008","90","","90","","90","","2058.6","0.2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0276","0.0258","","","0.0659","0.0669","","","","","","1.092","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118538","19.1203","0.0011","7.8191","0.0004","13.7785","0.0008","90","","90","","90","","2059.9","0.2","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0275","0.0258","","","0.0669","0.0678","","","","","","1.104","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118539","19.1211","0.001","7.8289","0.0004","13.7769","0.0008","90","","90","","90","","2062.36","0.19","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.028","0.0258","","","0.0669","0.068","","","","","","1.099","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118540","19.1196","0.001","7.8379","0.0004","13.7729","0.0007","90","","90","","90","","2063.97","0.18","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0278","0.0255","","","0.0651","0.0663","","","","","","1.092","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118541","19.1195","0.0009","7.8491","0.0004","13.7716","0.0007","90","","90","","90","","2066.72","0.18","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0278","0.0258","","","0.0665","0.0675","","","","","","1.06","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118542","19.1176","0.0009","7.8572","0.0004","13.7712","0.0007","90","","90","","90","","2068.58","0.18","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0293","0.0269","","","0.0692","0.0703","","","","","","1.084","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118543","19.1136","0.0009","7.8642","0.0004","13.7696","0.0006","90","","90","","90","","2069.75","0.17","240","2","240","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0297","0.0274","","","0.0732","0.0746","","","","","","1.074","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118544","19.1062","0.0009","7.8702","0.0004","13.7665","0.0007","90","","90","","90","","2070.06","0.18","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0314","0.0284","","","0.0751","0.077","","","","","","1.062","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118545","19.1073","0.0009","7.8706","0.0004","13.7668","0.0006","90","","90","","90","","2070.33","0.17","260","2","260","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O7 Zn -","- C22 H20 N2 O7 Zn -","- C88 H80 N8 O28 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0317","0.0288","","","0.0754","0.0771","","","","","","1.067","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118546","18.9732","0.0017","7.753","0.0007","13.6972","0.0012","90","","90","","90","","2014.8","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0409","0.0354","","","0.0854","0.0881","","","","","","1.059","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118547","18.9781","0.0018","7.766","0.0008","13.6963","0.0013","90","","90","","90","","2018.6","0.3","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0425","0.036","","","0.0866","0.0901","","","","","","1.06","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118548","18.976","0.002","7.7768","0.0008","13.692","0.0014","90","","90","","90","","2020.6","0.4","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0434","0.0363","","","0.086","0.0893","","","","","","1.061","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118549","18.977","0.002","7.7881","0.0009","13.689","0.0015","90","","90","","90","","2023.2","0.4","190","2","190","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0446","0.037","","","0.0897","0.0935","","","","","","1.056","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118550","18.983","0.002","7.8009","0.0009","13.6902","0.0016","90","","90","","90","","2027.3","0.4","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0477","0.0387","","","0.0918","0.0958","","","","","","1.057","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118551","18.9745","0.0019","7.808","0.0008","13.6816","0.0014","90","","90","","90","","2027","0.4","250","2","250","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0509","0.0406","","","0.0977","0.1029","","","","","","1.045","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118552","18.9725","0.0019","7.8178","0.0008","13.6767","0.0014","90","","90","","90","","2028.6","0.4","280","2","280","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.","Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.","Chemical communications (Cambridge, England)","2016","52","15","3231","3234","10.1039/c6cc00158k","","","0.71073","MoKα","","0.0509","0.0396","","","0.093","0.0979","","","","","","1.044","","","","has coordinates","177661","2020-10-21","18:00:00",""
"7118673","12.7434","0.0003","13.7696","0.0003","16.4706","0.0004","90","","90","","90","","2890.12","0.12","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H44 Al B Cl4 N2 O6 -","- C18 H44 Al B Cl4 N2 O6 -","- C72 H176 Al4 B4 Cl16 N8 O24 -","4","1","","Less, Robert J.; García-Rodríguez, Raúl; Simmonds, Hayley R.; Allen, Lucy K.; Bond, Andrew D.; Wright, Dominic S.","Use of crown ethers to isolate intermediates in ammonia-borane dehydrocoupling reactions.","Chemical communications (Cambridge, England)","2016","52","18","3650","3652","10.1039/c6cc00088f","","","1.54178","CuKα","","0.0412","0.0319","","","0.0681","0.0717","","","","","","1.063","","","","has coordinates","177643","2020-10-21","18:00:00",""
"7118674","19.0847","0.0007","16.0369","0.0006","8.8244","0.0003","90","","90","","90","","2700.79","0.17","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H37 Al B Cl4 N O7 -","- C16 H37 Al B Cl4 N O7 -","- C64 H148 Al4 B4 Cl16 N4 O28 -","4","1","","Less, Robert J.; García-Rodríguez, Raúl; Simmonds, Hayley R.; Allen, Lucy K.; Bond, Andrew D.; Wright, Dominic S.","Use of crown ethers to isolate intermediates in ammonia-borane dehydrocoupling reactions.","Chemical communications (Cambridge, England)","2016","52","18","3650","3652","10.1039/c6cc00088f","","","1.54178","CuKα","","0.1032","0.0987","","","0.2169","0.2191","","","","","","1.424","","","","has coordinates","177643","2020-10-21","18:00:00",""
"7118680","7.0035","0.0005","37.401","0.003","6.0429","0.0004","90","","90","","90","","1582.9","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,2-dichloro-2-nitro-1-(4-nitrophenyl)ethyl benzoate","","- C15 H10 Cl2 N2 O6 -","- C15 H10 Cl2 N2 O6 -","- C60 H40 Cl8 N8 O24 -","4","1","","Ding, Ransheng; Wolf, Christian","Catalytic insertion of aldehydes into dihalonitroacetophenones via sequential bond scission-aldol reaction-acyl transfer.","Chemical communications (Cambridge, England)","2016","52","17","3576","3579","10.1039/c5cc09753c","","","0.71073","MoKα","","0.0278","0.0264","","","0.0661","0.0668","","","","","","1.037","","","","has coordinates","177705","2020-10-21","18:00:00",""
"7118921","11.353","0.007","16.909","0.012","8.235","0.005","90","","90","","90","","1580.9","1.8","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C88 H64 O12 -","4","1","","Mao, Wenbin; Zhu, Chen","Synthesis of highly substituted γ-hydroxybutenolides through the annulation of keto acids with alkynes and subsequent hydroxyl transposition.","Chemical communications (Cambridge, England)","2016","52","30","5269","5272","10.1039/c6cc01554a","","","0.71073","MoKα","","0.0348","0.0315","","","0.075","0.0771","","","","","","1.059","","","","has coordinates","182598","2020-10-21","18:00:00",""
"7118965","13.8205","0.0006","12.5452","0.0006","3.8197","0.0002","90","","90","","90","","662.26","0.06","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra","'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids","Chem.Commun.","2016","52","","7225","","","","","0.71073","MoKα","","0.0323","0.0268","","","0.0601","0.0673","","","","","","1.096","","","","has coordinates","183168","2020-10-21","18:00:00",""
"7118973","19.8378","0.0016","9.3737","0.0008","13.4463","0.0012","90","","90","","90","","2500.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H28 N2 O6 S -","- C26 H28 N2 O6 S -","- C104 H112 N8 O24 S4 -","4","1","","Peng-Long Zhu; Xiang-Ying Tang; Min Shi","Intramolecular cyclizations of cyclopropenes with indole","Chem.Commun.","2016","52","","7245","","","","","0.71073","MoKα","","0.0542","0.0417","","","0.0989","0.1055","","","","","","1.018","","","","has coordinates","183173","2020-10-21","18:00:00",""
"7118975","12.3454","0.0009","8.661","0.0006","22.8626","0.0016","90","","90","","90","","2444.5","0.3","130","","130","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H26 N2 O4 S -","- C28 H26 N2 O4 S -","- C112 H104 N8 O16 S4 -","4","1","","Peng-Long Zhu; Xiang-Ying Tang; Min Shi","Intramolecular cyclizations of cyclopropenes with indole","Chem.Commun.","2016","52","","7245","","","","","0.71073","MoKα","","0.0522","0.0411","","","0.0916","0.0978","","","","","","1.014","","","","has coordinates","183173","2020-10-21","18:00:00",""
"7119104","7.4733","0.0002","17.126","0.0006","9.9156","0.0003","90","","90","","90","","1269.08","0.07","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H12 Cl N O2 Pt S -","- C11 H12 Cl N O2 Pt S -","- C44 H48 Cl4 N4 O8 Pt4 S4 -","4","1","","Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng","Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition","Med. Chem. Commun.","2016","7","9","1802","","10.1039/C6MD00201C","","x-ray","0.71073","MoKα","","0.0681","0.0606","","","0.1408","0.1534","","","","","","1.076","","","","has coordinates","187155","2020-10-21","18:00:00",""
"7119209","26.324","0.002","14.6841","0.0011","5.8835","0.0004","90","","90","","90","","2274.2","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 N3 O4 S2 -","- C24 H25 N3 O4 S2 -","- C96 H100 N12 O16 S8 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0568","0.0403","","","0.0788","0.0848","","","","","","1.053","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119542","20.2206","0.0011","9.2842","0.0005","8.5994","0.0005","90","","90","","90","","1614.38","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 B F4 N -","- C18 H16 B F4 N -","- C72 H64 B4 F16 N4 -","4","1","","Upadhyay, Nitinkumar Satyadev; Jayakumar, Jayachandran; Cheng, Chien-Hong","Facile one-pot synthesis of 2,3-dihydro-1H-indolizinium derivatives by rhodium(iii)-catalyzed intramolecular oxidative annulation via C-H activation: application to ficuseptine synthesis.","Chemical communications (Cambridge, England)","2017","53","16","2491","2494","10.1039/c7cc00008a","","","0.71073","MoKα","","0.0769","0.0511","","","0.1324","0.1486","","","","","","1.037","","","","has coordinates,has disorder","193685","2020-10-21","18:00:00",""
"7119670","26.009","0.0003","6.56488","0.00009","20.4434","0.0003","90","","90","","90","","3490.63","0.08","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H42 B2 N6 O4 -","- C36 H42 B2 N6 O4 -","- C144 H168 B8 N24 O16 -","4","1","","Zhai, Wenlei; Male, Louise; Fossey, John S.","Glucose selective bis-boronic acid click-fluor.","Chemical communications (Cambridge, England)","2017","53","14","2218","2221","10.1039/c6cc08534b","","x-ray","1.54184","CuKα","","0.0423","0.0404","","","0.1026","0.1046","","","","","","1.035","","","","has coordinates","192106","2020-10-21","18:00:00",""
"7119694","17.004","0.009","7.497","0.004","23.151","0.011","90","","90","","90","","2951","3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H12 O2 S3 -","- C16 H12 O2 S3 -","- C128 H96 O16 S24 -","8","2","","Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi","Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.","Chemical communications (Cambridge, England)","2017","53","24","3426","3429","10.1039/c7cc00784a","","","0.71075","MoKα","","","0.0811","","","","0.2058","","","","","","0.981","","","","has coordinates","194935","2020-10-21","18:00:00",""
"7119786","15.534","0.005","9.382","0.003","3.6126","0.0012","90","","90","","90","","526.5","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","9H-purine","Purine","","- C5 H4 N4 -","- C5 H4 N4 -","- C20 H16 N16 -","4","1","","Ruggiero, Michael T.; Zeitler, J. Axel; Erba, Alessandro","Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine.","Chemical communications (Cambridge, England)","2017","53","26","3781","3784","10.1039/c7cc00509a","","","0.71073","MoKα","","0.0595","0.0406","","","0.081","0.0871","","","","","","1.037","","","","has coordinates","194969","2020-10-21","18:00:00",""
"7119792","11.401","0.002","22.024","0.005","11.813","0.003","90","","90","","90","","2966.2","1.1","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H32 Cl3 F3 O12 S -","- C20 H32 Cl3 F3 O12 S -","- C80 H128 Cl12 F12 O48 S4 -","4","1","","Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.","Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.","Chemical communications (Cambridge, England)","2017","53","28","3971","","10.1039/c7cc01219e","","","0.71073","MoKα","","0.1575","0.0773","","","0.1873","0.2287","","","","","","1.021","","","","has coordinates","194926","2020-10-21","18:00:00",""
"7119797","15.1567","0.0002","8.3418","0.0001","8.6166","0.0001","90","","90","","90","","1089.43","0.02","130","0.1","130","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6-dimethoxy-N-methylbenzothioamide","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.0658","0.0659","","","","","","1.07","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119804","8.6016","0.0006","27.4748","0.0015","6.1928","0.0003","90","","90","","90","","1463.53","0.15","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H12 F3 N3 O -","- C17 H12 F3 N3 O -","- C68 H48 F12 N12 O4 -","4","1","","Ren, Anni; Lu, Ping; Wang, Yanguang","Convenient preparation of 4-diazoisochroman-3-imines and 3-subsituted 3,5-dihydroisochromeno[3,4-d][1,2,3]triazoles.","Chemical communications (Cambridge, England)","2017","53","26","3769","3772","10.1039/c7cc00603a","","","0.71073","MoKα","","0.0366","0.0331","","","0.0787","0.0812","","","","","","1.036","","","","has coordinates","194953","2020-10-21","18:00:00",""
"7119871","20.731","0.001","10.6782","0.0005","14.3738","0.0007","90","","90","","90","","3181.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H50 B18 Mg O6 -","- C14 H50 B18 Mg O6 -","- C56 H200 B72 Mg4 O24 -","4","1","","McArthur, Scott G.; Jay, Rahul; Geng, Linxiao; Guo, Juchen; Lavallo, Vincent","Below the 12-vertex: 10-vertex carborane anions as non-corrosive, halide free, electrolytes for rechargeable Mg batteries.","Chemical communications (Cambridge, England)","2017","53","32","4453","4456","10.1039/c7cc01570d","","","0.71073","MoKα","","0.0425","0.0353","","","0.0811","0.0852","","","","","","1.02","","","","has coordinates","196269","2020-10-21","18:00:00",""
"7120009","19.3683","0.0002","14.8549","0.0002","20.2018","0.0003","90","","90","","90","","5812.34","0.13","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","HAs{C[N(2,6-CHPh2,4-Me-C6H2)CH]2}*tol","","- C76 H65 As N2 -","- C76 H65 As N2 -","- C304 H260 As4 N8 -","4","1","","Doddi, Adinarayana; Weinhart, Michael; Hinz, Alexander; Bockfeld, Dirk; Goicoechea, Jose M.; Scheer, Manfred; Tamm, Matthias","N-Heterocyclic Carbene-Stabilised Arsinidene (AsH)","Chem. Commun.","2017","","","","","10.1039/C7CC02628E","","","1.54178","CuKα","","0.0527","0.0453","","","0.1267","0.153","","","","","","1.065","","","","has coordinates","195765","2020-10-21","18:00:00",""
"7120106","18.4434","0.0002","17.7597","0.0002","17.6898","0.0002","90","","90","","90","","5794.28","0.11","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H55 B2 F15 N2 O -","- C57 H55 B2 F15 N2 O -","- C228 H220 B8 F60 N8 O4 -","4","1","","Abdalla, Joseph A. B.; Tirfoin, Rémi C.; Niu, Haoyu; Aldridge, Simon","A zwitterionic hydrocarbon-soluble borenium ion based on a β-diketiminate backbone","Chem. Commun.","2017","","","","","10.1039/C7CC03121A","","","1.5418","CuKα","","0.0314","0.0298","","0.0807","0.0784","0.0807","","","","","","0.9867","","","","has coordinates","196700","2020-10-21","18:00:00",""
"7120121","17.0029","0.0015","13.0353","0.0013","10.6338","0.0008","90","","90","","90","","2356.9","0.4","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Ethanebis(diphenylphosphoranylidene)ammonium-tetrafluoroborate","","- C26 H24 B F4 N P2 -","- C26 H24 B F4 N P2 -","- C104 H96 B4 F16 N4 P8 -","4","1","","Helmdach, Kai; Ludwig, Stephan; Villinger, Alexander; Hollmann, Dirk; Kösters, Jutta; Seidel, Wolfram W.","Synthesis and activation potential of an open shell diphosphine.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02114c","","","0.71073","MoKα","","0.0922","0.0513","","","0.1113","0.1377","","","","","","0.814","","","","has coordinates,has disorder","196707","2020-10-21","18:00:00",""
"7120154","20.9626","0.0003","6.3868","0.0001","14.7302","0.0002","90","","90","","90","","1972.14","0.05","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C32 H144 N16 O40 S8 -","8","2","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0303","0.0292","","","0.0856","0.0869","","","","","","1.038","","","","has coordinates","196802","2020-10-21","18:00:00",""
"7120205","12.5888","0.0015","19.163","0.003","6.1053","0.0007","90","","90","","90","","1472.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Kontham, Ravindar; Kambale, Digambar Abasaheb; Thorat, Sagar Sudam; Pratapure, Madhukar Shivaji; Gonnade, Rajesh G.","Lewis acid catalyzed cascade annulation of alkynols with α-ketoesters: A facile access to γ-spiroketal-γ-lactones","Chem. Commun.","2017","","","","","10.1039/C7CC03668J","","","0.71073","MoKα","","0.1019","0.0858","","","0.1674","0.1744","","","","","","1.156","","","","has coordinates","197053","2020-10-21","18:00:00",""
"7120461","13.9067","0.0015","18.439","0.002","8.897","0.001","90","","90","","90","","2281.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H23 N5 O2 S -","- C25 H23 N5 O2 S -","- C100 H92 N20 O8 S4 -","4","1","","Shi, Min; Wei, Yin; Yu, Liu-Zhu","Copper-catalyzed trifluoromethylazidation and rearrangement of aniline-linked 1,7-enynes: access to CF3-substituted azaspirocyclic dihydroquinolin-2-ones and furoindolines","Chem. Commun.","2017","","","","","10.1039/C7CC04748G","","","0.71073","MoKα","","0.0539","0.0445","","","0.0981","0.1031","","","","","","1.022","","","","has coordinates","198768","2020-10-21","18:00:00",""
"7120502","17.7028","0.0006","9.2443","0.0003","16.1623","0.0006","90","","90","","90","","2644.96","0.16","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","Cu(CHDAP)(NO3)2","","","- C26 H36 Cu N6 O6 -","- C26 H36 Cu N6 O6 -","- C104 H144 Cu4 N24 O24 -","4","1","","Kim, Bohee; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic Reactivity of Copper(II)-Alkylperoxo Complexes","Chem. Commun.","2017","","","","","10.1039/C7CC03965D","","","0.71073","MoKa","","0.0524","0.0404","","","0.1239","0.1411","","","","","","1.163","","","","has coordinates","199375","2020-10-21","18:00:00",""
"7120504","18.886","0.004","11.516","0.002","18.802","0.004","90","","90","","90","","4089.3","1.4","103","","103","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H67 Li N2 O3 Si -","- C42 H67 Li N2 O3 Si -","- C168 H268 Li4 N8 O12 Si4 -","4","1","","Feuerstein, Thomas J.; Poß, Marieke; Seifert, Tim P.; Bestgen, Sebastian; Feldmann, Claus; Roesky, Peter W.","A highly luminescent octanuclear gold(i) carbide cluster","Chem. Commun.","2017","","","","","10.1039/C7CC04171C","","","0.71073","MoKα","","0.0779","0.0481","","","0.0845","0.0936","","","","","","0.982","","","","has coordinates","199376","2020-10-21","18:00:00",""
"7120644","24.8293","0.0003","19.8167","0.0002","27.5843","0.0004","90","","90","","90","","13572.4","0.3","173","0.14","173","0.14","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C102 H78 Au9 B3 F12 N6 P6 -","- C102 H78 Au9 B3 F12 N6 P6 -","- C408 H312 Au36 B12 F48 N24 P24 -","4","1","","Lei, Zhen; Zhang, Jin-Yuan; Guan, Zong-Jie; Wang, Quan-Ming","Intensely luminescent gold(I) phosphinopyridyl clusters: visualization of unsupported aurophilic interactions in solution","Chem. Commun.","2017","","","","","10.1039/C7CC06944H","","","1.54184","CuKα","","0.0708","0.0688","","","0.1826","0.1854","","","","","","1.064","","","","has coordinates","200807","2020-10-21","18:00:00",""
"7120646","7.7087","0.0017","26.381","0.006","7.3447","0.0016","90","","90","","90","","1493.6","0.6","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 F9 O3 -","- C13 H11 F9 O3 -","- C52 H44 F36 O12 -","4","1","","Hossain, Md. Jakir; Ono, Toshikazu; Wakiya, Kosuke; Hisaeda, Yoshio","A Vitamin B12 Derivative Catalyzed Electrochemical Trifluoromethylation and Perfluoroalkylation of Arenes and Heteroarenes in Organic Media","Chem. Commun.","2017","","","","","10.1039/C7CC06221D","","","0.71073","MoKα","","0.0556","0.0389","","","0.0876","0.109","","","","","","1.101","","","","has coordinates","200863","2020-10-21","18:00:00",""
"7120729","11.6026","0.0003","16.1479","0.0004","12.6458","0.0003","90","","90","","90","","2369.29","0.1","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3-Acetyl-2-benzyl-4,7-diphenylbicyclo[3.3.1]non-2-en-9-one","","- C30 H28 O2 -","- C30 H28 O2 -","- C120 H112 O8 -","4","1","","Pathipati, Stalin R.; Eriksson, Lars; Selander, Nicklas","Stereoselective synthesis of bicyclo[3.n.1]alkenone frameworks by Lewis acid-catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC06400D","","","0.71073","MoKα","","0.0436","0.0369","","","0.099","0.1044","","","","","","0.949","","","","has coordinates","201568","2020-10-21","18:00:00",""
"7120739","19.384","0.002","10.3921","0.0013","15.1929","0.0019","90","","90","","90","","3060.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H51 B2 N O4 -","- C30 H51 B2 N O4 -","- C120 H204 B8 N4 O16 -","4","1","","Eichhorn, Antonius; Kuehn, Laura; Marder, Todd B.; Radius, Udo","Facile Insertion of a Cyclic Alkyl(Amino) Carbene Carbon into the B-B Bond of Diboron(4) Reagents","Chem. Commun.","2017","","","","","10.1039/C7CC06302D","","","0.71073","MoKα","","0.0377","0.0345","","","0.0877","0.0902","","","","","","1.022","","","","has coordinates","201667","2020-10-21","18:00:00",""
"7120877","19.792","0.005","12.548","0.003","7.5356","0.0016","90","","90","","90","","1871.5","0.8","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H25 N -","- C24 H25 N -","- C96 H100 N4 -","4","1","","LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W.","Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication","Chemical Communications","2017","","","","","10.1039/C7CC08037A","","","0.71073","MoKα","","0.0906","0.0601","","","0.1451","0.1668","","","","","","0.932","","","","has coordinates","203221","2020-10-21","18:00:00",""
"7120881","50.3157","0.0009","13.2707","0.0002","17.5344","0.0002","90","","90","","90","","11708.1","0.3","173","1","173","1","","","","","","","","6","P n a 21","P 2c -2n","33","Local reference Estr. 1039, ""Pt4""","compound 1","","- C86 H88 Cl40 N2 O6 Pt4 -","- C86 H84 Cl40 N2 O6 Pt4 -","- C344 H336 Cl160 N8 O24 Pt16 -","4","1","","Ara, I.; García-Monforte, M. A.; González, R.; Falvello, L. R.; Tomás, M.","A route to small clusters: a twisted half-hexagram-shaped M4(OH)4 cluster and its capacity for hosting closed-shell metals","Chemical Communications","2017","","","","","10.1039/C7CC07712B","","x-ray","0.71073","MoKα","","0.0305","0.028","","","0.0556","0.0567","","","","","","1.035","","","","has coordinates","203399","2020-10-21","18:00:00",""
"7120891","15.6436","0.0014","13.5076","0.0012","21.2642","0.0019","90","","90","","90","","4493.3","0.7","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H78 In Li O6 Si2 -","- C36 H78 In Li O6 Si2 -","- C144 H312 In4 Li4 O24 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Anionic Indabenzene: Synthesis and Characterization","Chemical Communications","2017","","","","","10.1039/C7CC08397A","","","0.71075","MoKα","","0.0445","0.036","","","0.0778","0.0816","","","","","","1.046","","","","has coordinates","203469","2020-10-21","18:00:00",""
"7120938","16.3031","0.0007","6.109","0.0003","26.0729","0.0016","90","","90","","90","","2596.7","0.2","173","0.1","173","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","2","","Liu, Lin; Cheng, Hai-Long; Ma, Wen-Qiang; Hou, Si-Hua; Tu, Yong-Qiang; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua","Improved synthesis of 8-oxabicyclo[3.2.1]octanes via tandem C-H oxidation/oxa-[3,3] Cope rearrangement/aldol cyclization.","Chemical communications (Cambridge, England)","2018","54","2","196","199","10.1039/c7cc08511g","","","0.71073","MoKα","","0.0911","0.0745","","","0.181","0.2019","","","","","","1.072","","","","has coordinates","228242","2020-10-21","18:00:00",""
"7120990","10.467","0.002","6.9909","0.0013","23.485","0.005","90","","90","","90","","1718.5","0.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Kumari, Pratibha; Verma, Sanjay K.; Mobin, Shaikh M.","Water soluble two-photon fluorescent organic probes for long-term imaging of lysosomes in live cells and tumor spheroids.","Chemical communications (Cambridge, England)","2018","54","5","539","542","10.1039/c7cc07812a","","","0.71073","MoKα","","0.1912","0.155","","","0.3837","0.413","","","","","","1.336","","","","has coordinates","228146","2020-10-21","18:00:00",""
"7121073","17.6472","0.0009","22.0745","0.0011","10.8828","0.0006","90","","90","","90","","4239.4","0.4","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C52 H58 N2 -","- C52 H58 N2 -","- C208 H232 N8 -","4","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.71073","MoKα","","0.0783","0.0503","","","0.1086","0.1234","","","","","","1.044","","","","has coordinates","228399","2020-10-21","18:00:00",""
"7121236","14.1238","0.0003","8.54517","0.00018","15.8226","0.0003","90","","90","","90","","1909.63","0.07","110","1","110","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H18 F2 N2 -","- C24 H18 F2 N2 -","- C96 H72 F8 N8 -","4","1","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","1.54184","CuKα","","0.1151","0.0928","","","0.2666","0.317","","","","","","1.226","","","","has coordinates","228448","2020-10-21","18:00:00",""
"7121245","12.866","0.0003","13.4392","0.0004","11.7656","0.0004","90","","90","","90","","2034.38","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 Cl4 N O2 -","- C21 H19 Cl4 N O2 -","- C84 H76 Cl16 N4 O8 -","4","1","","Shen, Yi; Wu, Xin-Xing; Chen, Si; Xia, Yu; Liang, Yong-Min","Synthesis of polyfluoroarene-substituted benzofuran derivatives via cooperative Pd/Cu catalysis.","Chemical communications (Cambridge, England)","2018","54","18","2256","2259","10.1039/c8cc00489g","","","0.71073","MoKα","","0.0438","0.0343","","","0.071","0.0782","","","","","","1.025","","","","has coordinates","228443","2020-10-21","18:00:00",""
"7121370","24.3568","0.0006","9.8974","0.0002","28.2283","0.0006","90","","90","","90","","6805","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H112 N8 O2 P4 S4 -","- C64 H112 N8 O2 P4 S4 -","- C256 H448 N32 O8 P16 S16 -","4","1","","Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe","Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.","Chemical communications (Cambridge, England)","2018","54","50","6800","6803","10.1039/c8cc01043a","","","0.71073","MoKα","","0.0673","0.0547","","","0.1248","0.1317","","","","","","1.081","","","","has coordinates,has disorder","228314","2020-10-21","18:00:00",""
"7121473","21.6241","0.0008","4.7229","0.0003","27.9845","0.0009","90","","90","","90","","2858","0.2","93","2","93","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C34 H48 N2 -","- C34 H48 N2 -","- C136 H192 N8 -","4","1","","Nakazato, Takumi; Kamatsuka, Takuto; Inoue, Junichi; Sakurai, Tsuneaki; Seki, Shu; Shinokubo, Hiroshi; Miyake, Yoshihiro","The reductive aromatization of naphthalene diimide: a versatile platform for 2,7-diazapyrenes.","Chemical communications (Cambridge, England)","2018","54","41","5177","5180","10.1039/c8cc01937a","","","0.71073","MoKα","","0.0798","0.0675","","","0.1748","0.1878","","","","","","1.053","","","","has coordinates","228076","2020-10-21","18:00:00",""
"7121486","18.4667","0.0005","8.4993","0.0002","12.0129","0.0004","90","","90","","90","","1885.47","0.09","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 Br N4 O4 -","- C19 H17 Br N4 O4 -","- C76 H68 Br4 N16 O16 -","4","1","","Zhao, Hua; Shao, Xiaoru; Wang, Taimin; Zhai, Shengxian; Qiu, Shuxian; Tao, Cheng; Wang, Huifei; Zhai, Hongbin","A 2-(1-methylhydrazinyl)pyridine-directed C-H functionalization/spirocyclization cascade: facile access to spirosuccinimide derivatives.","Chemical communications (Cambridge, England)","2018","54","39","4927","4930","10.1039/c8cc01774c","","x-ray","0.71073","MoKα","","0.0587","0.0494","","","0.1076","0.1156","","","","","","1.036","","","","has coordinates","228172","2020-10-21","18:00:00",""
"7121515","9.3962","0.0003","10.839","0.0003","33.4374","0.0009","90","","90","","90","","3405.45","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 F2 N O4 -","- C17 H21 F2 N O4 -","- C136 H168 F16 N8 O32 -","8","2","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Kuprov, Ilya; Martins, Jose C.; Sinnaeve, Davy; Linclau, Bruno","Minimising conformational bias in fluoroprolines through vicinal difluorination.","Chemical communications (Cambridge, England)","2018","54","40","5118","5121","10.1039/c8cc01493k","","x-ray","0.71073","MoKα","K-L~3~","0.0913","0.0703","","","0.1129","0.1201","","","","","","1.139","","","","has coordinates","228359","2020-10-21","18:00:00",""
"7121523","12.1379","0.0009","7.1688","0.0005","16.6494","0.001","90","","90","","90","","1448.73","0.17","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Saito, Yuki; Higuchi, Masayuki; Yoshioka, Shota; Senboku, Hisanori; Inokuma, Yasuhide","Bioinspired synthesis of pentalene-based chromophores from an oligoketone chain.","Chemical communications (Cambridge, England)","2018","54","50","6788","6791","10.1039/c8cc02379d","","x-ray","0.71075","MoKα","","0.0399","0.0335","","","0.0756","0.0776","","","","","","1.035","","","","has coordinates","228301","2020-10-21","18:00:00",""
"7121695","12.195","0.004","12.807","0.005","30.751","0.009","90","","90","","90","","4803","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H20 B2 N2 S2 -","- C28 H20 B2 N2 S2 -","- C224 H160 B16 N16 S16 -","8","2","","Zhang, Jinyun; Liu, Fude; Sun, Zhe; Li, Chenglong; Zhang, Qian; Zhang, Chen; Liu, Zhiqiang; Liu, Xuguang","Synthesis, characterization and properties of aryl-fused bis-BN dihydropyrenes.","Chemical communications (Cambridge, England)","2018","54","59","8178","8181","10.1039/c8cc01748d","","","0.71073","MoKα","","0.3509","0.1251","","","0.2319","0.3282","","","","","","0.981","","","","has coordinates","228554","2020-10-21","18:00:00",""
"7121787","7.859","0.005","6.118","0.004","24.872","0.017","90","","90","","90","","1195.9","1.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H8 Br2 O2 -","- C13 H8 Br2 O2 -","- C52 H32 Br8 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic.","Chemical communications (Cambridge, England)","2018","54","49","6348","6351","10.1039/c8cc02662a","","","0.71073","MoKα","","0.0799","0.0756","","","0.1834","0.1966","","","","","","1.096","","","","has coordinates","228499","2020-10-21","18:00:00",""
"7121852","18.308","0.0005","19.0516","0.0006","6.2276","0.00018","90","","90","","90","","2172.17","0.11","292.6","0.5","292.6","0.5","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H28 O -","- C28 H28 O -","- C112 H112 O4 -","4","1","","Xu, Ming-Hui; Dai, Kun-Long; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","A catalytic allylic cation-induced intermolecular allylation-semipinacol rearrangement.","Chemical communications (Cambridge, England)","2018","54","55","7685","7688","10.1039/c8cc04285c","","","1.54184","CuKα","","0.0347","0.0314","","","0.0792","0.0817","","","","","","1.076","","","","has coordinates","228062","2020-10-21","18:00:00",""
"7121887","14.314","0.002","18.26","0.003","6.4262","0.001","90","","90","","90","","1679.6","0.4","100","2","99.96","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H13 Br3 Cl3 N3 O2 -","- C8 H13 Br3 Cl3 N3 O2 -","- C32 H52 Br12 Cl12 N12 O8 -","4","1","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","1.54178","CuKα","","0.0306","0.0304","","","0.0767","0.0768","","","","","","1.108","","","","has coordinates","228115","2020-10-21","18:00:00",""
"7121911","17.365","0.004","12.283","0.003","5.6968","0.0011","90","","90","","90","","1215.1","0.5","200","","200","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Leconte, Nicolas; du Moulinet d'Hardemare, Amaury; Philouze, Christian; Thomas, Fabrice","A highly active diradical cobalt(iii) catalyst for the cycloisomerization of alkynoic acids.","Chemical communications (Cambridge, England)","2018","54","59","8241","8244","10.1039/c8cc04459g","","x-ray","0.71073","MoKα","","0.0579","0.0441","","","0.1018","0.1141","","","","","","1.053","","","","has coordinates","228550","2020-10-21","18:00:00",""
"7121997","27.733","","4.024","","13.705","","90","","90","","90","","1529.44","","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H15 Cl2 N O3 -","- C16 H15 Cl2 N O3 -","- C64 H60 Cl8 N4 O12 -","4","1","","Mishra, Manish Kumar; Kadambi, Sourabh B.; Ramamurty, Upadrasta; Ghosh, Soumyajit","Elastic flexibility tuning via interaction factor modulation in molecular crystals.","Chemical communications (Cambridge, England)","2018","54","65","9047","9050","10.1039/c8cc04132f","","","0.71073","MoKα","","0.0488","0.0422","","","0.1087","0.1378","","","","","","1.161","","","","has coordinates","228534","2020-10-21","18:00:00",""
"7122008","21.093","0.004","22.769","0.005","10.847","0.002","90","","90","","90","","5209.5","1.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","(Pr4N)[Cd((iBu)2dtc)3].(CH3)CO","tetrapropyammonium cadmium tris(diisobutyldithiocarbonate)","","- C42 H88 Cd N4 O S6 -","- C42 H88 Cd N4 O S6 -","- C168 H352 Cd4 N16 O4 S24 -","4","1","","Macreadie, Lauren K.; Forsyth, Craig M.; Turner, David R.; Chesman, Anthony S. R.","Cadmium tris(dithiocarbamate) ionic liquids as single source, solvent-free cadmium sulfide precursors.","Chemical communications (Cambridge, England)","2018","54","64","8925","8928","10.1039/c8cc03737j","","","0.71073","Synchrotron","","0.0385","0.0368","","","0.0938","0.0957","","","","","","1.122","","","","has coordinates,has disorder","228228","2020-10-21","18:00:00",""
"7122073","16.827","0.0012","14.9556","0.001","8.5588","0.0006","90","","90","","90","","2153.9","0.3","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H24 Cl2 N O2 Ta -","- C23 H24 Cl2 N O2 Ta -","- C92 H96 Cl8 N4 O8 Ta4 -","4","1","","Štarha, Pavel; Trávníček, Zdeněk; Dvořák, Zdeněk","A cytotoxic tantalum(v) half-sandwich complex: a new challenge for metal-based anticancer agents.","Chemical communications (Cambridge, England)","2018","54","68","9533","9536","10.1039/c8cc05223a","","","0.71073","MoKα","","0.0611","0.0475","","","0.1055","0.1103","","","","","","1.015","","","","has coordinates","228508","2020-10-21","18:00:00",""
"7122080","21.9939","0.0008","11.0133","0.0004","12.8402","0.0004","90","","90","","90","","3110.22","0.19","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H39 Cl2 Mo N6 O2 -","- C31 H39 Cl2 Mo N6 O2 -","- C124 H156 Cl8 Mo4 N24 O8 -","4","1","","Manakin, Yu V.; Mironov, V. S.; Bazhenova, T. A.; Lyssenko, K. A.; Gilmutdinov, I. F.; Bikbaev, K. Sh; Masitov, A. A.; Yagubskii, E. B.","(Et<sub>4</sub>N)[Mo<sup>III</sup>(DAPBH)Cl<sub>2</sub>], the first pentagonal-bipyramidal Mo(iii) complex with a N<sub>3</sub>O<sub>2</sub>-type Schiff-base ligand: manifestation of unquenched orbital momentum and Ising-type magnetic anisotropy.","Chemical communications (Cambridge, England)","2018","54","72","10084","10087","10.1039/c8cc06038j","","","0.71073","MoKα","","0.0448","0.0327","","","0.0636","0.0679","","","","","","1.021","","","","has coordinates","228410","2020-10-21","18:00:00",""
"7122090","23.29","0.003","12.0766","0.0017","5.2849","0.0007","90","","90","","90","","1486.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H15 F3 O3 S Se -","- C13 H15 F3 O3 S Se -","- C52 H60 F12 O12 S4 Se4 -","4","1","","Ghiazza, Clément; Khrouz, Lhoussain; Monnereau, Cyrille; Billard, Thierry; Tlili, Anis","Visible-light promoted fluoroalkylselenolation: toward the reactivity of unsaturated compounds.","Chemical communications (Cambridge, England)","2018","54","71","9909","9912","10.1039/c8cc05256e","","x-ray","0.71073","MoKα","","0.0738","0.0598","","0.136","0.1211","0.136","","","","","","0.9689","","","","has coordinates","228276","2020-10-21","18:00:00",""
"7122202","21.7707","0.0014","8.2148","0.0005","14.0657","0.0009","90","","90","","90","","2515.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H43 N3 Ni P2 -","- C22 H43 N3 Ni P2 -","- C88 H172 N12 Ni4 P8 -","4","1","","Li, Huaifeng; Gonçalves, Théo P; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei","Diverse catalytic reactivity of a dearomatized PN<sup>3</sup>P*-nickel hydride pincer complex towards CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2018","54","81","11395","11398","10.1039/c8cc05948a","","","1.54178","CuKα","","0.043","0.0403","","","0.0962","0.1106","","","","","","1.007","","","","has coordinates","228109","2020-10-21","18:00:00",""
"7122261","15.9327","0.0002","17.7483","0.0003","6.06371","0.00011","90","","90","","90","","1714.69","0.05","150","0.1","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H19 P -","- C22 H19 P -","- C88 H76 P4 -","4","1","","Coles, N. T.; Mahon, M. F.; Webster, R. L.","1,1-Diphosphines and divinylphosphines via base catalyzed hydrophosphination.","Chemical communications (Cambridge, England)","2018","54","74","10443","10446","10.1039/c8cc05890c","","x-ray","0.71073","MoKα","","0.0393","0.0338","","","0.0767","0.0795","","","","","","1.033","","","","has coordinates","228200","2020-10-21","18:00:00",""
"7122304","14.8353","0.0004","9.9906","0.0003","15.3663","0.0004","90","","90","","90","","2277.49","0.11","110","","110","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H23 Ce F3 N O4 S -","- C22 H23 Ce F3 N O4 S -","- C88 H92 Ce4 F12 N4 O16 S4 -","4","1","","Burns, Corey P.; Yang, Xin; Sung, Siyoung; Wofford, Joshua D.; Bhuvanesh, Nattamai S.; Hall, Michael B.; Nippe, Michael","Towards understanding of lanthanide-transition metal bonding: investigations of the first Ce-Fe bonded complex.","Chemical communications (Cambridge, England)","2018","54","77","10893","10896","10.1039/c8cc05243c","","","0.71073","MoKα","","0.0425","0.0242","","","0.0453","0.052","","","","","","1.014","","","","has coordinates,has disorder","228065","2020-10-21","18:00:00",""
"7122403","15.4381","0.0002","15.9969","0.0002","18.31405","0.00018","90","","90","","90","","4522.87","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C51 H73 N O4 -","- C51 H73 N O4 -","- C204 H292 N4 O16 -","4","1","","Whiteside, R. E.; Gunaratne, H. Q. Nimal; Muzio, A. F. V.; Nockemann, P.","Selective monoalkylation of p-tert-butylcalix-[4]-arene in a methyl carbonate ionic liquid.","Chemical communications (Cambridge, England)","2018","54","85","12037","12040","10.1039/c8cc05566a","","x-ray","1.54184","CuKα","","0.0651","0.0636","","","0.1757","0.178","","","","","","1.092","","","","has coordinates","228378","2020-10-21","18:00:00",""
"7122433","17.0572","0.0004","10.5503","0.0002","17.9411","0.0004","90","","90","","90","","3228.65","0.12","150.01","0.01","150.01","0.01","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H36 B Mo N6 O2 P Si -","- C29 H36 B Mo N6 O2 P Si -","- C116 H144 B4 Mo4 N24 O8 P4 Si4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.0372","0.0305","","","0.0657","0.0696","","","","","","1.056","","","","has coordinates","228611","2020-10-21","18:00:00",""
"7122435","17.5232","0.0003","10.5308","0.0002","18.0406","0.0003","90","","90","","90","","3329.09","0.1","150","0.1","150","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H42 B Mo N6 O2 P Si -","- C29 H42 B Mo N6 O2 P Si -","- C116 H168 B4 Mo4 N24 O8 P4 Si4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.0384","0.0318","","","0.0692","0.072","","","","","","1.07","","","","has coordinates,has disorder","228611","2020-10-21","18:00:00",""
"7122440","17.0998","0.0002","10.5256","0.0002","17.8373","0.0003","90","","90","","90","","3210.46","0.09","150","0.1","150","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H36 B N6 O2 P Si W -","- C29 H36 B N6 O2 P Si W -","- C116 H144 B4 N24 O8 P4 Si4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.0326","0.0235","","","0.0425","0.0467","","","","","","1.074","","","","has coordinates","228611","2020-10-21","18:00:00",""
"7122483","52.223","0.002","15.6152","0.0006","7.4921","0.0002","90","","90","","90","","6109.6","0.4","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C300 H276 N12 O48 -","12","3","","Mambrini, Antonin; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Oxidative coupling of enolates using memory of chirality: an original enantioselective synthesis of quaternary α-amino acid derivatives.","Chemical communications (Cambridge, England)","2018","54","90","12742","12745","10.1039/c8cc06864j","","x-ray","1.54178","CuKα","","0.1634","0.0788","","","0.1485","0.1855","","","","","","0.981","","","","has coordinates","228322","2020-10-21","18:00:00",""
"7122488","21.431","0.0013","8.483","0.0018","7.516","0.003","90","","90","","90","","1366.4","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","R,S-2-(2,6-dimethylphenoxy)-N-(2-hydroxybutyl)acetamide","","- C14 H20 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna","Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.","MedChemComm","2018","9","11","1933","1948","10.1039/c8md00430g","","","0.71073","MoKα","","0.1133","0.0851","","","0.1979","0.215","","","","3.032","3.032","1.092","","","","has coordinates,has disorder","230139","2020-10-21","18:00:00",""
"7122544","20.0625","0.0003","16.1756","0.0003","13.5227","0.0002","90","","90","","90","","4388.43","0.12","180","0.1","180","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H34 Cr F18 N10 P3 -","- C36 H34 Cr F18 N10 P3 -","- C144 H136 Cr4 F72 N40 P12 -","4","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Versatile heteroleptic bis-terdentate Cr(iii) chromophores displaying room temperature millisecond excited state lifetimes.","Chemical communications (Cambridge, England)","2018","54","94","13228","13231","10.1039/c8cc07671e","","x-ray","1.54184","CuKα","","0.0499","0.0484","","","0.1191","0.1204","","","","","","1.018","","","","has coordinates","228371","2020-10-21","18:00:00",""
"7122686","14.99","0.006","24.357","0.009","5.395","0.002","90","","90","","90","","1969.8","1.3","93","2","93","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","1.54187","CuKα","","0.0339","0.0333","","","0.0833","0.0843","","","","","","1.039","","","","has coordinates","212357","2020-10-21","18:00:00",""
"7122700","16.2901","0.0009","15.1083","0.0008","21.8016","0.0012","90","","90","","90","","5365.7","0.5","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C62 H78 Sn -","- C62 H78 Sn -","- C248 H312 Sn4 -","4","1","","Lai, Ting Yi; Guo, Jing Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Facile Insertion of Ethylene into a Group 14 Element-Carbon Bond: Effects of the HOMO-LUMO Energy Gap on Reactivity","Chemical Communications","2018","","","","","10.1039/C8CC08488B","","","0.71073","MoKα","","0.0458","0.0419","","","0.0928","0.0942","","","","","","1.122","","","","has coordinates,has disorder","212386","2020-10-21","18:00:00",""
"7122787","24.211","0.003","11.331","0.0017","10.5117","0.0011","90","","90","","90","","2883.7","0.6","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C41 H26 N2 -","- C41 H26 N2 -","- C164 H104 N8 -","4","1","","Bhattacharjee, Indranil; Acharya, Nirmalya; ray, debdas","Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Naphthyl Appended Carbazole-Quinoline Conjugate, and their Mechanical Regulation","Chemical Communications","2019","","","","","10.1039/C8CC09220F","","","0.71073","MoKα","","0.1512","0.0498","","","0.109","0.1556","","","","","","1.024","","","","has coordinates","212904","2020-10-21","18:00:00",""
"7122873","8.9436","0.0002","19.1201","0.0005","10.6304","0.0002","90","","90","","90","","1817.83","0.07","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","FLG-Thia","","- C22 H21 P S -","- C22 H21 P S -","- C88 H84 P4 S4 -","4","1","","Kyri, Andreas Wolfgang; Gleim, Florian; Becker, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Synthesis of free and ligated 1,2-thiaphosphetanes ‒ expanding the pool of strained P-ligands","Chemical Communications","2019","","","","","10.1039/C8CC09892A","","x-ray","1.54178","CuKα","","0.0663","0.0656","","","0.166","0.167","","","","","","1.144","","","","has coordinates,has disorder","213211","2020-10-21","18:00:00",""
"7122969","19.767","0.013","24.55","0.016","9.996","0.006","90","","90","","90","","4851","5","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C58 H58 B N O3 -","- C58 H58 B N O3 -","- C232 H232 B4 N4 O12 -","4","1","","Matsuo, Kyohei; Yasuda, Takuma","Boronate- and borinate-based π-systems for blue thermally activated delayed fluorescence materials","Chemical Communications","2019","","","","","10.1039/C8CC10282A","","","0.71075","MoKα","","0.1017","0.0732","","","0.193","0.2221","","","","","","1.06","","","","has coordinates,has disorder","213598","2020-10-21","18:00:00",""
"7122986","36.3501","0.0005","12.34279","0.00012","20.1258","0.0002","90","","90","","90","","9029.67","0.18","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C96 H146 B2 Mg2 N8 O2 -","- C96 H146 B2 Mg2 N8 O2 -","- C384 H584 B8 Mg8 N32 O8 -","4","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","1.54178","CuKα","","0.0701","0.0597","","","0.1572","0.1621","","","","","","1.025","","","","has coordinates,has disorder","213644","2020-10-21","18:00:00",""
"7122989","19.1374","0.0013","11.8659","0.0008","21.682","0.0015","90","","90","","90","","4923.6","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H76 B Mg N5 -","- C55 H76 B Mg N5 -","- C220 H304 B4 Mg4 N20 -","4","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","0.71073","MoKα","","0.0674","0.0488","","","0.1086","0.1184","","","","","","1.032","","","","has coordinates","213644","2020-10-21","18:00:00",""
"7123093","18.7054","0.0012","9.3849","0.0006","19.0118","0.001","90","","90","","90","","3337.5","0.3","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H13 Au Br3 N O -","- C15 H13 Au Br3 N O -","- C120 H104 Au8 Br24 N8 O8 -","8","2","","Yang, Jie; Zhu, Yifan; Tse, Anfernee Kai-Wing; Zhou, Xinghua; Chen, Yang; Tse, Yu Chung; Wong, Keith Man-Chung; Ho, Chun-Yu","Synthesis and study of Au(iii)‒indolizine derivatives: turn-on luminescence by photo-induced controlled release","Chemical Communications","2019","","","","","10.1039/C8CC10177A","","x-ray","0.71073","MoKα","","0.1068","0.0846","","","0.2069","0.2389","","","","","","1.06","","","","has coordinates","214025","2020-10-21","18:00:00",""
"7123094","18.2944","0.0017","9.2278","0.0009","18.7981","0.0017","90","","90","","90","","3173.4","0.5","170","","170","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H13 Au Cl3 N O -","- C15 H13 Au Cl3 N O -","- C120 H104 Au8 Cl24 N8 O8 -","8","2","","Yang, Jie; Zhu, Yifan; Tse, Anfernee Kai-Wing; Zhou, Xinghua; Chen, Yang; Tse, Yu Chung; Wong, Keith Man-Chung; Ho, Chun-Yu","Synthesis and study of Au(iii)‒indolizine derivatives: turn-on luminescence by photo-induced controlled release","Chemical Communications","2019","","","","","10.1039/C8CC10177A","","x-ray","1.54178","CuKα","","0.0408","0.0405","","","0.1107","0.1111","","","","","","1.105","","","","has coordinates","214025","2020-10-21","18:00:00",""
"7123224","13.4178","0.0008","20.5314","0.0011","17.4463","0.0012","90","","90","","90","","4806.2","0.5","173","2","173.01","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C180 H312 N12 P12 -","- C180 H312 N12 P12 -","- C180 H312 N12 P12 -","1","0.25","","Aldrich, Kelly E.; Odom, Aaron L.","A photochemical route to a square planar, ruthenium(iv)-bis(imide)","Chemical Communications","2019","","","","","10.1039/C9CC01019J","","","1.54178","CuKα","","0.2024","0.0951","","","0.2092","0.2672","","","","","","1.032","","","","has coordinates,has disorder","214382","2020-10-21","18:00:00",""
"7123308","14.2939","0.0014","12.2676","0.0012","5.9589","0.0006","90","","90","","90","","1044.9","0.18","88","2","88","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Toda, Yasunori; Tanaka, Shoya; Gomyou, Shuto; Kikuchi, Ayaka; Suga, Hiroyuki","4-Hydroxymethyl-Substituted Oxazolidinone Synthesis by Tetraarylphosphonium Salt-Catalyzed Reactions of Glycidols with Isocyanates","Chemical Communications","2019","","","","","10.1039/C9CC01983A","","","0.71073","MoKα","","0.0421","0.0359","","","0.0954","0.0999","","","","","","1.298","","","","has coordinates","214669","2020-10-21","18:00:00",""
"7123348","23.73549","0.00011","16.75238","0.00008","4.78477","0.00002","90","","90","","90","","1902.55","0.015","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","CapNFF","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Hamley, Ian; Chippindale, ann M; Castelletto, Valeria; Barnett, Sarah; Hasan, Abshar; Lau, Aaron","Crystallization and Lamellar Nanosheet Formation of an Aromatic Dipeptoid","Chemical Communications","2019","","","","","10.1039/C9CC02335F","","","0.6889","Synchrotron","","0.048","0.0384","","","0.0942","0.0978","","","","","","0.988","","","","has coordinates","214832","2020-10-21","18:00:00",""
"7123403","13.5537","0.0006","23.463","0.0009","21.6379","0.001","90","","90","","90","","6881.1","0.5","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C268 H260 Cl4 Mn4 N32 O11 S32 -","- C268 H260 Cl4 Mn4 N32 O11 S32 -","- C268 H260 Cl4 Mn4 N32 O11 S32 -","1","0.25","","McKearney, Declan; Zhou, Wen; Zellman, Carson; Williams, Vance E.; Leznoff, Daniel B.","Facile tuning of strong near-IR absorption wavelengths in manganese(iii) phthalocyanines via axial ligand exchange","Chemical Communications","2019","","","","","10.1039/C9CC02151E","","","1.54178","CuKα","","0.0627","0.053","","","0.1371","0.1464","","","","","","1.098","","","","has coordinates,has disorder","214976","2020-10-21","18:00:00",""
"7123424","35.2041","0.0004","18.5349","0.0002","13.28584","0.00019","90","","90","","90","","8669.07","0.18","174","3","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","2","","- C94 H104 Co2 Mg N6 O4 P6 -","- C94 H104 Co2 Mg N6 O4 P6 -","- C376 H416 Co8 Mg4 N24 O16 P24 -","4","1","","Apps, Samantha; Miller, Philip; Long, Nicholas J.","Cobalt-triphos dinitrogen complexes: activation and silyl-functionalisation of N2","Chemical Communications","2019","","","","","10.1039/C9CC01496A","","x-ray","1.54184","CuKα","","0.0539","0.0455","","","0.1141","0.1235","","","","","","1.026","","","","has coordinates,has disorder","215048","2020-10-21","18:00:00",""
"7123592","28.114","0.005","11.329","0.002","19.332","0.003","90","","90","","90","","6157.3","1.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H57 I12 N6 O6 Sb3 -","- C30 H57 I12 N6 O6 Sb3 -","- C120 H228 I48 N24 O24 Sb12 -","4","1","","Parmar, Swati; Pal, Shiv; Biswas, Abhijit; Gosavi, Suresh W.; Chakraborty, Sudip; Reddy, Mallu Chenna; Ogale, Satishchandra","Designing a new family of oxonium-cation based structurally diverse organic-inorganic hybrid iodoantimonate crystals","Chemical Communications","2019","","","","","10.1039/C9CC03485D","","","0.71073","MoKα","","0.0858","0.0442","","","0.0583","0.0676","","","","","","1.04","","","","has coordinates","215690","2020-10-21","18:00:00",""
"7123690","12.666","0.003","9.559","0.002","11.733","0.002","90","0.03","90","0.03","90","0.03","1420.6","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zhang, Jitan; Wu, Manyi; Fan, Jian; Xu, Qiaoqiao; Xie, Meihua","Selective C-H Acylation of Indoles with α-Oxocarboxylic Acids at the C4-Position by Palladium Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC03893K","","","0.71076","MoKα","","0.0406","0.038","","","0.0985","0.1021","","","","","","1.059","","","","has coordinates","216083","2020-10-21","18:00:00",""
"7123778","10.3652","0.0011","13.2629","0.0014","29.267","0.003","90","","90","","90","","4023.4","0.7","150","","150","","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C17 H24 Cl F Fe I N Si -","- C17 H24 Cl F Fe I N Si -","- C136 H192 Cl8 F8 Fe8 I8 N8 Si8 -","8","2","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0265","0.0241","","","0.0513","0.0523","","","","","","1.049","","","","has coordinates","216755","2020-10-21","18:00:00",""
"7123837","19.4033","0.0007","5.3757","0.0002","15.7108","0.0006","90","","90","","90","","1638.74","0.11","123","2","123","2","","","","","","","","2","P n a 21","P 2c -2n","33","","compound 4","","- C28 H16 -","- C28 H16 -","- C112 H64 -","4","1","","Chaolumen, Chaolumen; Ito, Hideto; Itami, Kenichiro","An Axially Chiral 1,1′-Biazulene and Its π-Extended Derivative: Synthesis, Structures and Properties","Chemical Communications","2019","","","","","10.1039/C9CC03510A","","","0.71073","MoKα","","0.038","0.0318","","","0.072","0.075","","","","","","1.029","","","","has coordinates","216983","2020-10-21","18:00:00",""
"7124034","10.8534","0.0004","13.6583","0.0005","12.5256","0.0004","90","","90","","90","","1856.78","0.11","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","","Saxena, Paridhi; Maida, Neha; Kapur, Manmohan","Dioxazolones as Masked Ester Surrogates in the Pd(II)-Catalyzed Direct C-H Arylation of 6,5-Fused Heterocycles.","Chemical Communications","2019","","","","","10.1039/C9CC05563K","","","0.71073","MoKα","","0.132","0.059","","","0.0986","0.1181","","","","","","1.049","","","","has coordinates","217622","2020-10-21","18:00:00",""
"7124181","13.7625","0.0007","16.9042","0.0008","13.8498","0.0007","90","","90","","90","","3222.1","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H48 B Fe N5 -","- C36 H48 B Fe N5 -","- C144 H192 B4 Fe4 N20 -","4","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","0.71073","MoKα","","0.0372","0.0305","","","0.0766","0.0805","","","","","","1.062","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124210","40.859","0.011","10.95","0.003","12.792","0.003","90","","90","","90","","5723","3","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C55 H72 Cu2 F3 N7 O3 S -","- C55 H72 Cu2 F3 N7 O3 S -","- C220 H288 Cu8 F12 N28 O12 S4 -","4","1","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.1705","0.0921","","","0.2002","0.2357","","","","","","1.04","","","","has coordinates","218557","2020-10-21","18:00:00",""
"7124319","9.1188","0.0003","12.6103","0.0006","6.9022","0.0003","90","","90","","90","","793.69","0.06","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H12 Be N6 -","- C2 H12 Be N6 -","- C8 H48 Be4 N24 -","4","1","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0457","0.0336","","","0.0813","0.0866","","","","","","0.998","","","","has coordinates,has disorder","219370","2020-10-21","18:00:00",""
"7124336","39.4861","0.0015","8.8759","0.0004","9.4907","0.0004","90","","90","","90","","3326.2","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-tetramethyl-tantalum(V)","","- C35 H48 B N4 Ta -","- C35 H48 B N4 Ta -","- C140 H192 B4 N16 Ta4 -","4","1","","Fostvedt, Jade I.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Structural diversity in multinuclear tantalum polyhydrides formed via reductive hydrogenolysis of metal‒carbon bonds","Chemical Communications","2019","","","","","10.1039/C9CC07686G","","","0.7288","synchrotron","","0.0271","0.0243","","","0.0523","0.0533","","","","","","1.044","","","","has coordinates","219403","2020-10-21","18:00:00",""
"7124350","14.7369","0.0006","31.5086","0.0013","5.9773","0.0002","90","","90","","90","","2775.49","0.19","170","2","170","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H26 Ag F6 N6 Sb -","- C26 H26 Ag F6 N6 Sb -","- C104 H104 Ag4 F24 N24 Sb4 -","4","1","","Gao, Xiao-Tong; Xie, Shi-Liang; Zhou, Feng; Wu, Hai-Hong; Zhou, Jian","Multifunctional 1,3-diphenylguanidine for carboxylative cyclization of homopropargyl amines with CO2 under ambient temperature and pressure","Chemical Communications","2019","","","","","10.1039/C9CC07671A","","","1.34139","GaKα","","0.1557","0.0639","","","0.1336","0.1822","","","","","","1.001","","","","has coordinates","219439","2020-10-21","18:00:00",""
"7124472","20.751","0.003","14.369","0.003","5.958","0.002","90","","90","0.003","90","","1776.5","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H34 B2 N4 -","- C14 H34 B2 N4 -","- C56 H136 B8 N16 -","4","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Carbodiimides as catalysts for the reduction of CO<sub>2</sub> with boranes.","Chemical communications (Cambridge, England)","2018","54","37","4700","4703","10.1039/c8cc02139b","","","0.71069","MoKα","","0.0481","0.0396","","","0.0926","0.0973","","","","","","1.055","","","","has coordinates","227738","2020-10-21","18:00:00",""
"7124689","12.7338","0.0004","9.977","0.0003","5.136","0.0002","90","","90","","90","","652.5","0.04","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-dinitro-1H-imidazole-1,5-diamine","","- C3 H4 N6 O4 -","- C3 H4 N6 O4 -","- C12 H16 N24 O16 -","4","1","","He, Chunlin; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic aminated-azole assemblies from intramolecular and intermolecular N-HO and N-HN hydrogen bonds.","Chemical communications (Cambridge, England)","2016","52","52","8123","8126","10.1039/c6cc03833f","","","1.54178","CuKα","","0.0318","0.0318","","","0.0882","0.0882","","","","","","1.066","","","","has coordinates","234129","2020-10-21","18:00:00",""
"7124912","27.289","0.006","12.855","0.003","28.084","0.006","90","","90","","90","","9852","4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55.75 H62 N O2 Si Zn -","- C55.75 H62 N O2 Si Zn -","- C446 H496 N8 O16 Si8 Zn8 -","8","2","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.7109","Synchrotron","","0.0785","0.0543","","","0.125","0.1377","","","","","","1.034","","","","has coordinates,has disorder","234338","2020-10-21","18:00:00",""
"7125035","15.3015","0.0018","12.1976","0.001","9.6252","0.0008","90","","90","","90","","1796.5","0.3","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Liu, Ren-Rong; Xu, Teng-Fei; Wang, Yong-Gang; Xiang, Bin; Gao, Jian-Rong; Jia, Yi-Xia","Palladium-catalyzed dearomative arylalkynylation of indoles.","Chemical communications (Cambridge, England)","2016","52","94","13664","13667","10.1039/c6cc06262h","","","0.71073","MoKα","","0.0568","0.0376","","","0.0747","0.0824","","","","","","1.048","","","","has coordinates","234446","2020-10-21","18:00:00",""
"7125117","14.6347","0.0017","9.785","0.0012","23.547","0.003","90","","90","","90","","3371.9","0.7","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H12 B F21 O S -","- C37 H12 B F21 O S -","- C148 H48 B4 F84 O4 S4 -","4","1","","Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","S(vi) Lewis acids: fluorosulfoxonium cations.","Chemical communications (Cambridge, England)","2016","52","84","12418","12421","10.1039/c6cc06929k","","","0.71073","MoKα","","0.0619","0.0463","","","0.1064","0.1153","","","","","","1.01","","","","has coordinates","234530","2020-10-21","18:00:00",""
"7125124","44.006","0.002","9.8902","0.0006","22.5051","0.0013","90","","90","","90","","9794.9","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H81 B20 N5 O P2 -","- C30 H81 B20 N5 O P2 -","- C240 H648 B160 N40 O8 P16 -","8","2","","Wong, Yuen Onn; Smith, Mark D.; Peryshkov, Dmitry V.","Reversible water activation driven by contraction and expansion of a 12-vertex-closo-12-vertex-nido biscarborane cluster.","Chemical communications (Cambridge, England)","2016","52","86","12710","12713","10.1039/c6cc06955j","","x-ray","0.71073","MoKα","","0.0842","0.0506","","","0.0984","0.1096","","","","","","1.026","","","","has coordinates,has disorder","234535","2020-10-21","18:00:00",""
"7125226","36.4636","0.0015","9.9056","0.0004","9.921","0.0004","90","","90","","90","","3583.4","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H52 B20 Co N2 S4 -","- C16 H52 B20 Co N2 S4 -","- C64 H208 B80 Co4 N8 S16 -","4","1","","Tu, Deshuang; Shao, Dong; Yan, Hong; Lu, Changsheng","A carborane-incorporated mononuclear Co(ii) complex showing zero-field slow magnetic relaxation.","Chemical communications (Cambridge, England)","2016","52","99","14326","14329","10.1039/c6cc07728e","","","0.71073","MoKα","","0.0688","0.0658","","","0.1607","0.1621","","","","","","1.135","","","","has coordinates","234613","2020-10-21","18:00:00",""
"7125438","15.8904","0.0003","9.6054","0.0002","17.1964","0.0003","90","","90","","90","","2624.75","0.09","150","0.1","150","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C23 H26 Au B Cl N7 O2 W -","- C23 H26 Au B Cl N7 O2 W -","- C92 H104 Au4 B4 Cl4 N28 O8 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin","Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes","Chemical Communications","2019","","","","","10.1039/C9CC07760J","","","1.54184","CuKα","","0.0391","0.0383","","","0.0971","0.0984","","","","","","1.085","","","","has coordinates","243756","2020-10-21","18:00:00",""
"7125457","10.0386","0.0007","16.6863","0.0011","10.3764","0.0007","90","","90","","90","","1738.1","0.2","297.15","","297.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","((5-(Methylthio)-2-phenylquinolin-3-yl)(thiophen-2-yl)methanone","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C84 H60 N4 O8 S4 -","4","1","","Trofimov, B. A.; Belyaeva, K. V.; Nikitina, L. P.; Mal'kina, A. G.; Afonin, A. V.; Ushakov, I. A.; Vashchenko, A. V.","Transition metal-free one-pot double C-H functionalization of quinolines with disubstituted electron-deficient acetylenes.","Chemical communications (Cambridge, England)","2018","54","46","5863","5866","10.1039/c8cc03269f","","","0.71073","MoKα","","0.0388","0.0306","","","0.0682","0.0718","","","","","","1.093","","","","has coordinates","243780","2020-10-21","18:00:00",""
"7125503","17.7582","0.0003","27.4561","0.0002","7.1512","0.0001","90","","90","","90","","3486.72","0.08","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H16 P2 Se3 -","- C15 H16 P2 Se3 -","- C120 H128 P16 Se24 -","8","2","","Kilian, P.; Slawin, A. M.; Woollins, J. D.","Novel small organo-P-S/Se heterocycles.","Chemical communications (Cambridge, England)","2001","","21","2288","2289","10.1039/b107214e","","","0.71073","MoKα","","0.052","0.0347","","","0.0592","0.0631","","","","","","0.917","","","","has coordinates","243968","2020-10-21","18:00:00",""
"7125504","22.331","0.001","18.351","0.001","10.9217","0.0007","90","","90","","90","","4475.7","0.4","120","","120","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H51 Cl2 Mn2 N6 O14 -","- C38 H45 Cl2 Ho4 Mn2 N6 O14 -","- C152 H180 Cl8 Ho16 Mn8 N24 O56 -","4","1","","Boisen, A.; Hazell, A.; McKenzie, C. J.","Structural characterisation of the H-bonded [MnII(OH2)2...(OCH3)2MnIII] motif: a model for resting state hydroxylic solvent coordination in M(II)-M(III) enzymes.","Chemical communications (Cambridge, England)","2001","","20","2136","2137","10.1039/b107398m","","","0.71073","MoKα","","","0.043","","","0.048","","","","","1.344","1.344","","","","","has coordinates","243972","2020-10-21","18:00:00",""
"7125520","20.5983","0.0006","15.627","0.0006","20.2307","0.0008","90","","90","","90","","6512.1","0.4","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H64 B4 N24 O Ti2 -","- C60 H64 B4 N24 O Ti2 -","- C240 H256 B16 N96 O4 Ti8 -","4","1","","Kayal, A.; Kuncheria, J.; Lee, S. C.","Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.","Chemical communications (Cambridge, England)","2001","","23","2482","2483","10.1039/b108115b","","","0.71073","MoKα","","0.0901","0.0483","","0.097","0.0843","","","","1.008","1.057","1.057","","","","","has coordinates","243982","2020-10-21","18:00:00",""
"7125532","11.83","0.002","8.6933","0.0017","14.914","0.003","90","","90","","90","","1533.8","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 As Li N2 O2 -","- C28 H40 As2 Li2 N4 O4 -","- C56 H80 As4 Li4 N8 O8 -","2","0.5","","Paver, M. A.; Joy, J. S.; Hursthouse, M. B.","The first example of a diazaarsolyl anion: structure and coordination polymerisation of the aromatic metallacycle benzo[1,3,2]diazaarsolyl lithium.2THF.","Chemical communications (Cambridge, England)","2001","","23","2480","2481","10.1039/b108593j","","","0.71073","MoKα","","0.0454","0.0328","","","0.0699","0.0747","","","","","","1.03","","","","has coordinates","243991","2020-10-21","18:00:00",""
"7125533","12.4355","0.0007","13.6661","0.0008","9.8989","0.0006","90","","90","","90","","1682.27","0.17","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 O Si2 -","- C15 H24 O Si2 -","- C60 H96 O4 Si8 -","4","1","","Blake, Alexander J.; Giblin, Gerard M. P.; Kirk, Douglas T.; Simpkins, Nigel S.; Wilson, Claire","The enantioselective generation of bridgehead enolates","Chemical Communications","2001","","24","2668","","10.1039/b108986m","","","0.71073","MoKα","","0.0353","0.0318","","","0.08","0.082","","","","","","1.015","","","","has coordinates","243994","2020-10-21","18:00:00",""
"7125557","13.5339","0.001","11.3119","0.0008","9.3316","0.0007","90","","90","","90","","1428.61","0.18","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Henderson, Alistair P.; Mutlu, Esra; Leclercq, Amélie; Bleasdale, Christine; Clegg, William; Henderson, Richard A.; Golding, Bernard T.","Trapping of benzene oxide-oxepin and methyl-substituted derivatives with 4-phenyl- and 4-pentafluorophenyl-1,2,4-triazoline-3,5-dione.","Chemical communications (Cambridge, England)","2002","","17","1956","1957","10.1039/b205079j","","","0.71073","MoKα","","0.0438","0.0388","","","0.0907","0.0935","","","","","","1.089","","","","has coordinates","244036","2020-10-21","18:00:00",""
"7125609","7.491","0.003","15.386","0.006","11.226","0.004","90","","90","","90","","1293.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 Mn N O5 -","- C12 H13 Mn N O5 -","- C48 H52 Mn4 N4 O20 -","4","1","","Tian, Chong-Bin; Chen, Rui-Ping; He, Chao; Li, Wei-Jin; Wei, Qi; Zhang, Xu-Dong; Du, Shao-Wu","Reversible crystal-to-amorphous-to-crystal phase transition and a large magnetocaloric effect in a spongelike metal organic framework material.","Chemical communications (Cambridge, England)","2014","50","15","1915","1917","10.1039/c3cc48325h","","","0.71073","MoKα","","0.0335","0.0328","","","0.0839","0.0848","","","","","","1.018","","","","has coordinates","244391","2020-10-21","18:00:00",""
"7125672","25.67","0.002","10.522","0.0007","9.8072","0.0012","90","","90","","90","","2648.9","0.4","292.86","0.1","292.86","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H23 I N2 O3 S -","- C29 H23 I N2 O3 S -","- C116 H92 I4 N8 O12 S4 -","4","1","","Qiu, Yi-Feng; Niu, Yue-Jie; Song, Xian-Rong; Wei, Xi; Chen, Hui; Li, Shun-Xi; Wang, Xi-Cun; Huo, Congde; Quan, Zheng-Jun; Liang, Yong-Min","Iodine promoted cascade cycloisomerization of 1-en-6,11-diynes.","Chemical communications (Cambridge, England)","2020","56","9","1421","1424","10.1039/c9cc08286g","","x-ray","0.71073","MoKα","","0.0755","0.0515","","","0.0938","0.1061","","","","","","1.067","","","","has coordinates","247618","2020-10-21","18:00:00",""
"7125687","8.3732","0.0005","13.5112","0.0007","5.8925","0.0003","90","","90","","90","","666.63","0.06","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H5 N O2 Se -","- C6 H5 N O2 Se -","- C24 H20 N4 O8 Se4 -","4","1","","He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M.","In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF.","Chemical communications (Cambridge, England)","2020","56","8","1286","1289","10.1039/c9cc07851g","","","1.54184","CuKα","","0.0329","0.0325","","","0.0877","0.088","","","","","","1.016","","","","has coordinates","247581","2020-10-21","18:00:00",""
"7125744","17.423","0.002","11.8598","0.001","6.6646","0.0005","90","","90","","90","","1377.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H16 N4 S -","- C14 H16 N4 S -","- C56 H64 N16 S4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.1375","0.1166","","","0.2577","0.272","","","","","","1.11","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125762","20.5758","0.0007","17.6627","0.0008","11.0017","0.0004","90","","90","","90","","3998.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H38 Cl2 I2 N8 Ni2 Zn -","- C37 H38 Cl2 I2 N8 Ni2 Zn -","- C148 H152 Cl8 I8 N32 Ni8 Zn4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1029","0.0883","","","0.2313","0.2592","","","","","","1.141","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125821","20.8992","0.0003","15.4821","0.0002","30.637","0.0004","90","","90","","90","","9913","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C108 H59 B2 Cl5 F40 Zr3 -","- C108 H58 B2 Cl5 F40 Zr3 -","- C432 H232 B8 Cl20 F160 Zr12 -","4","1","","Budzelaar, Peter H. M.; Hughes, David L.; Bochmann, Manfred; Macchioni, Alceo; Rocchigiani, Luca","H<sub>2</sub> activation by zirconaziridinium ions: σ-bond metathesis versus frustrated Lewis pair reactivity.","Chemical communications (Cambridge, England)","2020","56","17","2542","2545","10.1039/c9cc09466k","","x-ray","0.71073","MoKα","","0.0592","0.0489","","","0.1087","0.1128","","","","","","1.024","","","","has coordinates,has disorder","248813","2020-10-21","18:00:00",""
"7125867","8.5365","0.0019","10.915","0.002","18.183","0.004","90","","90","","90","","1694.2","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 O5 -","- C22 H16 O5 -","- C88 H64 O20 -","4","1","","Feng, Shumin; Gong, Shengyi; Feng, Guoqiang","Aggregation-induced emission and solid fluorescence of fluorescein derivatives.","Chemical communications (Cambridge, England)","2020","56","16","2511","2513","10.1039/c9cc09784h","","","0.71073","MoKα","","0.0491","0.0354","","","0.0852","0.0942","","","","","","1.014","","","","has coordinates","248817","2020-10-21","18:00:00",""
"7126176","12.071","0.002","33.798","0.007","11.609","0.002","90","","90","","90","","4736.2","1.5","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C51 H39 N6 O16 Tb2 -","- C51 H39 N6 O16 Tb2 -","- C204 H156 N24 O64 Tb8 -","4","1","","Yue, Dan; Wang, Yanyan; Chen, Dong; Wang, Zhenling","Solvent triggering structural changes for two terbium-based metal-organic frameworks and their photoluminescence sensing.","Chemical communications (Cambridge, England)","2020","56","31","4320","4323","10.1039/d0cc00353k","","","0.71073","MoKα","","0.0551","0.0395","","","0.0846","0.0957","","","","","","1.05","","","","has coordinates","251575","2020-10-21","18:00:00",""
"7126224","17.2715","0.0008","27.171","0.003","7.9406","0.0007","90","","90","","90","","3726.4","0.6","293","2","293","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H22 F10 I2 N2 O S2 -","- C34 H22 F10 I2 N2 O S2 -","- C136 H88 F40 I8 N8 O4 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.2522","0.1685","","","0.3775","0.4266","","","","","","1.108","","","","has coordinates,has disorder","251571","2020-10-21","18:00:00",""
"7126225","17.564","0.01","25.64","0.04","7.07","0.03","90","","90","","90","","3184","15","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H18 F10 I2 N2 O S2 -","- C31 H18 F10 I2 N2 O S2 -","- C124 H72 F40 I8 N8 O4 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.2562","0.1726","","","0.4108","0.482","","","","","","1.772","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126226","17.723","0.008","26.15","0.06","7","0.03","90","","90","","90","","3244","16","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.4345","0.1738","","","0.3915","0.5193","","","","","","1.055","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126227","17.556","0.004","26.464","0.017","7.633","0.002","90","","90","","90","","3546","3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.4824","0.2025","","","0.4301","0.5737","","","","","","1.096","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126228","17.2451","0.0006","27.2415","0.0016","7.9554","0.0003","90","","90","","90","","3737.3","0.3","293","2","293","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33.85 H24 F10 I2 N2 O2 S2 -","- C33.85 H24 F10 I2 N2 O2 S2 -","- C135.4 H96 F40 I8 N8 O8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.1592","0.119","","","0.2469","0.2726","","","","","","1.078","","","","has coordinates,has disorder","251571","2020-10-21","18:00:00",""
"7126229","17.449","0.004","26.511","0.015","7.536","0.011","90","","90","","90","","3486","6","297.9","0.1","297.9","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.3835","0.1399","","","0.3503","0.4872","","","","","","1.011","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126230","17.606","0.003","25.58","0.017","6.944","0.009","90","","90","","90","","3127","5","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H18 F10 I2 N2 O S2 -","- C31 H18 F10 I2 N2 O S2 -","- C124 H72 F40 I8 N8 O4 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.2098","0.1421","","","0.345","0.4147","","","","","","1.724","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126231","17.559","0.005","26.315","0.016","7.259","0.008","90","","90","","90","","3354","4","297.9","0.1","297.9","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H16 F10 I2 N2 S2 -","- C31 H16 F10 I2 N2 S2 -","- C124 H64 F40 I8 N8 S8 -","4","1","","Sobczak, Szymon; Półrolniczak, Aleksandra; Ratajczyk, Paulina; Cai, Weizhao; Gładysiak, Andrzej; Nikolayenko, Varvara I.; Castell, Dominic C.; Barbour, Leonard J.; Katrusiak, Andrzej","Large negative linear compressibility of a porous molecular co-crystal.","Chemical communications (Cambridge, England)","2020","56","31","4324","4327","10.1039/d0cc00461h","","x-ray","0.71073","MoKα","","0.4167","0.1781","","","0.3875","0.5136","","","","","","1.07","","","","has coordinates","251571","2020-10-21","18:00:00",""
"7126306","8.872","0.0004","12.3858","0.0007","9.6316","0.0005","90","","90","","90","","1058.39","0.09","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0558","0.0444","","","0.111","0.1218","","","","","","1.033","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126309","8.7406","0.0012","13.897","0.002","9.5194","0.0017","90","","90","","90","","1156.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta","Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.","Chemical communications (Cambridge, England)","2020","56","36","4874","4877","10.1039/d0cc00943a","","","0.71073","MoKα","","0.0998","0.0495","","","0.1184","0.1427","","","","","","1.024","","","","has coordinates","252717","2020-10-21","18:00:00",""
"7126319","25.9881","0.0011","22.3278","0.0007","15.5336","0.0005","90","","90","","90","","9013.5","0.6","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79.5 H83 Cl7 N16 S6 Sn4 -","- C79.5 H83 Cl7 N16 S6 Sn4 -","- C318 H332 Cl28 N64 S24 Sn16 -","4","1","","Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie","Trapping of ZnCl<sub>2</sub> by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.","Chemical communications (Cambridge, England)","2020","56","35","4769","4772","10.1039/d0cc01887b","","","1.54186","CuKα","","0.0719","0.0543","","","0.1347","0.1414","","","","","","0.896","","","","has coordinates,has disorder","251585","2020-10-21","18:00:00",""
"7126360","23.933","0.001","12.5943","0.0006","4.744","0.0002","90","","90","","90","","1429.93","0.11","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H11 B2 F4 N3 O2 -","- C12 H11 B2 F4 N3 O2 -","- C48 H44 B8 F16 N12 O8 -","4","1","","Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim","BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF<sub>2</sub> chromophore.","Chemical communications (Cambridge, England)","2020","56","43","5791","5794","10.1039/d0cc01131b","","x-ray","0.71073","MoKα","","0.0549","0.04","","","0.09","0.099","","","","","","1.063","","","","has coordinates","252697","2020-10-21","18:00:00",""
"7126404","18.2744","0.0015","10.4465","0.0007","17.007","0.0012","90","","90","","90","","3246.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H34 Cl2 I N -","- C34 H34 Cl2 I N -","- C136 H136 Cl8 I4 N4 -","4","1","","Wang, Jiwei; Zhan, Licheng; Wang, Gendi; Wei, Yin; Shi, Min; Zhang, Jun","Pd-Promoted cross coupling of iodobenzene with vinylgold via an unprecedented phenyl transmetalation from Pd to Au.","Chemical communications (Cambridge, England)","2020","56","46","6213","6216","10.1039/d0cc02645j","","","0.71073","MoKα","","0.0545","0.034","","","0.0655","0.0758","","","","","","1.05","","","","has coordinates","253790","2020-10-21","18:00:00",""
"7126451","17.8332","0.0005","9.0061","0.0002","13.2032","0.0003","90","","90","","90","","2120.53","0.09","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 O8 Zn2 -","- C16 H20 O8 Zn2 -","- C64 H80 O32 Zn8 -","4","1","","Zhang, Jiajia; Cui, Fang; Li, Li; Liu, Yang; Zhang, Xiao; Cui, Tieyu","From coordination polymers to nanocrystals: general and facile synthesis of ultra-small metal oxide nanocrystals.","Chemical communications (Cambridge, England)","2020","56","45","6145","6148","10.1039/d0cc01248c","","","0.71073","MoKα","","0.036","0.0299","","","0.0637","0.0675","","","","","","1.07","","","","has coordinates","253822","2020-10-21","18:00:00",""
"7126471","17.8896","0.0005","11.8315","0.0003","14.1427","0.0004","90","","90","","90","","2993.46","0.14","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H40 Cl2 Cu2 N2 O3 P2 -","- C24 H40 Cl2 Cu2 N2 O3 P2 -","- C96 H160 Cl8 Cu8 N8 O12 P8 -","4","1","","Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J","Unexpected reactivity of a PONNOP 'expanded pincer' ligand.","Chemical communications (Cambridge, England)","2020","56","59","8198","8201","10.1039/d0cc02166k","","","0.71073","MoKα","","0.05","0.0385","","","0.0871","0.0923","","","","","","1.103","","","","has coordinates","254909","2020-10-21","18:00:00",""
"7126500","13.7895","0.0017","20.62","0.002","3.8818","0.0007","90","","90","","90","","1103.7","0.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9.6 H7.2 F0.8 N1.6 O2.4 -","- C9.6 H7.2 F0.8 N1.6 O2.4 -","- C48 H36 F4 N8 O12 -","5","1.25","","Sasmal, Sheuli; Sinha, Soumya Kumar; Lahiri, Goutam Kumar; Maiti, Debabrata","A directing group-assisted ruthenium-catalyzed approach to access meta-nitrated phenols.","Chemical communications (Cambridge, England)","2020","56","52","7100","7103","10.1039/d0cc02851g","","x-ray","0.71073","MoKα","","0.1315","0.071","","","0.1277","0.1654","","","","","","1.069","","","","has coordinates","253786","2020-10-21","18:00:00",""
"7126575","7.3132","0.0005","15.406","0.001","10.7773","0.0006","90","","90","","90","","1214.25","0.13","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H13 N2 S Se -","- C11 H14 N2 S Se -","- C44 H56 N8 S4 Se4 -","4","1","","Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna","Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB.","Chemical communications (Cambridge, England)","2020","56","65","9280","9283","10.1039/d0cc02232b","","","0.71073","MoKα","","0.0691","0.0592","","","0.1554","0.1622","","","","","","1.112","","","","has coordinates","256024","2020-10-21","18:00:00",""
"7126764","25.661","0.002","13.0847","0.0013","12.5254","0.0012","90","","90","","90","","4205.6","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38.5 H33 Cl5 Fe2 N4 -","- C38.5 H33 Cl5 Fe2 N4 -","- C154 H132 Cl20 Fe8 N16 -","4","1","","Wang, Liang; Wang, Xiaowu; Hou, Hongbin; Zhu, Guangqian; Han, Zhenyu; Yang, Weiying; Chen, Xiao; Wang, Qinggang","An unsymmetrical binuclear iminopyridine-iron complex and its catalytic isoprene polymerization.","Chemical communications (Cambridge, England)","2020","56","62","8846","8849","10.1039/d0cc04122j","","","0.71073","MoKα","","0.1486","0.0868","","","0.198","0.2194","","","","","","1.099","","","","has coordinates,has disorder","256000","2020-10-21","18:00:00",""
"7126790","19.637","0.004","27.707","0.006","19.921","0.004","90","","90","","90","","10839","4","100","","100","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C104.5 H76.5 B4 F16 Fe2 N16 O6.5 S6 -","- C104.5 H76.5 B4 F16 Fe2 N16 O6.5 S6 -","- C418 H306 B16 F64 Fe8 N64 O26 S24 -","4","1","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.0688","0.0582","","","0.177","0.1904","","","","","","1.036","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126791","19.69","0.004","27.779","0.006","19.967","0.004","90","","90","","90","","10921","4","150","","150","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C102.22 H75.65 B4 F16 Fe2 N15 O6.25 S6 -","- C102.264 H73.676 B4 F16 Fe2 N15 O6.25 S6 -","- C409.056 H294.704 B16 F64 Fe8 N60 O25 S24 -","4","1","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.0693","0.0571","","","0.1733","0.1901","","","","","","1.048","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126793","19.772","0.004","27.872","0.006","20.025","0.004","90","","90","","90","","11035","4","200","","200","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C101.17 H72.75 B4 F16 Fe2 N14.58 O6 S6 -","- C101.167 H71.75 B4 F16 Fe2 N14.5833 O6 S6 -","- C404.666 H287 B16 F64 Fe8 N58.3332 O24 S24 -","4","1","","Howard-Smith, Kyle J; Craze, Alexander R.; Zenno, Hikaru; Yagyu, Junya; Hayami, Shinya; Li, Feng","A large dinuclear Fe(ii) triple helicate demonstrating a two-step spin crossover.","Chemical communications (Cambridge, England)","2020","56","62","8838","8841","10.1039/d0cc03708g","","","0.71073","MoKα","","0.1037","0.0888","","","0.2465","0.2745","","","","","","1.083","","","","has coordinates,has disorder","256004","2020-10-21","18:00:00",""
"7126852","12.4892","0.0011","7.3635","0.0006","18.9497","0.0017","90","","90","","90","","1742.7","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Wen, Chunxia; Zhong, Ronglin; Qin, Zengxin; Zhao, Mengfei; Li, Jizhen","Regioselective remote C5 cyanoalkoxylation and cyanoalkylation of 8-aminoquinolines with azobisisobutyronitrile.","Chemical communications (Cambridge, England)","2020","56","66","9529","9532","10.1039/d0cc00014k","","","0.71073","MoKα","","0.0526","0.0403","","","0.0896","0.0957","","","","","","1.049","","","","has coordinates","255988","2020-10-21","18:00:00",""
"7126881","13.891","0.0004","16.245","0.0004","6.9806","0.0002","90","","90","","90","","1575.24","0.07","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H12 F3 N O3 S -","- C16 H12 F3 N O3 S -","- C64 H48 F12 N4 O12 S4 -","4","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.","Chemical communications (Cambridge, England)","2020","56","63","8908","8911","10.1039/d0cc03480k","","","1.54184","CuKα","","0.0371","0.0362","","","0.0943","0.0955","","","","","","1.041","","","","has coordinates","255956","2020-10-21","18:00:00",""
"7126951","11.712","0.002","11.717","0.002","17.423","0.003","90","","90","","90","","2390.9","0.7","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H25 N O8 -","- C25 H25 N O8 -","- C100 H100 N4 O32 -","4","1","","Yu, Yang; Wang, Xin-Yu; Peng, Ju-Yin; Liu, Tao; Zhao, Yu-Long","Copper-catalyzed cascade cyclization reaction of 3-aminocyclobutenones with electron-deficient internal alkynes: synthesis of fully substituted indoles.","Chemical communications (Cambridge, England)","2020","56","68","9815","9818","10.1039/d0cc00512f","","","1.54178","CuKα","","0.0399","0.0329","","","0.0733","0.077","","","","","","1.067","","","","has coordinates","256012","2020-10-21","18:00:00",""
"7127104","23.3078","0.0012","14.5446","0.0004","17.1713","0.0005","90","","90","","90","","5821.1","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(dipp)2(Mes)","[MesPDIMe]U(N-dipp)2(N-Mes)","","- C65 H88 N6 U -","- C65 H88 N6 U -","- C260 H352 N24 U4 -","4","1","","Raghavan, Adharsh; Anderson, Nickolas H.; Tatebe, Caleb J.; Stanley, Dalton A.; Zeller, Matthias; Bart, Suzanne C.","Insight into geometric preferences in uranium(VI) mixed tris(imido) systems.","Chemical communications (Cambridge, England)","2020","56","75","11138","11141","10.1039/d0cc03261a","","","0.71073","MoKα","","0.1034","0.043","","","0.0715","0.0836","","","","","","0.917","","","","has coordinates","257255","2020-10-21","18:00:00",""
"7127163","8.403","0.0017","24.858","0.005","33.616","0.007","90","","90","","90","","7022","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Zn(NCP2)2(O2CH)2]","catena-((4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)biphenyl-4-carboxylato)bis(mu2-methanoato)-di-zinc)","","- C54 H32 N8 O8 Zn2 -","- C54 H32 N8 O8 Zn2 -","- C216 H128 N32 O32 Zn8 -","4","1","","Setter, Caitlin J.; Price, Michael B.; Conte, Luke; Schmitt, Wolfgang; Batten, Stuart R.; Richardson, Christopher; Hill, Matthew R.; Babarao, Ravichandar; Macreadie, Lauren K.","Mixed donor, phenanthroline photoactive MOFs with favourable CO<sub>2</sub> selectivity.","Chemical communications (Cambridge, England)","2020","56","87","13377","13380","10.1039/d0cc05715k","","","0.71073","synchrotron","","0.0842","0.0504","","","0.1316","0.1498","","","","","","0.988","","","","has coordinates","260707","2021-01-07","04:59:00",""
"7127178","22.125","0.009","8.337","0.004","12.839","0.005","90","","90","","90","","2368.2","1.8","93","","93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H35 Cl2 N2 Ni Rh S2 -","- C19 H35 Cl2 N2 Ni Rh S2 -","- C76 H140 Cl8 N8 Ni4 Rh4 S8 -","4","1","","Ogo, Seiji; Ando, Tatsuya; Minh, Le Tu Thi; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Yoon, Ki-Seok; Sato, Yukio; Hibino, Takashi; Kaneko, Kenji","A NiRhS fuel cell catalyst - lessons from hydrogenase.","Chemical communications (Cambridge, England)","2020","56","79","11787","11790","10.1039/d0cc04789a","","","0.71075","MoKα","","0.0258","0.025","","","0.0549","0.0554","","","","","","1.013","","","","has coordinates","260645","2021-01-07","04:41:50",""
"7127248","9.4753","0.0003","19.0877","0.0005","39.5036","0.0011","90","","90","","90","","7144.7","0.4","200","","200","","","","101","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H47 N O5 -","- C41.0015 H47.0035 N O5 -","- C328.012 H376.028 N8 O40 -","8","2","","Tlustý, Martin; Spálovská, Dita; Kohout, Michal; Eigner, Václav; Lhoták, Pavel","Ketone transformation as a pathway to inherently chiral rigidified calix[4]arenes.","Chemical communications (Cambridge, England)","2020","56","84","12773","12776","10.1039/d0cc05352j","","","1.54178","CuKα","","0.0658","0.0622","","0.1564","0.1529","0.1564","","","","","","0.9219","","","","has coordinates,has disorder","260696","2021-01-07","04:55:32",""
"7127418","18.6944","0.0003","5.0904","0.0001","15.1667","0.0002","90","","90","","90","","1443.29","0.04","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C72 H52 N20 -","4","1","","Zhang, Chunyan; Liang, Zuyu; Jia, Xiaofei; Wang, Maorong; Zhang, Guoying; Hu, Mao-Lin","A practical base mediated synthesis of 1,2,4-triazoles enabled by a deamination annulation strategy.","Chemical communications (Cambridge, England)","2020","56","91","14215","14218","10.1039/d0cc05828a","","x-ray","1.54184","CuKα","","0.0349","0.0345","","","0.0924","0.0927","","","","","","1.035","","","","has coordinates","260681","2021-01-07","04:51:48",""
"7127560","19.7417","0.0004","8.2997","0.0002","41.8665","0.001","90","","90","","90","","6859.8","0.3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H34 F12 N4 O4 P2 -","- C29 H34 F12 N4 O4 P2 -","- C232 H272 F96 N32 O32 P16 -","8","2","","Serpell, Christopher J.; Park, Ah Young; Robinson, Carol V.; Beer, Paul D.","Imidazolium-based catenane host for bromide recognition in aqueous media.","Chemical communications (Cambridge, England)","2021","57","1","101","104","10.1039/d0cc06299e","","","0.71073","MoKα","","0.1118","0.0739","","0.1934","0.1673","0.1934","","","","","","0.9123","","","","has coordinates","261527","2021-02-04","22:28:15",""
"7127642","16.406","0.003","25.363","0.006","23.926","0.012","90","","90","","90","","9956","6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- I14 K4 O51 U2 -","- I14 K4 O51 U2 -","- I112 K32 O408 U16 -","8","2","","Murphy, Gabriel L.; Wang, Yaxing; Kegler, Philip; Wang, Yumin; Wang, Shuao; Alekseev, Evgeny V.","The first actinide polyiodate: a complex multifunctional compound with promising X-ray luminescence properties and proton conductivity.","Chemical communications (Cambridge, England)","2021","57","4","496","499","10.1039/d0cc06835g","","","0.71073","MoKα","","0.0808","0.0547","","","0.1166","0.1317","","","","","","1.059","","","","has coordinates","261539","2021-02-04","22:33:59",""
"7127646","19.9308","0.0014","7.8474","0.0005","9.8836","0.0007","90","","90","","90","","1545.84","0.18","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H16 F I3 N2 Zn -","- C8 H16 F I3 N2 Zn -","- C32 H64 F4 I12 N8 Zn4 -","4","1","","Li, Jun-Yi; Xu, Qiu-Ling; Ye, Si-Yu; Tong, Liang; Chen, Xiang; Chen, Li-Zhuang","A multiaxial molecular ferroelectric with record high <i>T</i><sub>C</sub> designed by intermolecular interaction modulation.","Chemical communications (Cambridge, England)","2021","57","7","943","946","10.1039/d0cc07377f","","","0.71073","MoKα","","0.028","0.0274","","","0.0708","0.0712","","","","","","1.108","","","","has coordinates","261558","2021-02-04","22:42:27",""
"7127649","10.1266","0.0004","21.0008","0.0009","10.2483","0.0004","90","","90","","90","","2179.47","0.15","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Göbel, Dominik; Rusch, Pascal; Duvinage, Daniel; Bigall, Nadja C.; Nachtsheim, Boris J.","Emission color-tunable oxazol(in)yl-substituted excited-state intramolecular proton transfer (ESIPT)-based luminophores.","Chemical communications (Cambridge, England)","2020","56","98","15430","15433","10.1039/d0cc05780k","","x-ray","0.71073","MoKα","","0.0496","0.0414","","","0.0932","0.0968","","","","","","1.03","","","","has coordinates","259977","2020-12-19","01:56:38",""
"7127875","13.0313","0.0007","12.7774","0.0007","9.047","0.0004","90","","90","","90","","1506.38","0.13","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H17 B10 N O S -","- C8 H17 B10 N O S -","- C32 H68 B40 N4 O4 S4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","1.34138","GaKα","","0.0653","0.0397","","","0.0941","0.1042","","","","","","1.049","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127958","18.542","0.0009","14.0911","0.0007","8.2672","0.0004","90","","90","","90","","2160.03","0.18","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H22 F6 Fe N2 O6 S4 -","- C12 H22 F6 Fe N2 O6 S4 -","- C48 H88 F24 Fe4 N8 O24 S16 -","4","1","","Deutscher, Jennifer; Gerschel, Philipp; Warm, Katrin; Kuhlmann, Uwe; Mebs, Stefan; Haumann, Michael; Dau, Holger; Hildebrandt, Peter; Apfel, Ulf-Peter; Ray, Kallol","A bioinspired oxoiron(IV) motif supported on a N<sub>2</sub>S<sub>2</sub> macrocyclic ligand.","Chemical communications (Cambridge, England)","2021","57","23","2947","2950","10.1039/d1cc00250c","","","0.71073","MoKα","","0.0506","0.0341","","","0.0591","0.0641","","","","","","1.047","","","","has coordinates","263657","2021-04-05","14:04:29",""
"7127969","20.4843","0.0014","11.8547","0.0009","14.178","0.001","90","","90","","90","","3442.9","0.4","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(MeSiNAdP2)Co(CO)","","- C36 H54 Co N O P2 Si -","- C36 H54 Co N O P2 Si -","- C144 H216 Co4 N4 O4 P8 Si4 -","4","1","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.0658","0.053","","","0.132","0.1397","","","","","","1.024","","","","has coordinates","263630","2021-04-05","13:56:45",""
"7128051","11.7731","0.0008","6.9423","0.0004","40.482","0.003","90","","90","","90","","3308.7","0.4","292.11","0.19","292.11","0.19","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H17 B Br N O5 -","- C15 H17 B Br N O5 -","- C120 H136 B8 Br8 N8 O40 -","8","2","","Wang, Lucia; Lin, Shengjia; Zhu, Yawei; Ferrante, Daniel; Ishak, Timaf; Baba, Yuki; Sharma, Abhishek","α-Hydroxy boron-enabled regioselective access to bifunctional halo-boryl alicyclic ethers and α-halo borons.","Chemical communications (Cambridge, England)","2021","57","37","4564","4567","10.1039/d1cc00336d","","x-ray","1.54184","CuKα","","0.0996","0.0832","","","0.2259","0.2401","","","","","","1.079","","","","has coordinates","265841","2021-06-05","17:17:47",""
"7128125","21.0176","0.0005","11.6607","0.0003","11.4688","0.0002","90","","90","","90","","2810.77","0.11","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H23 Cl2 N O P2 Pd -","- C31 H23 Cl2 N O P2 Pd -","- C124 H92 Cl8 N4 O4 P8 Pd4 -","4","1","","Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","Novel approach to benzo-fused 1,2-azaphospholene involving a Pd(II)-assisted tandem P-C bond cleavage and P-N bond formation reaction.","Chemical communications (Cambridge, England)","2021","57","39","4835","4838","10.1039/d1cc01591e","","","0.71073","MoKα","","0.0312","0.0292","","","0.064","0.0657","","","","","","1.042","","","","has coordinates","265874","2021-06-05","17:26:58",""
"7128151","11.8381","0.0002","10.0385","0.0002","9.3211","0.0002","90","","90","","90","","1107.69","0.04","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H12 Cl3 F4 N -","- C4 H12 Cl3 F4 N -","- C16 H48 Cl12 F16 N4 -","4","1","","Pröhm, Patrick; Schwarze, Nico; Müller, Carsten; Steinhauer, Simon; Beckers, Helmut; Rupf, Susanne M.; Riedel, Sebastian","Non-classical polyinterhalides of chlorine monofluoride: experimental and theoretical characterization of [F(ClF)<sub>3</sub>]<sup/>.","Chemical communications (Cambridge, England)","2021","57","39","4843","4846","10.1039/d1cc01088c","","","1.54178","CuKα","","0.0204","0.0199","","","0.0517","0.0523","","","","","","1.069","","","","has coordinates","265872","2021-06-05","17:26:40",""
"7128412","23.3436","0.0014","4.9735","0.0003","11.5943","0.0005","90","","90","","90","","1346.09","0.13","149.99","0.1","149.99","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","","Zhang, Min; He, Xue-Wen; Xiong, Ya; Zuo, Xiong; Zhou, Wei; Liu, Xiong-Li","Asymmetric construction of six vicinal stereogenic centers on hexahydroxanthones <i>via</i> organocatalytic one-pot reactions.","Chemical communications (Cambridge, England)","2021","57","55","6764","6767","10.1039/d1cc02570h","","x-ray","1.54184","CuKα","","0.0364","0.0348","","","0.0876","0.09","","","","","","1.074","","","","has coordinates","268513","2021-09-06","09:03:52",""
"7128538","16.6558","0.0003","11.3245","0.0003","23.4109","0.0004","90","","90","","90","","4415.73","0.16","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H64 Br2 Cr2 N2 O18 -","- C28 H64 Br2 Cr2 N2 O18 -","- C112 H256 Br8 Cr8 N8 O72 -","4","1","","Zhou, Xun-Hui; Zeng, Ying; Tang, Shao-Bin; Yu, Zi-Ru; Cao, Li-Ming; Du, Zi-Yi; He, Chun-Ting","Solid solutions of flexible host-guest supramolecules for tuning molecular motion and phase transitions.","Chemical communications (Cambridge, England)","2021","57","59","7292","7295","10.1039/d1cc02061g","","","1.54178","CuKα","","0.0926","0.0799","","","0.2401","0.2632","","","","","","1.041","","","","has coordinates,has disorder","268581","2021-09-06","09:32:58",""
"7128550","19.4628","0.0006","13.3212","0.0004","9.6192","0.0003","90","","90","","90","","2493.95","0.13","100","","100","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C18 H25 Cl4 F6 N4 Ni O P -","- C18 H25 Cl4 F6 N4 Ni O P -","- C72 H100 Cl16 F24 N16 Ni4 O4 P4 -","4","1","","Na, Hanah; Watson, Michael B.; Tang, Fengzhi; Rath, Nigam P.; Mirica, Liviu M.","Photoreductive chlorine elimination from a Ni(iii)Cl<sub>2</sub> complex supported by a tetradentate pyridinophane ligand.","Chemical communications (Cambridge, England)","2021","57","59","7264","7267","10.1039/d1cc02114a","","","0.71073","MoKα","","0.0323","0.0316","","","0.1025","0.104","","","","","","0.969","","","","has coordinates,has disorder","268590","2021-09-06","09:35:31",""
"7128622","16.1033","0.0009","8.4274","0.0005","34.064","0.003","90","","90","","90","","4622.8","0.6","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C52 H42 N2 O6 -","- C52 H42 N2 O6 -","- C208 H168 N8 O24 -","4","1","","Yang, Xin; Yan, Yongkun; Zeng, Weixuan; Song, Ying; Li, Wenhao; Zhao, Lingli; Zhao, Yan; Chen, Huajie; Liu, Yunqi","Bis-acenaphthoquinone diimides with high electron deficiency and good coplanar conformation.","Chemical communications (Cambridge, England)","2021","57","63","7822","7825","10.1039/d1cc02693c","","x-ray","1.54184","CuKα","","0.0986","0.0859","","","0.2261","0.2443","","","","","","1.03","","","","has coordinates,has disorder","268522","2021-09-06","09:07:37",""
"7128744","13.9618","0.0005","8.6489","0.0003","26.7485","0.001","90","","90","","90","","3230","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 S -","- C22 H16 N2 S -","- C176 H128 N16 S8 -","8","2","","Chen, Song; Li, Ya-Nan; Xiang, Shao-Hua; Li, Shaoyu; Tan, Bin","Electrochemical phenothiazination of naphthylamines and its application in photocatalysis.","Chemical communications (Cambridge, England)","2021","57","68","8512","8515","10.1039/d1cc03276c","","x-ray","0.71073","MoKα","","0.0479","0.0424","","","0.1069","0.1111","","","","","","1.036","","","","has coordinates","268566","2021-09-06","09:29:39",""
"7128775","15.5399","0.0011","16.4844","0.0012","17.4224","0.0011","90","","90","","90","","4463","0.5","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H26 Cl12 N O5 P Si -","- C39 H26 Cl12 N O5 P Si -","- C156 H104 Cl48 N4 O20 P4 Si4 -","4","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.0308","0.0269","","","0.0634","0.0654","","","","","","1.061","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128862","9.8421","0.0019","19.15","0.004","10.45","0.002","90","","90","","90","","1969.6","0.7","192","2","192","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","","Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Cu(OTf)<sub>2</sub> catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.","Chemical communications (Cambridge, England)","2021","57","73","9248","9251","10.1039/d1cc03113a","","","0.71073","MoKα","","0.0915","0.0544","","","0.0999","0.1203","","","","","","1.094","","","","has coordinates","269606","2021-10-06","13:43:26",""
"7128881","40.1788","0.0014","21.4061","0.0007","11.3403","0.0003","90","","90","","90","","9753.5","0.5","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","[(Et3PAg)3(PhSi)3S6]","","- C36 H60 Ag3 P3 S6 Si3 -","- C36 H60 Ag3 P3 S6 Si3 -","- C288 H480 Ag24 P24 S48 Si24 -","8","2","","Nier, Simon; Ringelband, Sven; Dehnen, Stefanie","Selective replacement of organosilicon units in the cluster [(PhSi)<sub>4</sub>S<sub>6</sub>] with coinage metal complex fragments.","Chemical communications (Cambridge, England)","2021","57","79","10254","10257","10.1039/d1cc04264e","","","0.71073","MoKα","","0.0384","0.0265","","","0.0522","0.0536","","","","","","0.906","","","","has coordinates","270363","2021-11-06","18:49:05",""
"7129020","12.3475","0.0008","18.8728","0.0011","3.9943","0.0002","90","","90","","90","","930.8","0.09","302","2","302","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,2-dimethyl-6-nitro-1H-indazol-3(2H)-one","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Deka, Jugal Kishore Rai; Kalita, Debajit; Sahariah, Biswajit; Sarma, Bani Kanta","n<sub>N</sub> → π*<sub>Ar</sub> interactions stabilize the <i>E</i>-ac isomers of arylhydrazides and facilitate their S<sub>N</sub>Ar autocyclizations.","Chemical communications (Cambridge, England)","2021","57","85","11236","11239","10.1039/d1cc04533d","","","0.71073","MoKα","","0.044","0.0348","","","0.086","0.0937","","","","","","1.113","","","","has coordinates","270386","2021-11-06","18:54:51",""
"7129088","36.302","0.004","8.042","0.001","5.3509","0.0006","90","","90","","90","","1562.1","0.3","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Li, Qiao; Cai, Yun; Hu, Yuanyuan; Jin, Hongwei; Chen, Fener; Liu, Yunkui; Zhou, Bingwei","Nickel-catalyzed cyclization of 1,7-enynes for the selective synthesis of dihydrocyclobuta[<i>c</i>]quinolin-3-ones and benzo[<i>b</i>]azocin-2-ones.","Chemical communications (Cambridge, England)","2021","57","88","11657","11660","10.1039/d1cc04750g","","","1.34139","GaKα","","0.0536","0.0424","","","0.1024","0.1113","","","","","","1.061","","","","has coordinates","270347","2021-11-06","18:42:15",""
"7129133","20.61099","0.00013","12.54486","0.00009","10.50093","0.00007","90","","90","","90","","2715.14","0.03","140","0.1","140","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H36 Au Cl N2 O -","- C29 H36 Au Cl N2 O -","- C116 H144 Au4 Cl4 N8 O4 -","4","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0309","0.0309","","","0.0827","0.0827","","","","","","1.099","","","","has coordinates","270399","2021-11-06","19:00:07",""
"7129136","13.7239","0.0008","11.4384","0.0008","7.4518","0.0006","90","","90","","90","","1169.78","0.14","99.98","0.15","99.98","0.15","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ba2 F4 Fe I3 O9 -","- Ba2 F4 Fe I3 O9 -","- Ba8 F16 Fe4 I12 O36 -","4","1","","Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Fang, Zhi; Huang, Yu; Mao, Jiang-Gao","Ba<sub>2</sub>[FeF<sub>4</sub>(IO<sub>3</sub>)<sub>2</sub>]IO<sub>3</sub>: a promising nonlinear optical material achieved by chemical-tailoring-induced structure evolution.","Chemical communications (Cambridge, England)","2021","57","87","11525","11528","10.1039/d1cc04462a","","x-ray","0.71073","MoKα","","0.0409","0.0345","","","0.0734","0.0776","","","","","","1.031","","","","has coordinates","270394","2021-11-06","18:57:31",""
"7129219","13.9976","0.0006","32.7715","0.0015","5.6389","0.0002","90","","90","","90","","2586.69","0.19","150","","150","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","2","","Wang, Yu-Jiang; Zhang, Yuan; Qiang, Zou; Liang, Jia-Ying; Chen, Zili","Gold catalyzed efficient preparation of dihydrobenzofuran from 1,3-enyne and phenol","Chemical Communications","2021","","","","","10.1039/D1CC05260H","","","1.54178","CuKα","","0.0589","0.0563","","","0.1392","0.1428","","","","","","1.078","","","","has coordinates","270580","2021-11-10","22:57:20",""
"7129234","32.4751","0.0011","11.7571","0.0004","10.4836","0.0003","90","","90","","90","","4002.8","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H50 Cl N2 P Ru Sn -","- C44 H50 Cl N2 P Ru Sn -","- C176 H200 Cl4 N8 P4 Ru4 Sn4 -","4","1","","Jambor, Roman; Aman, Michal; Dostál, Libor; R°užička, Aleš; Tydlitat, Jiri; Beckmann, Jens; Turek, Jan","Sn,P-coordinated Ru cation: A robust catalyst for aerobic oxidations of benzylamine and benzyl alcohol","Chemical Communications","2021","","","","","10.1039/D1CC06173A","","","0.71073","MoKα","","0.0692","0.0412","","","0.0546","0.0594","","","","","","1.028","","","","has coordinates","270661","2021-11-15","22:56:51",""
"7129263","22.138","0.0015","6.6176","0.0004","22.4596","0.0011","90","","90","","90","","3290.3","0.3","193","2","193","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H27 N4 O2 Rh -","- C44 H27 N4 O2 Rh -","- C176 H108 N16 O8 Rh4 -","4","1","","Xue, Songlin; Liu, Ningchao; Mei, Peifeng; Kuzuhara, Daiki; Zhou, Mingbo; Pan, Jianming; Yamada, Hiroko; Qiu, Fengxian","Porphyrin(2.1.2.1) as a novel binucleating ligand: synthesis and molecular structures of mono- and di-rhodium(i) complexes","Chemical Communications","2021","","","","","10.1039/D1CC05641G","","","1.34139","GaKα","","0.1693","0.0977","","","0.2401","0.285","","","","","","1.014","","","","has coordinates,has disorder","270698","2021-11-16","23:02:17",""
"7129427","49.546","0.002","8.894","0.0004","14.6374","0.0007","90","","90","","90","","6450.1","0.5","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H24 B2 F3 N7 O3 S2 -","- C16 H24 B2 F3 N7 O3 S2 -","- C192 H288 B24 F36 N84 O36 S24 -","12","3","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.078","0.0731","","","0.1945","0.1983","","","","","","1.12","","","","has coordinates,has disorder","271516","2021-12-18","22:54:49",""
"7129466","15.8519","0.0013","10.8312","0.0008","16.0462","0.0012","90","","90","","90","","2755.1","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H40 Cl Ge N2 P -","- C27 H40 Cl Ge N2 P -","- C108 H160 Cl4 Ge4 N8 P4 -","4","1","","Fan, Jun; Quek, Shina; Yang, Ming-Chung; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Reversible CO2 activation by a N-phosphinoamidinato digermyne","Chemical Communications","2022","","","","","10.1039/D1CC05391D","","","0.71073","MoKα","","0.1342","0.0891","","","0.2074","0.2518","","","","","","0.993","","","","has coordinates","271620","2021-12-24","23:08:14",""
"7129555","25.483","0.003","3.8577","0.0003","25.757","0.003","90","","90","","90","","2532.1","0.5","302","2","302","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H10 N2 O -","- C18 H10 N2 O -","- C144 H80 N16 O8 -","8","2","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","","0.71073","MoKα","","0.1727","0.081","","","0.2076","0.271","","","","","","1.038","","","","has coordinates","272009","2022-01-12","22:59:36",""
"7129600","16.0479","0.0007","28.4512","0.0013","18.5315","0.0009","90","","90","","90","","8461.1","0.7","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","FeCp*(dvpe)Cl","","- C80 H124 Cl4 Fe4 P8 -","- C80 H124 Cl4 Fe4 P8 -","- C320 H496 Cl16 Fe16 P32 -","4","1","","Zurakowski, Joseph A.; Austen, Brady; Brown, Kasey C.; Drover, Marcus W.","Bis(1-Bora-4-phosphorinane) Ring Closure at Cp*M (M = Fe, Co) Complexes","Chemical Communications","2022","","","","","10.1039/D1CC07060F","","","1.54178","CuKα","","0.0702","0.0493","","","0.0978","0.1081","","","","","","1.027","","","","has coordinates,has disorder","272163","2022-01-20","22:50:04",""
"7129632","27.8565","0.0005","13.9634","0.0003","20.9861","0.0004","90","","90","","90","","8163","0.3","132","13","132","13","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C76 H116 Fe4 O8 Sb4 -","- C76 H116 Fe4 O8 Sb4 -","- C304 H464 Fe16 O32 Sb16 -","4","1","","Heinl, Veronika; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Synthesis of polyantimony ligand complexes starting from Cp*4Sb4","Chemical Communications","2022","","","","","10.1039/D1CC06770B","","x-ray","1.54184","CuKα","","0.0633","0.0538","","","0.1335","0.1425","","","","","","1.025","","","","has coordinates,has disorder","272304","2022-01-27","22:52:04",""
"7129718","23.8979","0.0005","13.1994","0.0003","7.8514","0.0002","90","","90","","90","","2476.63","0.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C2 H15 I4 Mo2 N6 O19 -","- C2 H16 I4 Mo2 N6 O19 -","- C8 H64 I16 Mo8 N24 O76 -","4","1","","Zeng, Wei; Dong, Xuehua; Tian, Yao; Huang, Ling; Zeng, Hongmei; Lin, Zhien; Zou, Guohong","Unprecedented boat-shaped [Mo2O5(IO3)4]2- polyanions induced strong second harmonic generation response","Chemical Communications","2022","","","","","10.1039/D2CC00134A","","x-ray","0.71073","MoKα","","0.0376","0.0314","","","0.0882","0.0911","","","","","","1.083","","","","has coordinates","272976","2022-02-15","22:54:40",""
"7129774","18.558","0.003","9.2607","0.0014","10.3515","0.0016","90","","90","","90","","1779","0.5","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 N S2 -","- C21 H19 N S2 -","- C84 H76 N4 S8 -","4","1","","Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom","SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration","Chemical Communications","2022","","","","","10.1039/D1CC06981K","","","0.71073","MoKα","","0.0753","0.0588","","","0.1415","0.1522","","","","","","1.04","","","","has coordinates","273209","2022-03-02","22:53:37",""
"7129976","25.504","0.0018","16.6135","0.0011","15.9169","0.0011","90","","90","","90","","6744.2","0.8","137","2","137","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H78 B2 F6 N6 Sb -","- C60 H78 B2 F6 N6 Sb -","- C240 H312 B8 F24 N24 Sb4 -","4","1","","Xie, Zhuofeng; Dai, Yuyang; Bao, Manling; Feng, Zhongtao; Wang, Wenjuan; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","Crystalline radical cations of bis-BN-based analogues of Thiele's hydrocarbon","Chemical Communications","2022","","","","","10.1039/D2CC01254E","","","1.34139","GaKα","","0.0717","0.0707","","","0.2198","0.2215","","","","","","1.067","","","","has coordinates","274495","2022-04-12","21:56:37",""
"7130151","14.42","0.005","37.96","0.009","8.121","0.003","90","","90","","90","","4445","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H22 N2 O -","- C31 H22 N2 O -","- C248 H176 N16 O8 -","8","2","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","x-ray","1.54184","CuKα","","0.2719","0.1329","","","0.2932","0.3942","","","","","","0.982","","","","has coordinates","275642","2022-05-25","21:56:32",""
"7130178","8.8678","0.0011","34.13","0.004","8.4805","0.0009","90","","90","","90","","2566.7","0.5","140","2","140","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C68 H48 N4 O4 -","- C68 H48 N4 O4 -","- C136 H96 N8 O8 -","2","0.5","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.0556","0.0461","","","0.0964","0.1035","","","","","","1.059","","","","has coordinates","275722","2022-06-01","22:00:12",""
"7130217","9.1178","0.0003","18.3487","0.0007","8.0923","0.0003","90","","90","","90","","1353.84","0.08","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Charette, André B.; St-Jacques, Kevin; Ladd, Carolyn L.","Access to hexahydroazepinone heterocycles via palladium-catalysed C(sp3)–H alkenylation/ring-opening of cyclopropanes","Chemical Communications","2022","","","","","10.1039/D2CC01917E","","x-ray","1.54178","CuKα","","0.0355","0.0351","","","0.0915","0.0923","","","","","","1.048","","","","has coordinates","275942","2022-06-09","21:56:00",""
"7130256","7.6766","0.0002","6.0445","0.0001","8.994","0.0002","90","","90","","90","","417.332","0.016","301.76","","301.76","","","","","","","","","3","P n a 21","P 2c -2n","33","","Lanthanum Orthothioborate","","- B La S3 -","- B La S3 -","- B4 La4 S12 -","4","1","","Breton, Logan S.; Morrison, Gregory; Lacroix, Matthew; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Lanthanide Thioborates, an Emerging Class of Nonlinear Optical Materials, Efficiently Synthesized Using the Boron-Chalcogen Mixture Method","Chemical Communications","2022","","","","","10.1039/D2CC01260J","","","0.71073","MoKα","","0.0076","0.0076","","","0.0177","0.0177","","","","","","1.194","","","","has coordinates","276134","2022-06-21","21:54:18",""
"7130257","7.5432","0.0002","6.0072","0.0001","8.8897","0.0002","90","","90","","90","","402.824","0.016","299.54","","299.54","","","","","","","","","3","P n a 21","P 2c -2n","33","","Praseodymium Orthothioborate","","- B Pr S3 -","- B Pr S3 -","- B4 Pr4 S12 -","4","1","","Breton, Logan S.; Morrison, Gregory; Lacroix, Matthew; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Lanthanide Thioborates, an Emerging Class of Nonlinear Optical Materials, Efficiently Synthesized Using the Boron-Chalcogen Mixture Method","Chemical Communications","2022","","","","","10.1039/D2CC01260J","","","0.71073","MoKα","","0.0094","0.0094","","","0.0204","0.0204","","","","","","1.165","","","","has coordinates","276134","2022-06-21","21:54:19",""
"7130258","7.6059","0.0002","6.0181","0.0001","8.9311","0.0002","90","","90","","90","","408.804","0.016","300.8","","300.8","","","","","","","","","3","P n a 21","P 2c -2n","33","","Cerium Orthothioborate","","- B Ce S3 -","- B Ce S3 -","- B4 Ce4 S12 -","4","1","","Breton, Logan S.; Morrison, Gregory; Lacroix, Matthew; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Lanthanide Thioborates, an Emerging Class of Nonlinear Optical Materials, Efficiently Synthesized Using the Boron-Chalcogen Mixture Method","Chemical Communications","2022","","","","","10.1039/D2CC01260J","","","0.71073","MoKα","","0.008","0.0079","","","0.0173","0.0174","","","","","","1.124","","","","has coordinates","276134","2022-06-21","21:54:20",""
"7130259","7.4818","0.0002","6.0037","0.0001","8.853","0.0002","90","","90","","90","","397.663","0.015","300.33","","300.33","","","","","","","","","3","P n a 21","P 2c -2n","33","","Neodymium Orthothioborate","","- B Nd S3 -","- B Nd S3 -","- B4 Nd4 S12 -","4","1","","Breton, Logan S.; Morrison, Gregory; Lacroix, Matthew; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Lanthanide Thioborates, an Emerging Class of Nonlinear Optical Materials, Efficiently Synthesized Using the Boron-Chalcogen Mixture Method","Chemical Communications","2022","","","","","10.1039/D2CC01260J","","","0.71073","MoKα","","0.0081","0.008","","","0.0178","0.0178","","","","","","1.146","","","","has coordinates","276134","2022-06-21","21:54:20",""
"7130379","18.7204","0.0002","10.8134","0.0001","18.6892","0.0002","90","","90","","90","","3783.28","0.07","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H30 Al B F15 N3 O2 -","- C38 H30 Al B F15 N3 O2 -","- C152 H120 Al4 B4 F60 N12 O8 -","4","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.0244","0.0241","","","0.0622","0.0624","","","","","","1.036","","","","has coordinates","276909","2022-07-23","22:06:06",""
"7130452","7.8431","0.0011","25.178","0.003","11.0713","0.0016","90","","90","","90","","2186.3","0.5","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","Galia86b (Pritam)","","","- C16 H19 Cl2 Cu N5 O10 -","- C16 H19 Cl2 Cu N5 O10 -","- C64 H76 Cl8 Cu4 N20 O40 -","4","1","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.1707","0.0577","","","0.0725","0.0944","","","","","","0.887","","","","has coordinates","277040","2022-08-02","21:52:51",""
"7130455","7.8052","0.0006","25.0379","0.0018","11.0594","0.0008","90","","90","","90","","2161.3","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","Galia72b (Pritam)","","","- C16 H19 Cl2 Cu N5 O10 -","- C16 H19 Cl2 Cu N5 O10 -","- C64 H76 Cl8 Cu4 N20 O40 -","4","1","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.0497","0.0398","","","0.0876","0.0909","","","","","","0.979","","","","has coordinates","277040","2022-08-02","21:53:13",""
"7130474","14.6141","0.0004","29.7385","0.001","5.6446","0.0002","90","","90","","90","","2453.15","0.14","100","","100.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H26 O6 -","- C30 H26 O6 -","- C120 H104 O24 -","4","1","","Wang, Zhihan; Amjaour, Houssein; Robertson, Joseph E. M.; Azizov, Djavdat; Ugrinov, Angel; Chu, Qianli R.","A recyclable thermoset with built-in thermocleavable group developed from a <i>cis</i>-cyclobutane-1,2-dicarboxylic acid.","Chemical communications (Cambridge, England)","2022","58","63","8850","8853","10.1039/d2cc01502a","","","1.54178","CuKα","","0.0426","0.036","","","0.081","0.0852","","","","","","1.063","","","","has coordinates","277069","2022-08-04","21:54:02",""
"7130542","11.509","0.002","14.815","0.003","7.056","0.0014","90","","90","","90","","1203.1","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Soltau, Carl P.; Brown, Zachary; Brock, Aidan J.; Martyn, Alexander P.; Blinco, James P.; Miljevic, Branka; McMurtrie, John C.; Bottle, Steven E.","Reactions of Sulfoxides with Reactive Oxygen Species to Reveal the Radical Chemistry of Pollution-Derived Particulate Matter","Chemical Communications","2022","","","","","10.1039/D2CC04024G","","","0.7108","Synchrotron","","0.0344","0.0343","","","0.0918","0.0919","","","","","","1.073","","","","has coordinates","277282","2022-08-17","21:56:32",""
"7130574","14.8451","0.0009","13.9999","0.0011","12.1839","0.0009","90","","90","","90","","2532.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H29 Fe N Se -","- C33 H29 Fe N Se -","- C132 H116 Fe4 N4 Se4 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0689","0.0481","","","0.1103","0.1333","","","","","","1.045","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130705","22.013","0.003","11.4171","0.0016","11.6725","0.0017","90","","90","","90","","2933.6","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H25 N3 O22 Zn3 -","- C20 H12 N3 O22 Zn3 -","- C80 H48 N12 O88 Zn12 -","4","1","","Garai, Abhijit; Goswami, Anindita; Biradha, Kumar","In situ conversion of MOG to crystalline MOF: A case study on solvent-dependent gelation and crystallization","Chemical Communications","2022","","","","","10.1039/D2CC04724A","","","0.71073","MoKα","","0.1836","0.0781","","","0.1606","0.2084","","","","","","0.926","","","","has coordinates","277808","2022-09-13","21:52:25",""
"7130806","20.0953","0.0008","10.1679","0.0004","17.1211","0.0007","90","","90","","90","","3498.3","0.2","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H52 Cu F2 N6 P Si -","- C32 H52 Cu F2 N6 P Si -","- C128 H208 Cu4 F8 N24 P4 Si4 -","4","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0579","0.0506","","","0.1236","0.1285","","","","","","1.08","","","","has coordinates","278336","2022-10-04","21:59:08",""
"7130823","12.1137","0.0001","30.6579","0.0003","15.4796","0.0001","90","","90","","90","","5748.82","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C57 H65 Li2 N5 Si2 -","- C57 H65 Li2 N5 Si2 -","- C228 H260 Li8 N20 Si8 -","4","1","","Baguli, Sudip; Das, Shovan; Chakraborty, Mahua; Goswami, Santu; Datta, Ayan; Mukherjee, Debabrata","[(Flu)-(CH2)2-(NHC)-CH2-(NHC)-(CH2)2-(Flu)]2-: an ‘all-organic’ hybrid and flexible ligand that enwraps a Ca2+ pseudo-tetrahedrally.","Chemical Communications","2022","","","","","10.1039/D2CC04700D","","x-ray","1.54184","CuKα","","0.0555","0.0526","","","0.1424","0.145","","","","","","1.057","","","","has coordinates","278384","2022-10-06","21:57:25",""
"7130908","20.9157","0.0011","4.9145","0.0003","23.0352","0.0013","90","","90","","90","","2367.8","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H22 N4 O2 S2 -","- C26 H22 N4 O2 S2 -","- C104 H88 N16 O8 S8 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0812","0.0605","","","0.1421","0.1554","","","","","","1.005","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130966","48.4768","0.0018","17.0639","0.0007","16.775","0.0007","90","","90","","90","","13876.3","1","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C146 H119 F36 N13 O2 P6 -","- C132 H98 F36 N6 O2 P6 -","- C528 H392 F144 N24 O8 P24 -","4","1","","Cao, Fan; Duan, Honghong; Li, Qingfang; Cao, Liping","A tetraphenylethene-based hexacationic molecular cage with an open cavity","Chemical Communications","2022","","","","","10.1039/D2CC05153B","","","1.34139","GaKα","","0.0974","0.091","","","0.1862","0.1891","","","","","","1.073","","","","has coordinates,has disorder","279120","2022-11-08","22:56:03",""
"7130991","23.4083","0.00018","10.04593","0.00007","14.80861","0.00011","90","","90","","90","","3482.37","0.04","99.99","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 K P2 Pr -","- C37 H46 K P2 Pr -","- C148 H184 K4 P8 Pr4 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","1.54184","CuKα","","0.0305","0.0303","","","0.0794","0.0797","","","","","","1.052","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130992","23.4224","0.0002","10.0677","0.0001","14.906","0.0001","90","","90","","90","","3514.98","0.05","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 K La P2 -","- C37 H46 K La P2 -","- C148 H184 K4 La4 P8 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","1.54184","CuKα","","0.037","0.0363","","","0.0982","0.0988","","","","","","1.115","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130993","23.4361","0.0001","9.9974","0.0001","14.8509","0.0001","90","","90","","90","","3479.57","0.04","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 K P2 U -","- C37 H46 K P2 U -","- C148 H184 K4 P8 U4 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","1.54184","CuKα","","0.0222","0.0222","","","0.0594","0.0595","","","","","","1.08","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130994","23.4277","0.0012","10.0191","0.0004","14.8503","0.0006","90","","90","","90","","3485.7","0.3","119","5","119","5","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 K Np P2 -","- C37 H46 K Np P2 -","- C148 H184 K4 Np4 P8 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.0636","0.0401","","","0.0569","0.0631","","","","","","1.029","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130995","23.4368","0.0002","10.0489","0.0001","14.8574","0.0001","90","","90","","90","","3499.13","0.05","99.99","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 Ce K P2 -","- C37 H46 Ce K P2 -","- C148 H184 Ce4 K4 P8 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","1.54184","CuKα","","0.0432","0.0429","","","0.1509","0.1511","","","","","","1.174","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7131040","23.9942","0.0006","33.9029","0.001","21.939","0.0007","90","","90","","90","","17846.8","0.9","170","2","170.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H62 B11 N O2 -","- C45 H62 B11 N O2 -","- C720 H992 B176 N16 O32 -","16","4","","Jin, Yujie; Sun, Jizeng; Zhang, Kang; Liu, Jiyong; Wörle, Michael; Duttwyler, Simon","Palladium-catalyzed B7-11 penta-arylation of the {CB<sub>11</sub>} monocarborane cluster.","Chemical communications (Cambridge, England)","2022","59","1","67","70","10.1039/d2cc05422a","","x-ray","0.71073","MoKα","K-L~3~","0.0936","0.0565","","","0.1292","0.1487","","","","","","1.012","","","","has coordinates,has disorder","283023","2023-05-05","00:03:42",""
"7131088","18.66","0.002","13.2963","0.0015","7.8585","0.0009","90","","90","","90","","1949.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H24 N4 O2 -","- C22 H24 N4 O2 -","- C88 H96 N16 O8 -","4","1","","Toda, Yasunori; Kooguchi, Airi; Sukegawa, Kimiya; Kikuchi, Ayaka; Suga, Hiroyuki","Ring-fused hexahydro-1,2,4,5-tetrazines: synthesis, structure, and mechanistic studies on isolable rotational isomers.","Chemical communications (Cambridge, England)","2023","59","6","700","703","10.1039/d2cc06170h","","","0.71073","MoKα","","0.0561","0.0418","","","0.1046","0.1136","","","","","","1.253","","","","has coordinates","283036","2023-05-05","00:09:53",""
"7131133","22.4973","0.0006","10.7901","0.0003","13.0307","0.0003","90","","90","","90","","3163.18","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H39 N8 O2 W -","- C33 H39 N8 O2 W -","- C132 H156 N32 O8 W4 -","4","1","","Manakin, Yu V.; Mironov, V. S.; Bazhenova, T. A.; Yakushev, I. A.; Gilmutdinov, I. F.; Simonov, S. V.; Yagubskii, E. B.","(Et<sub>4</sub>N)[W<sup>III</sup>(DAPBH)(CN)<sub>2</sub>], the first pentagonal-bipyramidal W(III) complex with unquenched orbital angular momentum: a novel Ising-type magnetic building block for single-molecule magnets.","Chemical communications (Cambridge, England)","2023","59","5","643","646","10.1039/d2cc05998c","","","0.71073","MoKα","","0.0384","0.0293","","","0.0612","0.0639","","","","","","1.061","","","","has coordinates","281323","2023-03-04","17:41:05",""
"7131149","25.8351","0.0009","12.3566","0.0005","8.2933","0.0003","90","","90","","90","","2647.5","0.17","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H28 N2 S2 -","- C36 H28 N2 S2 -","- C144 H112 N8 S8 -","4","1","","Harada, Kaho; Hasegawa, Chika; Matsumoto, Taisuke; Sugishita, Hiroki; Kitamura, Chitoshi; Higashibayashi, Shuhei; Hasegawa, Masashi; Suzuki, Shuichi; Kato, Shin-Ichiro","A double-helical S,C-bridged tetraphenyl-<i>para</i>-phenylenediamine and its persistent radical cation.","Chemical communications (Cambridge, England)","2023","59","10","1301","1304","10.1039/d2cc06144a","","x-ray","0.71073","MoKα","","0.0371","0.0322","","","0.0749","0.0768","","","","","","1.028","","","","has coordinates","281314","2023-03-04","17:38:02",""
"7131297","7.713","0.002","13.434","0.004","19.831","0.006","90","","90","","90","","2054.8","1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","","Qiu, Dong; Liu, Huiyang; Sun, Shuai; Ni, Hongyan; Su, Yijin","Bromide-mediated, C2-selective, and oxygenative alkylation of pyridinium salts using alkenes and molecular oxygen.","Chemical communications (Cambridge, England)","2023","59","19","2807","2810","10.1039/d2cc06138d","","","0.71073","MoKα","","0.0504","0.0383","","","0.1087","0.1291","","","","","","1.001","","","","has coordinates","283043","2023-05-05","00:11:17",""
"7131401","14.4122","0.0014","12.1358","0.0012","5.6687","0.0006","90","","90","","90","","991.48","0.17","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H6 N8 O6 -","- C5 H6 N8 O6 -","- C20 H24 N32 O24 -","4","1","","Yadav, Abhishek Kumar; Jujam, Manojkumar; Ghule, Vikas D.; Dharavath, Srinivas","High-performing, insensitive and thermally stable energetic materials from zwitterionic <i>gem</i>-dinitromethyl substituted C-C bonded 1,2,4-triazole and 1,3,4-oxadiazole.","Chemical communications (Cambridge, England)","2023","59","29","4324","4327","10.1039/d3cc00615h","","","0.71073","MoKα","","0.0843","0.0548","","","0.099","0.1085","","","","","","1.118","","","","has coordinates","283010","2023-05-04","23:57:16",""
"7131412","15.8103","0.0013","23.9497","0.0019","5.7108","0.0005","90","","90","","90","","2162.4","0.3","110","","110","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H17 Cl6 I O4 S -","- C13 H17 Cl6 I O4 S -","- C52 H68 Cl24 I4 O16 S4 -","4","1","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.0692","0.0625","","","0.129","0.1314","","","","","","1.279","","","","has coordinates","283011","2023-05-04","23:58:26",""
"7131682","21.8214","0.0016","13.2329","0.001","20.7744","0.0016","90","","90","","90","","5998.8","0.8","299","2","299","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C58 H74 F12 N5 O -","- C58 H74 F12.2737 N5 O -","- C232 H296 F49.0948 N20 O4 -","4","1","","Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit","Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","59","48","7407","7410","10.1039/d3cc02032k","","","0.71073","MoKα","","0.1566","0.073","","","0.192","0.2574","","","","","","1.021","","","","has coordinates","284868","2023-07-05","09:10:40",""
"7131686","21.6302","0.0008","13.5934","0.0005","20.6884","0.0007","90","","90","","90","","6083","0.4","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H74 Cl F12 N5 O -","- C58 H72 Cl F12 N5 O -","- C232 H288 Cl4 F48 N20 O4 -","4","1","","Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit","Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.","Chemical communications (Cambridge, England)","2023","59","48","7407","7410","10.1039/d3cc02032k","","","0.71073","MoKα","","0.2095","0.0957","","","0.2255","0.2847","","","","","","0.997","","","","has coordinates","284868","2023-07-05","09:10:40",""
"7131693","7.5072","0.0008","23.008","0.003","7.4733","0.0006","90","","90","","90","","1290.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","Isatin","3J","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Paul, Aditya; Sengupta, Arunava; Yadav, Somnath","Visible-light driven acetoxylation and dioxygenation of indoles <i>via</i> electron donor-acceptor complexes.","Chemical communications (Cambridge, England)","2023","59","48","7455","7458","10.1039/d3cc01683h","","x-ray","0.71073","MoKα","","0.0592","0.0359","","","0.0657","0.0731","","","","","","0.975","","","","has coordinates","284866","2023-07-05","09:09:21",""
"7131831","17.2218","0.0007","4.0384","0.0002","22.4366","0.001","90","","90","","90","","1560.43","0.12","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H10 Br2 N4 S2 -","- C14 H10 Br2 N4 S2 -","- C56 H40 Br8 N16 S8 -","4","1","","Zhao, Yu-Qiang; Zhu, Liping; Lu, Jian-Mei; Yu, Le; Zhang, Lanyun; Zhou, Ying","New charge transfer-based organic room temperature phosphorescent trace doping systems.","Chemical communications (Cambridge, England)","2023","59","54","8396","8399","10.1039/d3cc02386a","","","0.71073","MoKα","","0.0661","0.0548","","","0.1542","0.1608","","","","","","1.133","","","","has coordinates","284777","2023-07-04","21:55:13",""
"7131965","12.2002","0.0011","36.485","0.004","13.2044","0.0015","90","","90","","90","","5877.6","1.1","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H20 B F30 P -","- C63 H20 B F30 P -","- C252 H80 B4 F120 P4 -","4","1","","Mandal, Dipendu; Qu, Zheng-wang; Grimme, Stefan; Stephan, Douglas W.","Electron-deficient cyclopropenium cations as Lewis acids in FLP chemistry","Chemical Communications","2023","","","","","10.1039/D3CC02684A","","","0.71073","MoKα","","0.0979","0.0668","","","0.1384","0.1542","","","","","","1.0564","","","","has coordinates","285406","2023-08-01","21:59:05",""
"7132004","24.3315","0.0002","10.2609","0.0001","11.2141","0.0001","90","","90","","90","","2799.75","0.04","110.05","0.1","110.05","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H39 Br N O4 P2 Re -","- C23 H39 Br N O4 P2 Re -","- C92 H156 Br4 N4 O16 P8 Re4 -","4","1","","Goodall, Joe C.; Sajjad, Muhammad Arif; Thompson, Emily A.; Page, Samuel J.; Kerrigan, Adam M.; Jenkins, Huw T.; Lynam, Jason Martin; Macgregor, Stuart Alan; Weller, Andrew S.","In Crystallo Lattice Adaptivity Triggered by Solid-Gas Reactions of Cationic Group 7 Pincer Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03201A","","x-ray","1.54184","CuKα","","0.0232","0.0227","","","0.0595","0.0598","","","","","","1.092","","","","has coordinates","285571","2023-08-07","21:55:47",""
"7132045","8.7856","0.0001","32.093","0.0003","5.2676","0.0001","90","","90","","90","","1485.23","0.04","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","chemical 1'","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Matsuo, Bianca; Kim, Saegun; Shreiber, Scott T.; Levitre, Guillaume; Li, Longbo; Crane, Erika A.; McClain, Edward J.; Voight, Eric A.; Molander, Gary A.","Diversifying chemical space of DNA-encoded libraries: synthesis of 2-oxa-1-azaspiro(bicyclo[3.2.0])heptanes on-DNA <i>via</i> visible light-mediated energy transfer catalysis.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03421f","","x-ray","1.54184","CuKα","","0.0316","0.0302","","","0.0755","0.0771","","","","","","1.05","","","","has coordinates","285849","2023-08-23","21:56:18",""
"7132169","11.693","0.0016","12.6184","0.0017","8.9005","0.0012","90","","90","","90","","1313.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","","0.71073","MoKα","","0.0443","0.0353","","","0.089","0.0955","","","","","","1.003","","","","has coordinates","286626","2023-10-02","21:56:00",""
"7132206","12.2934","0.0005","14.3475","0.0005","9.7444","0.0004","90","","90","","90","","1718.71","0.12","296","2","296.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 N O4 -","- C18 N O4 -","- C72 N4 O16 -","4","1","","Mondal, Swati Lekha; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin","Brønsted acid-catalyzed annulation reaction of hydroxamic acids: synthesis of cyclopentane-fused isoxazolidines and their benzilic amide rearrangement","Chemical Communications","2023","","","","","10.1039/D3CC03810F","","","0.71073","MoKα","","0.0755","0.0672","","","0.1701","0.1746","","","","","","1.6691","","","","has coordinates","286931","2023-10-12","22:00:46",""
"7132317","20.1171","0.0017","7.5762","0.0007","9.1129","0.0007","90","","90","","90","","1388.9","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","Chloropropamide Tolbutamide","","","- C10.91 H15.28 Cl0.54 N2 O3 S -","- C10.912 H15.28 Cl0.544 N2 O3 S -","- C43.648 H61.12 Cl2.176 N8 O12 S4 -","4","1","","Spoletti, Enrico; Verma, Vivek; Cappuccino, Chiara; Lusi, Matteo","Solid Solution Polymorphs afford two High-Soluble Co-Drug Forms of Tolbutamide and Chlorpropamide","Chemical Communications","2023","","","","","10.1039/D3CC04725C","","","0.71073","MoKα","","0.0426","0.0341","","","0.0869","0.0926","","","","","","1.094","","","","has coordinates,has disorder","287522","2023-11-10","23:08:29",""
"7132361","15.5963","0.0005","8.0239","0.0002","17.6239","0.0005","90","","90","","90","","2205.51","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H25 N O3 S -","- C26 H25 N O3 S -","- C104 H100 N4 O12 S4 -","4","1","","He, Jiwen; Li, Xiaohua; He, Qiuqin; Fan, Renhua","Cascade alkyl migration in 2-alkynylanilines for the synthesis of benzenoid ring multi-functionalized indoles.","Chemical communications (Cambridge, England)","2023","60","1","71","74","10.1039/d3cc04815b","","","1.34138","GaKα","","0.0336","0.0295","","","0.0668","0.0694","","","","","","1.038","","","","has coordinates","289324","2024-02-04","11:01:44",""
"7132611","6.744","0.002","11.212","0.002","9.487","0.002","90","0.03","90","0.03","90","0.03","717.3","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 N8 O2 -","- C4 H6 N8 O2 -","- C16 H24 N32 O8 -","4","1","","Kumar, Parasar; Kumar, Navaneet; Ghule, Vikas D.; Dharavath, Srinivas","Zwitterionic fused pyrazolo-triazole based high performing energetic materials.","Chemical communications (Cambridge, England)","2024","60","12","1646","1649","10.1039/d3cc05920k","","","0.71073","MoKα","","0.046","0.0377","","","0.0902","0.0956","","","","","","1.049","","","","has coordinates","290104","2024-03-04","19:54:48",""
"7132625","10.2787","0.0005","11.9147","0.0006","27.5592","0.0015","90","","90","","90","","3375.1","0.3","273.15","","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","SP-446","","- C40 H34 Cl2 N4 O4 -","- C40 H34 Cl2 N4 O4 -","- C160 H136 Cl8 N16 O16 -","4","1","","Yadav, Dharmendra K.; Tiwari, Sona; Senthil, Sathyapriya; Vechalapu, Sai Kumari; Duraisamy, Santhosh; Rawat, Viral; Rahman, Mohammed Isfahur; Khanna, Shweta; Allimuthu, Dharmaraja","Diazepam-based covalent modifiers of GPX4 induce ferroptosis in liver cancer cells.","Chemical communications (Cambridge, England)","2024","60","14","1928","1931","10.1039/d3cc06215e","","","0.71073","MoKα","","0.0427","0.0352","","","0.0809","0.0872","","","","","","1.0502","","","","has coordinates","290096","2024-03-04","19:52:57",""
"7132807","16.5657","0.0015","5.4295","0.0004","14.0697","0.0011","90","","90","","90","","1265.48","0.18","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Shinde, Jivan; Suresh, Sundaram; Kavala, Veerababurao; Yao, Ching-Fa","Pd(II)-catalyzed hydroarylations/hydroalkenylations of terminal alkynes: regioselective synthesis of allylic, homoallylic, and 1,3-diene systems.","Chemical communications (Cambridge, England)","2024","60","28","3790","3793","10.1039/d4cc00049h","","","0.71073","MoKα","","0.0701","0.0528","","","0.12","0.1313","","","","","","1.028","","","","has coordinates","290807","2024-04-04","22:27:18",""
"7132840","28.14","0.011","14.513","0.009","20.554","0.01","90","","90","","90","","8394","7","90","2","90","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C47 H20.5 Cl0.5 F16 N3 P Pd S -","- C47 H20.5 Cl0.5 F16 N3 P Pd S -","- C376 H164 Cl4 F128 N24 P8 Pd8 S8 -","8","2","","Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu","Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.","Chemical communications (Cambridge, England)","2024","60","31","4190","4193","10.1039/d4cc00806e","","","0.4136","Synchrotron","","0.0394","0.0364","","","0.0914","0.093","","","","","","1.017","","","","has coordinates","291540","2024-05-05","01:08:41",""
"7132959","12.4495","0.0002","20.4914","0.0004","5.0901","0.0001","90","","90","","90","","1298.52","0.04","113.15","","113.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H14 F N O -","- C17 H14 F N O -","- C68 H56 F4 N4 O4 -","4","1","","Liu, Hongxin; Tang, Tingyu; Li, Bin; Wang, Baiquan","Manganese(I)-Catalyzed Nucleophilic Addition of C(sp3)-H Bonds to Aldehydes","Chemical Communications","2024","","","","","10.1039/D4CC01338G","","x-ray","0.71073","MoKα","","0.0535","0.0488","","","0.1279","0.1326","","","","","","1.061","","","","has coordinates","291231","2024-04-16","22:04:00",""
"7150079","10.162","0.0008","21.4665","0.0017","5.435","0.0004","90","","90","","90","","1185.6","0.16","130","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H10 N2 O6 -","- C11 H10 N2 O6 -","- C44 H40 N8 O24 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.039","0.0375","","","0.0915","0.0924","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150168","8.471","0.001","11.811","0.002","16.531","0.003","90","","90","","90","","1653.9","0.5","296.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0606","","","","0.1894","","","","","","1.744","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150230","14.893","0.0004","18.055","0.0006","10.0567","0.0009","90","","90","","90","","2704.2","0.3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H34 Br Cl3 N4 O13 -","- C16 H32 Br Cl3 N4 O13 -","- C64 H128 Br4 Cl12 N16 O52 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1153","0.0922","","","0.1944","0.2047","","","","","","1.137","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150257","19.225","0.008","10.95","0.004","6.047","0.009","90","","90","","90","","1273","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Pesquet, Anthony; Daïch, Adam; Decroix, Bernard; Van Hijfte, Luc","Acid-catalysed formation of tricyclic N,S-acetals in imidazolinone series based on the use of the unprecedented N-acyliminium ion cascade reaction involving transposition, heterocyclisation and pi-cyclisation.","Organic & biomolecular chemistry","2005","3","21","3937","3947","10.1039/b508214e","","","0.71069","MoKα","","0.0614","0.0483","","","0.1457","0.154","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150288","8.418","0.003","13.169","0.009","15.523","0.013","90","","90","","90","","1721","2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","","- C18 H26 Se -","- C18 H26 Se -","- C72 H104 Se4 -","4","1","","Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo","Tetramethylcyclopentadienylselenium derivatives.","Organic & biomolecular chemistry","2005","3","21","3990","3995","10.1039/b510981g","","","1.5418","CuKα","","0.0302","0.0295","","","0.0741","0.0748","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150404","15.179","0.003","7.728","0.002","28.337","0.006","90","","90","","90","","3324","1.3","123","1","123","1","","","","","","","","4","P n a 21","P 2c -2n","33","RWX0315/Wilson/NW-G020/5107/25-9-98.","","","- C38 H51 N3 O2 -","- C37.5 H47 N2.5 O2 -","- C150 H188 N10 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine","Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides.","Organic & biomolecular chemistry","2006","4","3","455","461","10.1039/b514561a","","","0.71073","MoKα","","0.0524","0.0442","","","0.1178","0.1249","","","","","","1.033","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150421","7.942","0.0017","13.862","0.003","8.4623","0.0019","90","","90","","90","","931.6","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0522","0.045","","","0.1141","0.1186","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150622","27.786","0.002","4.5194","0.0008","17.0553","0.0004","90","","90","","90","","2141.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","aromatic amide","","","- C25 H20 N2 O7 -","- C25 H20 N2 O7 -","- C100 H80 N8 O28 -","4","1","","Prabhakaran, Panchami; Puranik, Vedavati G.; Chandran, Jima N.; Rajamohanan, P. R.; Hofmann, Hans-Jörg; Sanjayan, Gangadhar J.","Sterically controlled naphthalene homo-oligoamides with novel structural architectures","Organic & Biomolecular Chemistry","2009","7","11","2458","2465","10.1039/b822076j","","","0.71073","MoKα","","0.0497","0.035","","","0.0751","0.078","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150641","27.274","0.003","5.7146","0.0007","16.204","0.002","90","","90","","90","","2525.6","0.5","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C128 H96 F8 N8 O24 -","8","2","","Guo, Yong; Twamley, Brendan; Shreeve, Jean'ne M.","Pd-catalyzed arylation of silyl enol ethers of substituted α-fluoroketones","Organic & Biomolecular Chemistry","2009","7","8","1716","1722","10.1039/b900311h","","","0.71073","MoKα","","0.0637","0.0468","","","0.1052","0.115","","","","","","1.024","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7150646","11.836","0.002","16.17","0.003","12.621","0.003","90","","90","","90","","2415.5","0.8","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H34 N4 -","- C30 H34 N4 -","- C120 H136 N16 -","4","1","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","0.71073","MoKα","","0.0487","0.0428","","","0.0854","0.0875","","","","","","0.944","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150718","11.093","0.0005","13.4335","0.0005","14.472","0.0006","90","","90","","90","","2156.59","0.15","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H21 Cl O3 -","- C27 H21 Cl O3 -","- C108 H84 Cl4 O12 -","4","1","","Zhang, Xiaoxiang; Rao, Weidong; Chan, Sally; Chan, Philip Wai Hong","Iron(III) chloride-catalysed direct nucleophilic α-substitution of Morita-Baylis-Hillman alcohols with alcohols, arenes, 1,3-dicarbonyl compounds, and thiols","Organic & Biomolecular Chemistry","2009","7","20","4186","","10.1039/b908447a","","","0.71073","MoKα","","0.0424","0.0351","","","0.0917","0.1006","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150833","11.7777","0.0005","5.4798","0.0001","20.1905","0.0006","90","","90","","90","","1303.08","0.07","200","","200","","","","","","","","local","3","P n a 21","P 2c -2n","33","","","","- C16 H12 O6 -","- C16 H12 O6 -","- C64 H48 O24 -","4","1","","Pearson, Emma L.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Controlling cis/trans-selectivity in intramolecular Diels‒Alder reactions of benzo-tethered, ester linked 1,3,9-decatrienes","Organic & Biomolecular Chemistry","2008","6","3","513","522","10.1039/b716910h","","","0.71073","MoKα","","0.03","0.026","","0.0333","0.0312","0.0312","","","","","","1.1445","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150909","22.2791","0.0002","16.203","0.0001","4.98","","90","","90","","90","","1797.72","0.02","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","9-Benzyl-6-(2-(diethylcarbamoyl)cyclopropyl)purine","9-Benzyl-6-[2-(diethylcarbamoyl)cyclopropyl]purine","","- C20 H23 N5 O -","- C20 H23 N5 O -","- C80 H92 N20 O4 -","4","1","","Kuchař, Martin; Pohl, Radek; Klepetářová, Blanka; Votruba, Ivan; Hocek, Michal","Synthesis of substituted 6-cyclopropylpurine bases and nucleosides by cross-coupling reactions or cyclopropanations","Organic & Biomolecular Chemistry","2008","6","13","2377","2387","10.1039/b802833h","","x-ray","1.54184","CuKα","","0.0361","0.0296","","0.0402","0.0328","0.0328","","","","","","1.0836","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150928","13.851","0.003","4.8284","0.001","35.183","0.007","90","","90","","90","","2353","0.8","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","Methyl 4-(fur-2-yl)-6-trifluormethyl-salicylate","Methyl 4-(fur-2-yl)-6-trifluormethyl-salicylate","","- C13 H9 F3 O4 -","- C13 H9 F3 O4 -","- C104 H72 F24 O32 -","8","2","","Hussain, Ibrar; Riahi, Abdolmajid; Yawer, Mirza Arfan; Villinger, Alexander; Fischer, Christine; Görls, Helmar; Langer, Peter","One-pot synthesis of 6-(thien-2-yl)- and 6-(fur-2-yl)salicylates based on regioselective [3 + 3] cyclocondensations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes","Organic & Biomolecular Chemistry","2008","6","19","3542","3551","10.1039/b803472a","","","0.71073","MoKα","","0.1026","0.0711","","","0.1693","0.1907","","","","","","1.032","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150929","13.84","0.003","4.931","0.001","35.86","0.007","90","","90","","90","","2447.3","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","Methyl 4-(thien-2-yl)-6-trifluormethyl-salicylate","Methyl 4-(thien-2-yl)-6-trifluormethyl-salicylate","","- C13 H9 F3 O3 S -","- C13 H9 F3 O3 S -","- C104 H72 F24 O24 S8 -","8","2","","Hussain, Ibrar; Riahi, Abdolmajid; Yawer, Mirza Arfan; Villinger, Alexander; Fischer, Christine; Görls, Helmar; Langer, Peter","One-pot synthesis of 6-(thien-2-yl)- and 6-(fur-2-yl)salicylates based on regioselective [3 + 3] cyclocondensations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes","Organic & Biomolecular Chemistry","2008","6","19","3542","3551","10.1039/b803472a","","","0.71073","MoKα","","0.063","0.0526","","","0.1134","0.1202","","","","","","1.107","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150949","14.127","0.001","11.91","0.002","7.618","0.002","90","","90","","90","","1281.7","0.4","198","2","198","2","","","","","","","synthesis","4","P n a 21","P 2c -2n","33","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Forke, Ronny; Jäger, Anne; Knölker, Hans-Joachim","First total synthesis of clausine L and pityriazole, a metabolite of the human pathogenic yeast Malassezia furfur","Organic & Biomolecular Chemistry","2008","6","14","2481","2483","10.1039/b805451g","","x-ray","0.71073","MoKα","","0.0829","0.0464","","","0.094","0.1111","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151063","19.5903","0.0005","16.057","0.0002","6.075","0.0002","90","","90","","90","","1910.96","0.08","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","t-Butyl [3-hydroxy-3-(p-tolyl)-1-phenylpropyl)carbamate","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Tillman, A. Louise; Dixon, Darren J.","An enantioselective Brønsted acid catalyzed enamine Mannich reaction.","Organic & biomolecular chemistry","2007","5","4","606","609","10.1039/b616143j","","","0.71073","MoKα","","0.0489","0.0424","","","0.1099","0.1149","","","","","","1.185","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151086","16.939","0.003","12.274","0.002","8.5993","0.0015","90","","90","","90","","1787.9","0.5","423","2","423","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.0906","0.0579","","","0.1256","0.1411","","","","","","0.816","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151348","24.2176","0.0008","14.582","0.0005","14.204","0.0005","90","","90","","90","","5016","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","6a in paper","","","- C25 H28 Cl2 N2 O2 S -","- C25 H28 Cl2 N2 O2 S -","- C200 H224 Cl16 N16 O16 S8 -","8","2","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0688","0.0588","","","0.1529","0.1612","","","","","","1.066","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151409","12.419","0.001","10.721","0.001","9.853","0.001","90","","90","","90","","1311.9","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","","Jackson, Richard F. W.; Dunn, Sara F. C.; McCamley, Andrew; Clegg, William","Synthesis and crystal structures of 2-substituted-2-phenylsulfonyloxiranes: evidence for a generalised anomeric effect in 2-phenylsulfonyloxiranesElectronic supplementary information (ESI) available: PDB files of the crystal structures of compounds 5, 6b and 7. See http://www.rsc.org/suppdata/ob/b3/b301409f/","Organic & Biomolecular Chemistry","2003","1","14","2527","","10.1039/b301409f","","","1.54184","CuKα","","0.061","0.0605","","","0.16","0.1609","","","","","","1.09","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151556","26.365","0.001","12.614","0.001","12.585","0.003","90","","90","","90","","4185.4","1.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46.5 H59.75 N1.25 O4 -","- C46.486 H59.729 N1.243 O4 -","- C185.944 H238.916 N4.972 O16 -","4","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.089","0.073","","0.08","","0.078","","","1.133","","","1.204","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151560","25.6379","0.0012","9.2441","0.0004","12.2274","0.0006","90","","90","","90","","2897.9","0.2","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H40 Cl4 N8 O8 Zn2 -","- C16 H40 Cl4 N8 O8 Zn2 -","- C64 H160 Cl16 N32 O32 Zn8 -","4","1","","Gao, Jian; Reibenspies, Joseph H.; Martell, Arthur E.","Selective recognition of thymidylylthymidine (TpT) and antitumor effects of a macrocyclic dizinc(II) complex.","Organic & biomolecular chemistry","2003","1","23","4242","4247","10.1039/b308358f","","","0.71073","MoKα","","0.06","0.0498","","","0.1255","0.1382","","","","","","1.14","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151638","16.771","0.0016","7.1231","0.001","21.515","0.003","90","","90","","90","","2570.2","0.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 N S2 -","- C15 H11 N S2 -","- C120 H88 N8 S16 -","8","2","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.0826","0.0554","","","0.1307","0.148","","","","","","1.086","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151647","23.3925","0.0002","6.2169","0.0004","13.0456","0.0008","90","","90","","90","","1897.21","0.17","150","2","150","2","","","","","","","synthesized by the authors","3","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 -","- C12 H8 N2 -","- C96 H64 N16 -","8","2","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0893","0.0517","","","0.1121","0.1337","","","","","","1.068","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151674","8.971","0.0002","10.6189","0.0002","22.6185","0.0006","90","","90","","90","","2154.69","0.08","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H6 Br2 O4 -","- C10 H6 Br2 O4 -","- C80 H48 Br16 O32 -","8","2","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.0587","0.0462","","","0.1169","0.1354","","","","","","1.074","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151746","16.927","0.003","12.667","0.003","18.063","0.004","90","","90","","90","","3873","1.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H17 N2 O3 -","- C24 H17 N2 O3 -","- C192 H136 N16 O24 -","8","2","","Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi","Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.","Organic & biomolecular chemistry","2011","9","8","2702","2714","10.1039/c0ob00783h","","","0.71073","MoKα","","0.1151","0.057","","","0.1081","0.1233","","","","","","0.977","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151757","8.37","0.003","11","0.004","12.192","0.003","90","","90","","90","","1122.5","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H14 N2 O2 Se -","- C9 H14 N2 O2 Se -","- C36 H56 N8 O8 Se4 -","4","1","","Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K.","Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity.","Organic & biomolecular chemistry","2011","9","8","2992","2998","10.1039/c0ob00807a","","","0.71069","MoKα","","0.1054","0.04","","","0.0965","0.1178","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151877","8.1925","0.0003","16.7763","0.0008","21.6041","0.001","90","","90","","90","","2969.3","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H29 F3 N2 O3 S -","- C33 H29 F3 N2 O3 S -","- C132 H116 F12 N8 O12 S4 -","4","1","","Chaitanya, T. Krishna; Nagarajan, Rajagopal","Synthesis of functionalized ellipticinium and ellipticine derivatives via electrophilic cyclization","Organic & Biomolecular Chemistry","2011","9","12","4662","","10.1039/c1ob05258f","","","0.71073","MoKα","","0.0962","0.0607","","","0.139","0.1622","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151910","7.168","0.003","15.046","0.007","9.688","0.004","90","","90","","90","","1044.8","0.8","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei","One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.","Organic & biomolecular chemistry","2011","9","16","5802","5808","10.1039/c1ob05082f","","","0.71073","MoKα","","0.0612","0.0429","","","0.0879","0.0966","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7152081","18.6703","0.0005","10.3143","0.0003","25.8835","0.0006","90","","90","","90","","4984.4","0.2","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 Cl F12 N4 O4 S2 -","- C44 H51 Cl F12 N4 O4 S2 -","- C176 H204 Cl4 F48 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0922","0.0739","","","0.2217","0.2581","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152082","18.7203","0.0005","10.3816","0.0003","25.9329","0.0006","90","","90","","90","","5040","0.2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 Br F12 N4 O4 S2 -","- C44 H51 Br F12 N4 O4 S2 -","- C176 H204 Br4 F48 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0615","0.0527","","","0.1505","0.1623","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152083","18.8303","0.0005","10.4962","0.0003","26.058","0.0007","90","","90","","90","","5150.3","0.2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 F12 I N4 O4 S2 -","- C44 H51 F12 I N4 O4 S2 -","- C176 H204 F48 I4 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0556","0.044","","","0.1169","0.1272","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152253","19.837","0.001","15.2026","0.0008","6.3744","0.0004","90","","90","","90","","1922.35","0.18","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Saha, Pipas; Bhunia, Anup; Saikia, Anil K.","Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.","Organic & biomolecular chemistry","2012","10","12","2470","2481","10.1039/c2ob06832j","","","0.71073","MoKα","","0.0856","0.0677","","","0.1644","0.1735","","","","","","0.943","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152313","15.562","0.006","10.686","0.004","15.625","0.006","90","","90","","90","","2598.4","1.7","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","Propionyl-(5,5'6,6'-Tetramethyl-3,3'-di-tert-butyl-1,1-biphenyl)phosphite","4,8-di-tert-butyl-1,2,10,11-tetramethyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yl propionate","","- C27 H37 O4 P -","- C27 H37 O4 P -","- C108 H148 O16 P4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Phosphorus containing mixed anhydrides-their preparation, labile behaviour and potential routes to their stabilisation.","Organic & biomolecular chemistry","2012","10","18","3677","3688","10.1039/c2ob07164a","","","0.71075","MoKα","","0.1454","0.0919","","","0.2162","0.2483","","","","","","0.996","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152365","11.1369","0.0019","18.913","0.003","4.0311","0.0007","90","","90","","90","","849.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Amino-2,8-dimethyl-6<i>H</i>-pyrimido[1,2-<i>a</i>][1,3,5]triazin-6-one","","- C8 H9 N5 O -","- C8 H9 N5 O -","- C32 H36 N20 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0588","0.0527","","","0.1137","0.1169","","","","","","1.145","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152367","7.4179","0.0009","11.2238","0.0015","17.288","0.002","90","","90","","90","","1439.3","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 O -","- C14 H20 N6 O -","- C56 H80 N24 O4 -","4","1","","Sachdeva, Nikhil; Dolzhenko, Anton V.; Keung Chui, Wai","Regioselective synthesis of pyrimido[1,2-a][1,3,5]triazin-6-ones via reaction of 1-(6-oxo-1,6-dihydropyrimidin-2-yl)guanidines with triethylorthoacetate: observation of an unexpected rearrangement.","Organic & biomolecular chemistry","2012","10","23","4586","4596","10.1039/c2ob25195g","","","0.71073","MoKα","","0.0519","0.0478","","","0.1168","0.1193","","","","","","1.061","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152372","25.2489","0.0006","15.9776","0.0003","7.6958","0.0001","90","","90","","90","","3104.62","0.1","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C29 H46 O5 Si2 -","- C29 H46 O5 Si2 -","- C116 H184 O20 Si8 -","4","1","","Dubois, Sébastien; Rodier, Fabien; Blanc, Romain; Rahmani, Raphaël; Héran, Virginie; Thibonnet, Jérôme; Commeiras, Laurent; Parrain, Jean-Luc","Dramatic influence of the substitution of alkylidene-5H-furan-2-ones in Diels-Alder cycloadditions with o-quinonedimethide as diene partner: en route to the CDEF polycyclic ring system of lactonamycin.","Organic & biomolecular chemistry","2012","10","24","4712","4719","10.1039/c2ob25299f","","x-ray","0.71073","MoKα","","0.0765","0.054","","","0.1436","0.1683","","","","","","1.183","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152389","25.97","0.02","4.887","0.004","11.168","0.009","90","","90","","90","","1417","2","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi","Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.","Organic & biomolecular chemistry","2012","10","25","4943","4953","10.1039/c2ob25438g","","","0.7107","MoKα","","0.0532","0.0522","","","0.114","0.1145","","","","","","1","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152503","10.166","0.004","13.303","0.006","15.011","0.006","90","","90","","90","","2030.1","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","diethylboronpicoline-LiOMe-TMEDA","","","- C17 H35 B Li N3 O -","- C17 H35 B Li N3 O -","- C68 H140 B4 Li4 N12 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0446","0.041","","","0.1014","0.1044","","","","","","1.105","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152663","19.125","0.005","7.3751","0.0019","22.492","0.006","90","","90","","90","","3172.5","1.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C144 H128 N16 O24 -","8","2","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.0598","0.0521","","","0.1346","0.1442","","","","","","1.012","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152677","37.471","0.004","23.257","0.003","23.235","0.003","90","","90","","90","","20248","4","100","2","100","2","","","","","","","Jenny Hiscock","5","P n a 21","P 2c -2n","33","","","","- C160 H354 N18 O46 P8 -","- C160 H330 N18 O46 P8 -","- C640 H1320 N72 O184 P32 -","4","1","","Hiscock, Jennifer R.; Gale, Philip A.; Lalaoui, Noémie; Light, Mark E.; Wells, Neil J.","Benzimidazole-based anion receptors exhibiting selectivity for lactate over pyruvate.","Organic & biomolecular chemistry","2012","10","38","7780","7788","10.1039/c2ob26299a","","","0.71075","MoKα","","0.1476","0.1207","","","0.313","0.3509","","","","","","1.257","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152681","11.756","","14.575","","11.52","","90","","90","","90","","1973.88","","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 Br O5 -","- C22 H17 Br O5 -","- C88 H68 Br4 O20 -","4","1","","Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing","DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.","Organic & biomolecular chemistry","2012","10","38","7739","7746","10.1039/c2ob26300a","","","0.71073","MoKα","","0.092","0.0394","","","0.0809","0.0971","","","","","","0.986","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152749","20.8667","0.0004","5.2047","0.0001","26.1797","0.0005","90","","90","","90","","2843.24","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","","Hempel, Christian; Weckenmann, Nicole M.; Maichle-Moessmer, C; Nachtsheim, Boris J.","A hypervalent iodine-mediated spirocyclization of 2-(4-hydroxybenzamido)acrylates - unexpected formation of δ-spirolactones.","Organic & biomolecular chemistry","2012","10","47","9325","9329","10.1039/c2ob26815a","","","1.54178","CuKα","","0.0333","0.0317","","","0.0811","0.0823","","","","","","1.055","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7153068","13.5092","0.0005","8.1592","0.0003","19.6436","0.0008","90","","90","","90","","2165.2","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","t2-132","","","- C25 H22 F N5 O2 -","- C25 H22 F N5 O2 -","- C100 H88 F4 N20 O8 -","4","1","","Gunawan, Steven; Hulme, Christopher","Bifunctional building blocks in the Ugi-azide condensation reaction: a general strategy toward exploration of new molecular diversity.","Organic & biomolecular chemistry","2013","11","36","6036","6046","10.1039/c3ob40900g","","","0.71073","MoKα","","0.0431","0.0356","","","0.0835","0.0879","","","","","","1.024","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153077","11.7899","0.0006","15.768","0.0007","15.298","0.0008","90","","90","","90","","2843.9","0.2","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","methyl 6-methyl-2-(6-methylpyridin-2-ylcarbamoyl)nicotinate","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","2","","Gottschalk, Sven; Engelmann, Jörn; Rolla, Gabriele A.; Botta, Mauro; Parker, David; Mishra, Anurag","Comparative in vitro studies of MR imaging probes for metabotropic glutamate subtype-5 receptor targeting.","Organic & biomolecular chemistry","2013","11","36","6131","6141","10.1039/c3ob41297k","","","0.71073","MoKα","","0.0583","0.0422","","","0.1025","0.1198","","","","","","1.068","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153188","11.6106","0.0002","12.5495","0.0002","18.7424","0.0004","90","","90","","90","","2730.9","0.09","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C33 H30 O6 -","- C33 H30 O6 -","- C132 H120 O24 -","4","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0539","0.053","","","0.146","0.147","","","","","","1.028","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153235","15.4076","0.0003","12.9924","0.0004","9.38","0.0003","90","","90","","90","","1877.7","0.09","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 Cl N O2 S -","- C19 H28 Cl N O2 S -","- C76 H112 Cl4 N4 O8 S4 -","4","1","","Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.","A detailed investigation of the aza-Prins reaction.","Organic & biomolecular chemistry","2010","8","5","1064","1080","10.1039/b915797b","","","0.71073","MoKα","","0.0743","0.0699","","","0.1726","0.1761","","","","","","1.074","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153293","16.419","0.003","12.458","0.003","10.52","0.002","90","","90","","90","","2151.8","0.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H28 F3 N3 O3 S -","- C17 H28 F3 N3 O3 S -","- C68 H112 F12 N12 O12 S4 -","4","1","","Li, Dongzhen; Guang, Jie; Zhang, Wen-Xiong; Wang, Yang; Xi, Zhenfeng","Zn(OTf)(2)-catalyzed addition of amines to carbodiimides: efficient synthesis of guanidines and unpredicted formation of Zn-N amido species.","Organic & biomolecular chemistry","2010","8","8","1816","1820","10.1039/b923249b","","","0.71073","MoKα","","0.0482","0.0441","","","0.0945","0.0977","","","","","","1.082","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153329","9.4894","0.0018","27.726","0.005","9.0631","0.0017","90","","90","","90","","2384.5","0.8","200","","200","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki","Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives.","Organic & biomolecular chemistry","2010","8","9","2174","2179","10.1039/c000179a","","","0.71073","MoKα","","0.0487","0.0371","","","0.0807","0.086","","","","","","1.014","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153381","16.742","0.0003","12.498","0.0004","12.076","0.0004","90","","90","","90","","2526.8","0.12","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","rhenium cyclohexanol ester","rhenium cyclohexanol ester","","- C25 H23 B F4 N3 O5 Re -","- C25 H23 B F4 N3 O5 Re -","- C100 H92 B4 F16 N12 O20 Re4 -","4","1","","Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P.","Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments.","Organic & biomolecular chemistry","2010","8","17","3888","3901","10.1039/c004610h","","","0.71073","MoKα","","0.0505","0.0439","","","0.0928","0.0965","","","","","","1.113","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153565","23.252","0.003","8.8725","0.001","16.3422","0.0018","90","","90","","90","","3371.5","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H37 Cl3 N2 S -","- C37 H37 Cl3 N2 S -","- C148 H148 Cl12 N8 S4 -","4","1","","Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M.","Synthesis, structural characterization and reactivity of heteroazuliporphyrins.","Organic & biomolecular chemistry","2014","12","2","316","329","10.1039/c3ob41992d","","x-ray","0.71073","MoKα","","0.0861","0.0537","","","","0.1317","","","","","","1.017","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153644","11.5778","0.001","19.919","0.002","15.6456","0.0014","90","","90","","90","","3608.2","0.6","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H32 Br2 Cl2 O4 -","- C43 H32 Br2 Cl2 O4 -","- C172 H128 Br8 Cl8 O16 -","4","1","","Fan, Xing-Wen; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity.","Organic & biomolecular chemistry","2014","12","1","123","131","10.1039/c3ob41656a","","","0.71075","MoKα","","0.038","0.0264","","","0.0508","0.0531","","","","","","0.875","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153725","35.612","0.003","8.829","0.001","11.287","0.001","90","","90","","90","","3548.8","0.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-benzyl-10,10-diethyl-6,8-dioxo-6,7,8,10-tetrahydro-1H-imidazo [2',1:3,4][1,4,2]diazaborolo[1,5-c]pyrimidin-4-ium-10-uide","","- C18 H21 B N4 O2 -","- C18 H21 B N4 O2 -","- C144 H168 B8 N32 O16 -","8","2","","Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas","Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil.","Organic & biomolecular chemistry","2014","12","17","2737","2744","10.1039/c3ob42462f","","","0.71073","MoKα","","0.0624","0.0505","","","0.112","0.1174","","","","","","1.12","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153737","6.3212","0.0016","7.4318","0.0019","33.967","0.009","90","","90","","90","","1595.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0939","0.0478","","","0.0928","0.1132","","","","","","1","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153938","19.6835","0.0002","8.2719","0.0001","31.373","0.0003","90","","90","","90","","5108.15","0.09","290","2","290","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H36 Cl N2 Ni P -","- C26 H36 Cl N2 Ni P -","- C208 H288 Cl8 N16 Ni8 P8 -","8","2","","Wu, Dan; Wang, Zhong-Xia","P,N,N-Pincer nickel-catalyzed cross-coupling of aryl fluorides and chlorides.","Organic & biomolecular chemistry","2014","12","33","6414","6424","10.1039/c4ob01041h","","","1.54184","CuKα","","0.0326","0.0311","","","0.084","0.0856","","","","","","1.033","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153980","20.849","0.004","6.6532","0.0012","15.874","0.003","90","","90","","90","","2201.9","0.7","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","4,4'-bis(Bpin)-2,2'-bipyridine","","- C22 H30 B2 N2 O4 -","- C22 H30 B2 N2 O4 -","- C88 H120 B8 N8 O16 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.1096","0.0693","","","0.1501","0.1724","","","","","","1.029","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154489","8.6637","0.0007","15.5478","0.0012","11.0472","0.0009","90","","90","","90","","1488.1","0.2","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","Reddy, B. V. Subba; Someswarao, B.; Prudhviraju, N.; Reddy, B. Jagan Mohan; Sridhar, B.; Kumar, S. Kiran","An iodine catalyzed metal free domino process for the stereoselective synthesis of oxygen bridged bicyclic ethers.","Organic & biomolecular chemistry","2015","13","24","6737","6741","10.1039/c5ob00518c","","","0.71073","MoKα","","0.0509","0.0489","","","0.1088","0.1099","","","","","","1.263","","","","has coordinates","143750","2020-10-21","18:00:00",""
"7154568","9.8293","0.0005","10.139","0.0005","15.9153","0.0007","90","","90","","90","","1586.11","0.13","150","2","150","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N S4 Ti -","- C15 H15 N S4 Ti -","- C60 H60 N4 S16 Ti4 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0271","0.0259","","","0.0663","0.0676","","","","","","0.722","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154590","24.909","0.002","9.2315","0.0008","6.9138","0.0006","90","","90","","90","","1589.8","0.2","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Subba Reddy, B. V.; Gopal Reddy, S.; Durgaprasad, M.; Bhadra, Manika Pal; Sridhar, B.","Domino Prins/pinacol reaction for the stereoselective synthesis of spiro[pyran-4,4'-quinoline]-2',3'-dione derivatives.","Organic & biomolecular chemistry","2015","13","32","8729","8733","10.1039/c5ob01077b","","","0.71073","MoKα","","0.0427","0.0404","","","0.1063","0.1087","","","","","","1.04","","","","has coordinates","153283","2020-10-21","18:00:00",""
"7154648","18.6725","0.0014","9.6689","0.0007","19.3848","0.0014","90","","90","","90","","3499.8","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H14 Cl N O3 -","- C21 H14 Cl N O3 -","- C168 H112 Cl8 N8 O24 -","8","2","","Sun, Jinwei; Wang, Fuyao; Shen, Yongmiao; Zhi, Huizhen; Wu, Hui; Liu, Yun","Palladium-catalyzed direct and regioselective C-H acyloxylation of indolizines.","Organic & biomolecular chemistry","2015","13","40","10236","10243","10.1039/c5ob01359c","","","0.71073","MoKα","","0.046","0.04","","","0.1021","0.1088","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154682","7.5806","0.0003","14.495","0.0005","6.3109","0.0002","90","","90","","90","","693.45","0.04","132","2","132","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H5 N5 S -","- C5 H5 N5 S -","- C20 H20 N20 S4 -","4","1","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0292","0.0261","","","0.0624","0.0641","","","","","","1.065","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154736","10.3759","0.0006","5.9408","0.0003","37.263","0.003","90","","90","","90","","2296.9","0.3","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H28 N12 -","- C22 H28 N12 -","- C88 H112 N48 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.0589","0.0496","","","0.1208","0.1286","","","","","","1.041","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7154743","18.861","0.001","7.193","0.0003","13.7442","0.0006","90","","90","","90","","1864.64","0.15","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H28 Cl N O -","- C21 H28 Cl N O -","- C84 H112 Cl4 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0332","0.03","","","0.0691","0.0711","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154812","16.2077","0.0003","8.43855","0.00016","12.5611","0.0003","90","","90","","90","","1717.98","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H23 O P -","- C20 H23 O P -","- C80 H92 O4 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Synthesis of 1,4-dihydrophosphinoline 1-oxides by acid-promoted cyclization of 1-(diphenylphosphoryl)allenes.","Organic & biomolecular chemistry","2016","14","4","1370","1381","10.1039/c5ob02143j","","","1.54184","CuKα","","0.0538","0.0535","","","0.1355","0.136","","","","","","1.091","","","","has coordinates","176151","2020-10-21","18:00:00",""
"7154903","24.4271","0.0014","3.7892","0.0003","14.3031","0.0007","90","","90","","90","","1323.88","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-formylphenyl)-2-naphthamide","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","","0.71073","MoKα","","0.0457","0.0372","","","0.0934","0.097","","","","","","1.06","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154944","11.137","0.003","20.633","0.005","8.734","0.002","90","","90","","90","","2007","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Sarkar, Rajib; Mukhopadhyay, Chhanda","Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.","Organic & biomolecular chemistry","2016","14","9","2706","2715","10.1039/c5ob02655e","","","0.71073","MoKα","","0.0853","0.0558","","","0.1346","0.152","","","","","","1.01","","","","has coordinates","177928","2020-10-21","18:00:00",""
"7155001","13.9018","0.0004","17.531","0.0004","9.7328","0.0002","90","","90","","90","","2372","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C120 H100 N4 O12 S4 -","4","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","1.54184","CuKα","","0.0343","0.0307","","","0.0766","0.0797","","","","","","1.05","","","","has coordinates","182785","2020-10-21","18:00:00",""
"7155057","7.3173","0.0002","15.5645","0.0004","13.0802","0.0003","90","","90","","90","","1489.71","0.07","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","","0.71073","MoKα","","0.03","0.0294","","","0.0788","0.0795","","","","","","1.058","","","","has coordinates","182787","2020-10-21","18:00:00",""
"7155216","18.4725","0.0003","8.3873","0.0001","19.5557","0.0004","90","","90","","90","","3029.85","0.09","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H45 Br Cl N5 O -","- C28 H45 Br Cl N5 O -","- C112 H180 Br4 Cl4 N20 O4 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0436","0.0372","","","0.0987","0.1068","","","","","","1.047","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155367","16.3439","0.0005","5.9484","0.0002","12.9762","0.0005","90","","90","","90","","1261.55","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias","Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.","Organic & biomolecular chemistry","2016","14","47","11279","11288","10.1039/c6ob02221a","","x-ray","1.54184","CuKα","","0.0376","0.0326","","","0.0781","0.082","","","","","","1.046","","","","has coordinates","190273","2020-10-21","18:00:00",""
"7155455","19.746","0.008","11.173","0.004","9.393","0.004","90","","90","","90","","2072.3","1.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.","Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.","Organic & biomolecular chemistry","2017","15","6","1484","1494","10.1039/c6ob02618d","","","0.71073","MoKα","","0.0845","0.0461","","","0.0799","0.0932","","","","","","1.045","","","","has coordinates","193884","2020-10-21","18:00:00",""
"7155464","13.4796","0.0007","23.9065","0.0012","6.3744","0.0003","90","","90","","90","","2054.15","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-((R)-phenyl((R)-2-phenylpyrrolidin-1-yl)methyl)naphthalen-2-ol","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","","Mahato, Sujit; Jana, Chandan K.","Iterative direct C(sp(3))-H functionalization of amines: diastereoselective divergent syntheses of α,α'-disubstituted alicyclic amines.","Organic & biomolecular chemistry","2017","15","7","1655","1660","10.1039/c6ob02257j","","","0.71073","MoKα","","0.0592","0.0463","","","0.0771","0.0825","","","","","","1.127","","","","has coordinates","193900","2020-10-21","18:00:00",""
"7155568","14.32966","0.00013","8.77119","0.00008","14.61018","0.00013","90","","90","","90","","1836.33","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","2","","Lebel, Helene; Mamani Laparra, Laura; Khalifa, Maroua; Trudel, Carl; Audubert, Clément; Szponarski, Mathieu; Dicaire-Leduc, Cédric; Azek, Emna; Ernzerhof, Matthias","Synthesis of Oxazolidinones: Rhodium-Catalyzed C‒H Amination of N-Mesyloxycarbamates.","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00378A","","x-ray","1.54178","CuKα","","0.0281","0.0279","","","0.0738","0.0742","","","","","","1.061","","","","has coordinates","195279","2020-10-21","18:00:00",""
"7155643","18.6519","0.0009","5.6223","0.0003","27.0706","0.0013","90","","90","","90","","2838.8","0.2","180","","180","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(2-(4-bromo-1H-pyrazol-1-yl)-1,1,2,2-tetrafluoroethyl)-4-phenyl-1H-1,2,3-triazole","","- C13 H8 Br F4 N5 -","- C13 H8 Br F4 N5 -","- C104 H64 Br8 F32 N40 -","8","2","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.04","0.0305","","0.0434","0.0303","0.0303","","","","","","1.0981","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155665","14.8634","0.0009","9.0465","0.0006","16.6597","0.0013","90","","90","","90","","2240.1","0.3","169.9","","169.9","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","2","","Wu, Zi-Jun; Huang, Kenneth L.; Huang, Zhi-Zhen","A cascade C‒H functionalization/cyclization reaction of N-arylpyridin-2-amines with α,β-unsaturated aldehydes for the synthesis of dihydroquinolinone derivatives under rhodium catalysis","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00743D","","","0.71073","MoKα","","0.0499","0.0391","","","0.0886","0.0969","","","","","","1.035","","","","has coordinates","197129","2020-10-21","18:00:00",""
"7155670","10.558","0.002","16.971","0.004","8.182","0.003","90","","90","","90","","1466","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H12 N2 O5 -","- C15 H12 N2 O5 -","- C60 H48 N8 O20 -","4","1","","Zhang, Huaiyuan; Su, Yingpeng; Wang, Ke-Hu; Huang, Danfeng; Li, Jun; Hu, Yulai","Synthesis of N-Acetoxy-N-arylamides via Diacetoxyiodobenzene Promoted Double Acylation Reaction of Hydroxylamines with Aldehydes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00855D","","x-ray","1.54184","CuKα","","0.1024","0.0564","","","0.1397","0.1872","","","","","","0.976","","","","has coordinates","197641","2020-10-21","18:00:00",""
"7155785","13.0145","0.0003","7.79931","0.00017","10.8094","0.0003","90","","90","","90","","1097.2","0.05","150","2","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl (r,s)-1-acetylpyrrolidine-2,5-dicarboxylate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","Kubyshkin, Vladimir; Budisa, Nediljko","Amide rotation trajectories probed by symmetry","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01421J","","x-ray","1.54184","CuKα","","0.0269","0.0257","","","0.0626","0.0632","","","","","","1.019","","","","has coordinates","199037","2020-10-21","18:00:00",""
"7155824","21.9302","0.0015","8.3467","0.0006","26.7797","0.0014","90","","90","","90","","4901.9","0.5","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C50 H69 N7 O2 S2 -","- C50 H69 N7 O2 S2 -","- C200 H276 N28 O8 S8 -","4","1","","Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte","Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01704A","","","1.54187","CuKα","","0.0723","0.059","","","0.1399","0.1535","","","","","","1.035","","","","has coordinates","199765","2020-10-21","18:00:00",""
"7155957","7.1025","0.0004","17.9372","0.0015","11.9529","0.0009","90","","90","","90","","1522.79","0.19","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(2-(2,4-dioxo-2H-benzo[d][1,3]oxazin-1(4H)-yl)ethyl)-N,N-dimethylethynaminium bromide","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C60 H68 Br4 N8 O12 -","4","1","","Fessler, Adam B.; Garmon, Corey B.; Heavey, Thomas; Fowler, Anthony John; Ogle, Craig","Water-soluble and UV traceable isatoic anhydride-based reagents for bioconjugation","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02377D","","","1.54184","CuKα","","0.064","0.0469","","","0.1055","0.117","","","","","","1.061","","","","has coordinates","202886","2020-10-21","18:00:00",""
"7156275","11.8735","0.0003","18.6709","0.0004","11.878","0.0003","90","","90","","90","","2633.22","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H27 N3 O4 S -","- C31 H27 N3 O4 S -","- C124 H108 N12 O16 S4 -","4","1","","de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.","Organic & biomolecular chemistry","2018","16","26","4778","4783","10.1039/c8ob01195h","","x-ray","0.71073","MoKα","","0.0315","0.0295","","","0.0712","0.0723","","","","","","1.038","","","","has coordinates","230698","2020-10-21","18:00:00",""
"7156320","11.4515","0.0006","4.9051","0.0003","39.555","0.002","90","","90","","90","","2221.8","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3,4,5,6-Pentafluoro-4-[4-[(4-hexyloxyphenyl)ethynyl]phenylethynyl]benzene","","- C28 H21 F5 O -","- C28 H21 F5 O -","- C112 H84 F20 O4 -","4","1","","Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu","Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.","Organic & biomolecular chemistry","2018","16","31","5609","5617","10.1039/c8ob01497c","","","0.71073","MoKα","","0.0456","0.0404","","","0.0876","0.0908","","","","","","1.048","","","","has coordinates","230812","2020-10-21","18:00:00",""
"7156335","19.409","0.011","22.804","0.014","7.899","0.005","90","","90","","90","","3496","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C144 H168 N8 O32 S8 -","8","2","","Devi, Runjun; Das, Jonali; Sarma, Bipul; Das, Sajal Kumar","Phenolate-induced intramolecular ring-opening cyclization of N-tosylaziridines: access to functionalized benzoxacycles.","Organic & biomolecular chemistry","2018","16","32","5846","5858","10.1039/c8ob01143e","","","0.71073","MoKα","","0.2092","0.0691","","","0.1368","0.1922","","","","","","0.935","","","","has coordinates","230633","2020-10-21","18:00:00",""
"7156425","11.4816","0.0008","12.2451","0.0006","16.6439","0.0009","90","","90","","90","","2340","0.2","292.64","0.1","292.64","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 N4 O Si -","- C24 H28 N4 O Si -","- C96 H112 N16 O4 Si4 -","4","1","","Xie, Ming-Sheng; Cheng, Xuan; Chen, Yang-Guang; Wu, Xiao-Xia; Qu, Gui-Rong; Guo, Hai-Ming","Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation.","Organic & biomolecular chemistry","2018","16","38","6890","6894","10.1039/c8ob02089b","","x-ray","0.71073","MoKα","","0.0538","0.038","","","0.085","0.0911","","","","","","1.041","","","","has coordinates","230870","2020-10-21","18:00:00",""
"7156435","10.1019","0.0017","9.4796","0.0016","9.9375","0.0017","90","","90","","90","","951.6","0.3","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0415","0.0378","","","0.0851","0.0865","","","","","","1.035","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156478","7.6982","0.0005","12.0382","0.0007","17.5134","0.0012","90","","90","","90","","1623.01","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H16 O S -","- C21 H16 O S -","- C84 H64 O4 S4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0566","0.0508","","","0.1173","0.1205","","","","","","1.042","","","","has coordinates,has disorder","230687","2020-10-21","18:00:00",""
"7156479","7.7514","0.0001","12.0257","0.0002","17.7094","0.0003","90","","90","","90","","1650.8","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0747","0.0756","","","","","","1.06","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156556","7.979","0.003","19.9763","0.0013","13.149","0.004","90","","90","","90","","2095.8","1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 O2 S -","- C26 H20 N2 O2 S -","- C104 H80 N8 O8 S4 -","4","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.","Organic & biomolecular chemistry","2018","16","46","9003","9010","10.1039/c8ob02031k","","","0.71073","MoKα","","0.122","0.0533","","","0.0967","0.1158","","","","","","0.967","","","","has coordinates","230746","2020-10-21","18:00:00",""
"7156584","21.5416","0.0013","5.972","0.0004","15.4401","0.0015","90","","90","","90","","1986.3","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H44 N12 O4 -","- C44 H44 N12 O4 -","- C88 H88 N24 O8 -","2","0.5","","Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.","Organic & biomolecular chemistry","2018","16","48","9420","9429","10.1039/c8ob02644k","","","0.7107","MoKα","","0.11","0.0482","","","0.078","0.0984","","","","","","1.001","","","","has coordinates","230773","2020-10-21","18:00:00",""
"7156749","12.6579","0.0007","19.8384","0.0011","5.6765","0.0003","90","","90","","90","","1425.44","0.13","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H16 -","- C21 H16 -","- C84 H64 -","4","1","","Mato, Mauro; Martín-Torres, Inmaculada; Herlé, Bart; Echavarren, Antonio M.","Cyclopropane-alkene metathesis by gold(i)-catalyzed decarbenation of persistent cyclopropanes.","Organic & biomolecular chemistry","2019","17","17","4216","4219","10.1039/c9ob00359b","","","0.71073","MoKα","","0.0475","0.0407","","","0.1078","0.1152","","","","","","1.055","","","","has coordinates","225136","2020-10-21","18:00:00",""
"7156776","23.736","0.004","5.9771","0.0006","21.99","0.003","90","","90","","90","","3119.8","0.7","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N O -","- C15 H9 N O -","- C180 H108 N12 O12 -","12","3","","Patil, Manoj D.; Liu, Rai-Shung","Direct access to benzofuro[2,3-b]quinoline and 6H-chromeno[3,4-b]quinoline cores through gold-catalyzed annulation of anthranils with arenoxyethynes and aryl propargyl ethers.","Organic & biomolecular chemistry","2019","17","18","4452","4455","10.1039/c9ob00468h","","","0.71073","MoKα","","0.2074","0.082","","","0.1809","0.2602","","","","","","1.013","","","","has coordinates,has disorder","225246","2020-10-21","18:00:00",""
"7156840","19.549","0.0016","9.8719","0.0008","10.8488","0.0008","90","","90","","90","","2093.7","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 I2 O P -","- C22 H19 I2 O P -","- C88 H76 I8 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0351","0.0347","","","0.1018","0.1021","","","","","","1.123","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156897","17.467","0.004","9.736","0.002","14.482","0.003","90","","90","","90","","2462.8","0.9","125","2","125","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C108 H156 B4 N8 -","4","1","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.0681","0.044","","","0.0817","0.0914","","","","","","1.029","","","","has coordinates,has disorder","225175","2020-10-21","18:00:00",""
"7156899","17.3954","0.0017","9.9115","0.001","14.4462","0.0014","90","","90","","90","","2490.7","0.4","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H38 B F N2 -","- C27 H38 B F N2 -","- C108 H152 B4 F4 N8 -","4","1","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.0354","0.0324","","","0.0835","0.0857","","","","","","1.041","","","","has coordinates,has disorder","225175","2020-10-21","18:00:00",""
"7156901","19.185","0.002","5.7454","0.0007","29.323","0.003","90","","90","","90","","3232.1","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C152 H152 Br8 O16 -","8","2","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.096","0.0645","","","0.148","0.1637","","","","","","1.034","","","","has coordinates","225173","2020-10-21","18:00:00",""
"7157036","13.387","0.0008","12.8591","0.0008","12.5553","0.0008","90","","90","","90","","2161.3","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Magyar, Christina L.; Wall, Tyler J.; Davies, Steven B.; Campbell, Molly V.; Barna, Haven A.; Smith, Sydney R.; Savich, Christopher J.; Mosey, R. Adam","Triflic anhydride mediated synthesis of 3,4-dihydroquinazolines: a three-component one-pot tandem procedure.","Organic & biomolecular chemistry","2019","17","34","7995","8000","10.1039/c9ob01596e","","","0.71073","MoKα","","0.0478","0.04","","","0.0967","0.1035","","","","","","1.055","","","","has coordinates","225281","2020-10-21","18:00:00",""
"7157107","44.64","0.002","6.5823","0.0003","11.7225","0.0007","90","","90","","90","","3444.5","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H46 B2 O4 Se2 Si2 -","- C26 H46 B2 O4 Se2 Si2 -","- C104 H184 B8 O16 Se8 Si8 -","4","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","x-ray","0.71073","MoKα","","0.0727","0.0524","","","0.1193","0.1271","","","","","","1.032","","","","has coordinates","225115","2020-10-21","18:00:00",""
"7157174","10.0547","0.0013","19.198","0.003","8.7595","0.0013","90","","90","","90","","1690.8","0.4","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng","Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01868A","","","0.71073","MoKα","","0.0459","0.0393","","","0.0974","0.1035","","","","","","1.032","","","","has coordinates","220582","2020-10-21","18:00:00",""
"7157250","9.914","0.003","12.666","0.005","10.006","0.003","90","","90","","90","","1256.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Das, Arup Jyoti; Borgohain, Hemi; Sarma, Bipul; Das, Sajal Kumar","Switching of regioselectivity in base-mediated diastereoselective annulation of 2,3-epoxy tosylates and their N-tosylaziridine analogs with 2-mercaptobenzimidazole.","Organic & biomolecular chemistry","2020","18","3","441","449","10.1039/c9ob02454a","","","0.71073","MoKα","","0.2005","0.0627","","","0.097","0.1233","","","","","","1.056","","","","has coordinates","247825","2020-10-21","18:00:00",""
"7157336","18.0169","0.0004","19.1954","0.0005","9.2687","0.0002","90","","90","","90","","3205.5","0.13","173","0.1","173","0.1","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C31 H34 B Cl2 Co F4 N P S -","- C31 H34 B Cl2 Co F4 N P S -","- C124 H136 B4 Cl8 Co4 F16 N4 P4 S4 -","4","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0608","0.052","","","0.1146","0.1241","","","","","","1.107","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7157512","27.604","0.002","7.7285","0.0006","5.8633","0.0005","90","","90","","90","","1250.86","0.17","170","2","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N S2 -","- C14 H11 N S2 -","- C56 H44 N4 S8 -","4","1","","Wang, Dungai; Liang, Xiao; Xiong, Mingteng; Zhu, Heping; Zhou, Yifeng; Pan, Yuanjiang","Synthesis of unsymmetrical disulfides via PPh<sub>3</sub>-mediated reductive coupling of thiophenols with sulfonyl chlorides.","Organic & biomolecular chemistry","2020","18","23","4447","4451","10.1039/d0ob00804d","","","0.71073","MoKα","","0.0319","0.0293","","","0.0754","0.0773","","","","","","1.07","","","","has coordinates","257925","2020-10-21","18:00:00",""
"7157561","19.4194","0.0006","6.3668","0.0002","42.5242","0.0013","90","","90","","90","","5257.7","0.3","110","1","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H32 F2 O2 -","- C33 H32 F2 O2 -","- C264 H256 F16 O16 -","8","2","","Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.","Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.","Organic & biomolecular chemistry","2020","18","29","5625","5638","10.1039/d0ob01228a","","","1.54186","CuKα","","0.0995","0.0612","","","0.1448","0.1611","","","","","","0.874","","","","has coordinates","255080","2020-10-21","18:00:00",""
"7157699","20.7442","0.0006","12.396","0.0003","7.5295","0.0002","90","","90","","90","","1936.17","0.09","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H21 Cl -","- C26 H21 Cl -","- C104 H84 Cl4 -","4","1","","Wei, Hao-Zhao; Li, Quan-Zhe; Wei, Yin; Shi, Min","Rapid construction of cyclopenta[<i>b</i>]naphthalene frameworks from propargylic alcohol tethered methylenecyclopropanes.","Organic & biomolecular chemistry","2020","18","37","7396","7400","10.1039/d0ob01732a","","","0.71073","MoKα","","0.0384","0.0318","","","0.0795","0.0852","","","","","","1.038","","","","has coordinates","258949","2020-11-06","13:07:40",""
"7157713","7.6762","0.0001","12.3159","0.0002","17.1409","0.0003","90","","90","","90","","1620.49","0.04","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","isoindoloquinazolinone","ethyl 12-hydroxy-4-methyl-10-oxo-10,12-dihydroisoindolo[1,2-b]quinazoline-12-carboxylate","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Choi, Jin Ho; Kim, Kunyoung; Oh, Harin; Han, Sangil; Mishra, Neeraj Kumar; Kim, In Su","Ru(ii)-Catalyzed C-H addition and oxidative cyclization of 2-aryl quinazolinones with activated aldehydes.","Organic & biomolecular chemistry","2020","18","47","9611","9622","10.1039/d0ob01663b","","","0.71073","MoKα","","0.0694","0.0549","","","0.1498","0.1613","","","","","","1.004","","","","has coordinates","260818","2021-01-07","07:07:26",""
"7157718","18.7602","0.0014","9.1601","0.0006","16.7999","0.0012","90","","90","","90","","2887","0.4","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","2","","Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin","Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.","Organic & biomolecular chemistry","2020","18","40","8141","8146","10.1039/d0ob01824d","","","1.54178","CuKα","","0.0507","0.0454","","","0.1219","0.1266","","","","","","1.01","","","","has coordinates","258963","2020-11-06","13:10:43",""
"7157991","17.663","0.006","7.822","0.003","29.714","0.01","90","","90","0.007","90","","4105","3","273.15","","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H42 N6 O4 S2 -","- C42 H42 N6 O4 S2 -","- C168 H168 N24 O16 S8 -","4","1","","Zhao, Yu; Li, Li; Zhou, Zitong; Chen, Man; Yang, Weiguang; Luo, Hui","Copper catalyzed five-component domino strategy for the synthesis of nicotinimidamides.","Organic & biomolecular chemistry","2021","19","17","3868","3872","10.1039/d1ob00162k","","","0.71073","MoKα","","0.1783","0.0958","","","0.2247","0.2679","","","","","","0.973","","","","has coordinates","266158","2021-06-05","19:27:14",""
"7158012","19.6128","0.0009","12.3072","0.0006","9.3607","0.0005","90","","90","","90","","2259.47","0.19","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H22 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0421","0.038","","","0.1015","0.1054","","","","","","1.047","","","","has coordinates,has disorder","266172","2021-06-05","19:29:17",""
"7158054","15.2055","0.0018","17.986","0.002","8.4082","0.0011","90","","90","","90","","2299.5","0.5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H28 O7 -","- C27 H28 O7 -","- C108 H112 O28 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting","Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.","Organic & biomolecular chemistry","2021","19","21","4733","4742","10.1039/d1ob00606a","","","0.71073","MoKα","","0.1004","0.069","","","0.1332","0.1476","","","","","","1.053","","","","has coordinates","266179","2021-06-05","19:30:12",""
"7158088","7.6464","0.0002","30.7588","0.0009","5.878","0.0002","90","","90","","90","","1382.47","0.07","173","2","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0392","0.0341","","","0.0778","0.0813","","","","","","1.098","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158089","13.3693","0.0005","4.2733","0.0002","16.9207","0.0006","90","","90","","90","","966.7","0.07","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H7 I N2 -","- C11 H7 I N2 -","- C44 H28 I4 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0114","0.0111","","","0.028","0.0281","","","","","","1.027","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158194","9.97","0.0003","11.919","0.0003","12.5827","0.0004","90","","90","","90","","1495.23","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C1.55 H1.45 O0.45 -","- C1.54545 H1.45455 O0.454545 -","- C68 H64 O20 -","44","11","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71073","MoKα","","0.044","0.0407","","","0.1198","0.1239","","","","","","1.018","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158279","13.0488","0.0006","7.7427","0.0005","10.6551","0.0005","90","","90","","90","","1076.52","0.1","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.043","0.0295","","","0.0685","0.0732","","","","","","1.032","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158433","13.277","0.0009","10.5088","0.0007","27.5974","0.0019","90","","90","","90","","3850.5","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H18 Cl N O3 -","- C23 H18 Cl N O3 -","- C184 H144 Cl8 N8 O24 -","8","2","","Lu, Wen-Xiu; Xing, Jian; Sun, Yijia; Huang, Qinge; Deng, Zhenwei; Mao, Jian-Gang","Palladium-catalyzed and alcohol-enabled transformation to synthesize benzocyclic ketones.","Organic & biomolecular chemistry","2021","19","46","10210","10214","10.1039/d1ob01996a","","","0.71073","MoKα","","0.0713","0.0566","","","0.1493","0.1688","","","","","","1.106","","","","has coordinates","271121","2021-12-06","06:51:17",""
"7158591","21.023","0.003","12.4076","0.0016","18.781","0.003","90","","90","","90","","4898.9","1.2","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H22 N2 O3 S -","- C30 H22 N2 O3 S -","- C240 H176 N16 O24 S8 -","8","2","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.0583","0.0422","","","0.0929","0.1018","","","","","","1.017","","","","has coordinates","275057","2022-05-05","20:54:17",""
"7158673","55.7279","0.0019","8.6632","0.0002","9.3599","0.0003","90","","90","","90","","4518.8","0.2","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","FY-005_3","","- C18.5 H22 F12 N3 O1.5 P -","- C18.5 H22 F12 N3 O1.5 P -","- C148 H176 F96 N24 O12 P8 -","8","2","","Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru","Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00546H","","x-ray","1.54184","CuKα","","0.1125","0.0834","","","0.2318","0.2608","","","","","","1.036","","","","has coordinates,has disorder","275169","2022-05-07","00:28:10",""
"7158779","12.5996","0.0006","7.267","0.0003","42.5196","0.0018","90","","90","","90","","3893.1","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","1-methyl-4-(3-methyl-2-oxo-1-phenylimidazolidin-4-yl)-3-phenyl-1,3-dihydro-2H-imidazol-2-one","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C160 H192 N32 O32 -","8","2","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0615","0.0565","","","0.1406","0.1443","","","","","","1.098","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158949","24.354","0.003","8.7486","0.0014","16.091","0.002","90","","90","","90","","3428.4","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","2","","Prince, Prince; Kumar, Sandeep; Lalji, Ram Sunil Kumar; Gupta, Mohit; Kumar, Prashant; Kumar, Ravindra; Singh, Brajendra Kumar","Sustainable C-H Activation Approach for Palladium-Catalyzed, Regioselective, Functionalization of 1-Methyl-3-phenyl quinoxaline-2(1H)-ones in Water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01451C","","","0.71073","MoKα","","0.211","0.078","","","0.1474","0.199","","","","","","0.882","","","","has coordinates","278724","2022-10-23","00:34:20",""
"7158978","37.1188","0.0012","7.4217","0.0002","11.9822","0.0005","90","","90","","90","","3300.9","0.2","270","40","270","40","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","2","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.0789","0.0578","","","0.1324","0.1464","","","","","","0.974","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7159040","7.9771","0.0003","14.2651","0.0006","15.4453","0.0007","90","","90","","90","","1757.58","0.13","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0315","0.0288","","","0.0727","0.0747","","","","","","1.103","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159051","8.026","0.0002","18.0409","0.0004","10.1247","0.0002","90","","90","","90","","1466.02","0.06","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Mityanov, Vitaly S.","Assembly of isoxazol-5-one with 2-unsubstituted imidazole <i>N</i>-oxides and aldehydes.","Organic & biomolecular chemistry","2023","21","3","651","659","10.1039/d2ob02157a","","","0.71073","MoKα","","0.0367","0.0304","","","0.0718","0.0729","","","","","","1.022","","","","has coordinates","283495","2023-05-05","03:30:13",""
"7159126","22.7717","0.0003","10.3216","0.0002","30.7588","0.0005","90","","90","","90","","7229.6","0.2","93.15","","93.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C96 H64 N16 -","- C96 H64 N16 -","- C384 H256 N64 -","4","1","","Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya","Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.","Organic & biomolecular chemistry","2023","21","14","2889","2893","10.1039/d3ob00049d","","x-ray","1.54184","CuKα","","0.0579","0.0453","","","0.1125","0.1213","","","","","","1.032","","","","has coordinates","283456","2023-05-05","03:18:36",""
"7159157","18.7888","0.0012","10.0222","0.0004","12.1293","0.0008","90","","90","","90","","2284","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","1","","Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.","Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.","Organic & biomolecular chemistry","2023","21","9","1942","1951","10.1039/d2ob02193e","","","0.71073","MoKα","","0.07","0.0541","","","0.1317","0.1438","","","","","","1.033","","","","has coordinates","281595","2023-03-04","18:44:49",""
"7159202","9.447","0.004","7.16","0.003","36.118","0.016","90","","90","","90","","2443","1.8","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)","(ethyl (2E,4E)-6-((2E,4E)-6-((tert-butoxycarbonyl)amino)-6-methylhepta-2,4-dienamido)-6-methylhepta-2,4-dienoate)","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0956","0.0652","","","0.1504","0.1664","","","","","","1.041","","","","has coordinates","283485","2023-05-05","03:26:38",""
"7159258","16.8319","0.0012","15.3118","0.0013","6.5989","0.0006","90","","90","","90","","1700.7","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 F3 N S -","- C19 H18 F3 N S -","- C76 H72 F12 N4 S4 -","4","1","","Zhang, Xinyu; Zhang, Jinli; Chen, Jie; Zhou, Banghua; Zhang, Jian; Chen, Shunhong; Wu, Jian; Jiang, Yaojia","Modular synthesis of fluorinated 2<i>H</i>-thiophenes <i>via</i> [4 + 1] cyclization of enaminothiones.","Organic & biomolecular chemistry","2023","21","16","3345","3349","10.1039/d3ob00222e","","","0.71073","","","0.0982","0.0741","","","0.1558","0.1722","","","","","","1.174","","","","has coordinates","283444","2023-05-05","03:14:32",""
"7159301","11.4163","0.0002","12.6752","0.0002","8.4365","0.0002","90","","90","","90","","1220.79","0.04","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0302","0.0294","","0.0774","0.076","0.0774","","","","","","1.0046","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159328","9.3963","0.0007","9.7124","0.0009","12.0714","0.001","90","","90","","90","","1101.64","0.16","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","benzo[c]tetrazolo[2,3-a]cinnoline-2-thione","benzo[c]tetrazolo[2,3-a]cinnolinium-2-thiolate","","- C13 H8 N4 S -","- C13 H8 N4 S -","- C52 H32 N16 S4 -","4","1","","Nakata, Mirai; Hirashita, Tsunehisa; Konishi, Yoshikazu; Araki, Shuki","Synthesis of stable class 5 mesoionic benzo[<i>c</i>]tetrazolo[2,3-<i>a</i>]cinnolinium thiolate, dicyanomethylide, and amides.","Organic & biomolecular chemistry","2023","21","20","4282","4289","10.1039/d3ob00362k","","","0.71075","MoKα","","","0.0374","","","","0.0653","","","","","","0.887","","","","has coordinates","284319","2023-06-05","04:52:47",""
"7159340","16.128","0.006","5.8764","0.0019","26.359","0.009","90","","90","","90","","2498.2","1.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C104 H104 N8 O16 S8 -","8","2","","He, Ying; Wang, Qing; Yin, Hongquan; Chen, Fu-Xue","Copper(I)-catalyzed electrophilic thiocyanation/dearomatization/spirocyclization of benzofurans to synthesize benzannulated spiroketals.","Organic & biomolecular chemistry","2023","21","20","4216","4219","10.1039/d3ob00438d","","","0.71073","MoKα","","0.2397","0.1322","","","0.2315","0.2698","","","","","","0.996","","","","has coordinates","284323","2023-06-05","04:53:21",""
"7159441","12.3643","0.0004","7.5268","0.0004","31.4217","0.0012","90","","90","","90","","2924.2","0.2","296.71","","296.71","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H26 O4 -","- C40 H26 O4 -","- C160 H104 O16 -","4","1","","Gugulothu, Kishan; Jatoth, Ramanna; Gudipati, Ramakrishna; Rajitha, Nampally; Dandela, Rambabu; Shiva Kumar, K.","Pd-catalyzed homo-coupling of benzofurans: one-pot synthesis of diverse 3,3'-bisbenzofurans.","Organic & biomolecular chemistry","2023","21","27","5587","5591","10.1039/d3ob00658a","","x-ray","0.71073","MoKα","","0.2374","0.1349","","","0.3198","0.4051","","","","","","1.154","","","","has coordinates","285514","2023-08-05","09:31:23",""
"7159533","9.722","0.005","12.02","0.006","16.073","0.006","90","","90","","90","","1878.3","1.5","273","2","273.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C100 H72 O12 -","4","1","","Goel, Komal; Satyanarayana, Gedu","A two-step access to fused-/spiro-polycyclic frameworks <i>via</i> double Heck cascade and acid-driven processes.","Organic & biomolecular chemistry","2023","21","34","6919","6925","10.1039/d3ob01112g","","","0.71073","MoKα","","0.1723","0.0596","","","0.1217","0.1623","","","","","","0.96","","","","has coordinates","286802","2023-10-06","00:47:52",""
"7159691","25.055","0.006","3.8926","0.0009","13.226","0.003","90","","90","","90","","1289.9","0.5","297","2","297","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H9 Cl O3 -","- C17 H9 Cl O3 -","- C68 H36 Cl4 O12 -","4","1","","Faraz, Simra; Ali, Ahmad; Taleb Khan, Abu","FeCl<sub>3</sub>-catalyzed regioselective ring-opening of aryl oxirane with 4-hydroxycoumarin for the synthesis of furo[3,2-<i>c</i>]coumarins.","Organic & biomolecular chemistry","2023","22","1","95","105","10.1039/d3ob01721d","","","0.71073","MoKα","","0.0842","0.0487","","","0.0744","0.0832","","","","","","1.142","","","","has coordinates","289608","2024-02-04","12:26:35",""
"7159786","17.0247","0.0018","8.9614","0.0011","13.2287","0.0012","90","","90","","90","","2018.2","0.4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 N6 O4 -","- C22 H16 N6 O4 -","- C88 H64 N24 O16 -","4","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0308","0.03","","","0.0781","0.0789","","","","","","1.043","","","","has coordinates","290252","2024-03-04","20:39:39",""
"7159805","13.009","0.003","15.324","0.003","4.6638","0.0009","90","","90","","90","","929.7","0.3","293.15","","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Wu, Zeng-Hui; Qu, Heng-Tong; Han, Ben-Jun; Yang, Jia-Xin; Chang, Xiang-Wei; Feng, Cheng-Tao","Synthesis of pyrazino[1,2-<i>b</i>]indazoles <i>via</i> cascade cyclization of indazole aldehydes with propargylic amines.","Organic & biomolecular chemistry","2024","22","11","2226","2230","10.1039/d4ob00051j","","","0.71073","MoKα","","0.0792","0.0775","","","0.2056","0.2102","","","","","","1.053","","","","has coordinates","291050","2024-04-05","00:12:16",""
"7159824","15.06","0.0014","17.7122","0.0016","9.6717","0.0009","90","","90","","90","","2579.9","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H23 F3 N2 O6 S -","- C27 H23 F3 N2 O6 S -","- C108 H92 F12 N8 O24 S4 -","4","1","","Liu, Shuai; Liu, Xin; Zhang, Tian-Shu; Bao, Xiaoyu; Sheng, Xiaoyu; Qi, Zhenjie; Jiang, Dongfang","Electro-oxidative intermolecular C<sub>SP<sup>2</sup></sub>-H amination of heteroarenes <i>via</i> proton-coupled electron transfer.","Organic & biomolecular chemistry","2024","22","13","2549","2553","10.1039/d4ob00164h","","","0.71073","MoKα","","0.0863","0.055","","","0.12","0.137","","","","","","1.059","","","","has coordinates","291046","2024-04-05","00:11:37",""
"7159875","16.7536","0.0011","20.1967","0.0013","7.9477","0.0005","90","","90","","90","","2689.2","0.3","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H28 N2 O2 S2 -","- C30 H28 N2 O2 S2 -","- C120 H112 N8 O8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0692","0.0385","","","0.0944","0.1223","","","","","","1.091","","","","has coordinates","290787","2024-04-04","15:31:16",""
"7200277","16.257","0.0015","8.8673","0.0015","15.976","0.002","90","","90","","90","","2303","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H20 Fe Mn N9 O3 -","- C19 H14 Fe Mn N9 O3 -","- C76 H56 Fe4 Mn4 N36 O12 -","4","1","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71073","MoKα","","0.0834","0.058","","","0.1346","0.1511","","","","","","1.057","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200287","32.9054","0.0006","4.0078","0.0001","12.3689","0.0002","90","","90","","90","","1631.19","0.06","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","nicotinamide:malonic acid 2/1","nicotinamide:malonic acid 2/1","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0394","0.0333","","","0.0839","0.0878","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200295","8.6455","0.0001","36.5695","0.0006","5.2021","0.0001","90","","90","","90","","1644.7","0.05","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","nicotinamide:azelaic acid 2:1","nicotinamide:azelaic acid 2:1","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0619","0.0408","","","0.0961","0.1065","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200465","19.584","0.005","8.062","0.0019","20.523","0.005","90","","90","","90","","3240.3","1.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H14 Cl N3 O5 -","- C16 H14 Cl N3 O5 -","- C128 H112 Cl8 N24 O40 -","8","2","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1926","0.0785","","","0.1532","0.1806","","","","","","1.24","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200642","32.458","0.004","7.1893","0.0009","11.7654","0.0017","90","","90","","90","","2745.5","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","(TAMS)Bi2Cl8","(TAMS)Bi2Cl8","","- C17 H22 Bi2 Cl8 N2 -","- C17 H22 Bi2 Cl8 N2 -","- C68 H88 Bi8 Cl32 N8 -","4","1","","Xu, Gang; Li, Yan; Zhou, Wei-Wei; Wang, Guo-Jian; Long, Xi-Fa; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun; Bator, Grazyna; Jakubas, Ryszard","A ferroelectric inorganic‒organic hybrid based on NLO-phore stilbazolium","Journal of Materials Chemistry","2009","19","15","2179","","10.1039/b819473d","","","0.71073","MoKα","","0.0674","0.0591","","","0.1487","0.1552","","","","","","1.076","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200699","7.9666","0.0016","4.8702","0.001","21.351","0.004","90","","90","","90","","828.4","0.3","180","0.1","295","2","","","100","","","","","4","P n a 21","P 2c -2n","33","chloroiodomethane","chloroiodomethane","","- C H2 Cl I -","- C H2 Cl I -","- C8 H16 Cl8 I8 -","8","2","","Podsiadło, Marcin; Katrusiak, Andrzej","Electrostatic matching in phase IV of chloroiodomethane: a new aggregation pattern in the isostructural classes of dihalomethanes","CrystEngComm","2009","11","7","1391","","10.1039/b820422e","","","0.71073","MoKα","","0.0597","0.0544","","","0.1431","0.153","","","","","","1.076","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200745","13.72","0.02","4.975","0.002","14.7","0.011","90","","90","","90","","1003.4","1.7","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H7 Cl2 Li O5 -","- C8 H7 Cl2 Li O5 -","- C32 H28 Cl8 Li4 O20 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0432","","","","0.1336","","","","","","1.078","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200790","15.0879","0.0007","7.4306","0.0003","5.7751","0.0001","90","","90","","90","","647.46","0.04","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54184","CuKα","","0.0458","0.0433","","","0.1261","0.1287","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200812","11.1531","0.0004","9.9944","0.0003","24.0449","0.0007","90","","90","","90","","2680.25","0.15","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C116 H112 Cu4 N8 O24 -","4","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.0738","0.0537","","","0.129","0.1369","","","","","","0.991","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7201255","8.7864","0.0013","35.234","0.005","8.7965","0.0011","90","","90","","90","","2723.2","0.7","400.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H12 Fe N10 S4 -","- C26 H12 Fe N10 S4 -","- C104 H48 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0717","","","","0.2059","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201256","8.5451","0.0005","34.392","0.002","8.5882","0.0004","90","","90","","90","","2523.9","0.2","173.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H12 Fe N10 S4 -","- C26 H12 Fe N10 S4 -","- C104 H48 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0471","","","","0.1216","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201262","9.987","0.003","13.172","0.004","14.29","0.004","90","","90","","90","","1879.8","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H15 N4 O9 Tb -","- C18 H15 N4 O9 Tb -","- C72 H60 N16 O36 Tb4 -","4","1","","Yin, Pei-Xiu; Li, Zhao-Ji; Zhang, Jian; Zhang, Lei; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Protonated 3-amino-1,2,4-triazole templated luminescent lanthanide isophthalates with a rare (3,6)-connected topology","CrystEngComm","2009","11","12","2734","","10.1039/b907107e","","","0.71073","MoKα","","0.0483","0.0361","","","0.0879","0.097","","","","","","1.059","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201263","10.158","0.003","13.269","0.004","14.47","0.004","90","","90","","90","","1950.4","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H15 La N4 O9 -","- C18 H15 La N4 O9 -","- C72 H60 La4 N16 O36 -","4","1","","Yin, Pei-Xiu; Li, Zhao-Ji; Zhang, Jian; Zhang, Lei; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Protonated 3-amino-1,2,4-triazole templated luminescent lanthanide isophthalates with a rare (3,6)-connected topology","CrystEngComm","2009","11","12","2734","","10.1039/b907107e","","","0.71073","MoKα","","0.0408","0.0315","","","0.0618","0.0671","","","","","","1.027","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201533","7.0199","0.0006","22.9038","0.0018","15.2538","0.0012","90","","90","","90","","2452.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H13 Cl10 N O3 -","- C19 H13 Cl10 N O3 -","- C76 H52 Cl40 N4 O12 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.038","0.0299","","","0.0619","0.0658","","","","","","1.067","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201578","15.8279","0.0003","10.5692","0.0002","18.4677","0.0005","90","","90","","90","","3089.43","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 Cu N6 O6 -","- C30 H36 Cu N6 O6 -","- C120 H144 Cu4 N24 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0396","0.0349","","","0.0865","0.0891","","","","","","0.989","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201579","15.7512","0.0002","10.2969","0.00015","18.7712","0.0002","90","","90","","90","","3044.47","0.07","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 Co N6 O6 -","- C30 H36 Co N6 O6 -","- C120 H144 Co4 N24 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0304","0.0283","","","0.0732","0.0742","","","","","","1.024","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201580","16.0791","0.0002","10.1956","0.0002","18.9341","0.0003","90","","90","","90","","3103.98","0.09","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 N6 Ni O6 -","- C30 H36 N6 Ni O6 -","- C120 H144 N24 Ni4 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0374","0.0324","","","0.0821","0.0842","","","","","","1.044","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201705","17.7932","0.0006","11.6083","0.0004","7.8582","0.0002","90","","90","","90","","1623.1","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H20 Cl4 Cu N2 -","- C11 H20 Cl4 Cu N2 -","- C44 H80 Cl16 Cu4 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.018","0.0161","","","0.04","0.0402","","","","","","1.066","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201743","17.042","0.005","10.357","0.004","14.27","0.004","90","","90","","90","","2518.7","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H26 N4 O5 Zn -","- C26 H26 N4 O5 Zn -","- C104 H104 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.054","0.0356","","","0.0759","0.0818","","","","","","1.016","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201825","16.6305","0.0004","16.7308","0.0005","24.0702","0.0005","90","","90","","90","","6697.3","0.3","120","2","120","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","15,22-bis(dimethoxyphosphoryl)-2,5,8-trioxa- 16,21-diazatricyclo[21.4.0.0^9,14^]heptacosa- 9,11,13,23,25,27(1)-hexaene tetrahydrofuran methanol","","- C31 H52 N2 O11 P2 -","- C31 H52 N2 O11 P2 -","- C248 H416 N16 O88 P16 -","8","2","","Bilge, Selen; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Zeynel; Rutherford, John S.; Shaw, Robert A.","Clathrate and channel inclusion systems co-exist in the crystal structure of a bis-C-pivot macrocycle (Z′ = 2)","CrystEngComm","2008","10","7","873","","10.1039/b716882a","","","0.71073","MoKα","","0.1371","0.0893","","","0.2263","0.2658","","","","","","1.016","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201885","16.553","0.002","15.1396","0.0018","17.253","0.003","90","","90","","90","","4323.7","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H62 Cl2 N8 O11 -","- C36 H62 Cl2 N8 O11 -","- C144 H248 Cl8 N32 O44 -","4","1","","Yang, Li-Zi; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Unusual pH value dependent encapsulation and release of water‒methanol binary guests by a cryptand host","CrystEngComm","2008","10","6","649","","10.1039/b717967g","","","0.71073","MoKα","","0.1135","0.0589","","","0.1442","0.1736","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202173","21.8959","0.0006","13.8979","0.0003","13.7164","0.0003","90","","90","","90","","4174","0.17","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","phosphatocobalt(iii) Bipyridine-glycoluril complex","","","- C28 H24 Co N12 O10 P -","- C28 H24 Co N12 O10 P -","- C112 H96 Co4 N48 O40 P4 -","4","1","","Kumbhar, Avinash S.; Deshpande, Megha S.; Butcher, Raymond J.","Hydrogen bond directed open-framework of bis(bipyridine-glycoluril) phosphatocobalt(III) with solvent accessible void space","CrystEngComm","2008","10","11","1520","","10.1039/b806123h","","","0.71073","MoKα","","0.1042","0.0558","","","0.139","0.158","","","","","","0.926","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202443","17.64","0.002","13.38","0.003","21.46","0.004","90","","90","","90","","5065.1","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H57 Cd3 N9 O21 -","- C34 H44 Cd3 N8 O20 -","- C136 H176 Cd12 N32 O80 -","4","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71073","MoKα","","0.0666","0.0606","","","0.1703","0.1758","","","","","","1.062","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202521","17.6095","0.0004","18.6243","0.0004","5.4636","0.0001","90","","90","","90","","1791.87","0.06","148","2","148","2","","","","","","","","5","P n a 21","P 2c -2n","33","Complex 10","","","- C20 H14 Ag N3 O5 -","- C20 H14 Ag N3 O5 -","- C80 H56 Ag4 N12 O20 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0338","0.0278","","","0.0673","0.0696","","","","","","1.072","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202549","13.1816","0.0003","11.8826","0.0003","22.35","0.0005","90","","90","","90","","3500.72","0.14","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H38 Cl3 N4 O6 -","- C28 H38 Cl3 N4 O6 -","- C112 H152 Cl12 N16 O24 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0684","0.0615","","","0.1687","0.1746","","","","","","1.062","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202635","14.0604","0.0005","10.7206","0.0019","27.612","0.003","90","","90","","90","","4162.1","0.9","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46 H42 N4 O12 -","- C46 H42 N4 O12 -","- C184 H168 N16 O48 -","4","1","","Seyler, Helga; Berger-Nicoletti, Elena; Kilbinger, Andreas F. M.","Rod?coil copolymers from oligo(p-benzamide) foldamers","Journal of Materials Chemistry","2007","17","19","1954","","10.1039/b617598h","","","1.54178","CuKα","","0.2332","0.0878","","","0.193","0.2513","","","","","","0.983","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202767","6.86","0.002","13.404","0.005","22.474","0.009","90","","90","","90","","2066.5","1.3","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H13 N5 O12 -","- C19 H13 N5 O12 -","- C76 H52 N20 O48 -","4","1","","Balevicius, Vytautas; Bariseviciute, Ruta; Aidas, Kestutis; Svoboda, Ingrid; Ehrenberg, Helmut; Fuess, Hartmut","Proton transfer in hydrogen-bonded pyridine/acid systems: the role of higher aggregation.","Physical chemistry chemical physics : PCCP","2007","9","24","3181","3189","10.1039/b701775h","","","0.71073","MoKα","","0.0729","0.042","","","0.0913","0.1078","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202919","7.7477","0.0008","18.698","0.002","5.7744","0.0006","90","","90","","90","","836.52","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0259","0.0244","","","0.0614","0.062","","","","","","1.044","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202922","7.6827","0.0006","18.7212","0.0014","5.7833","0.0004","90","","90","","90","","831.81","0.11","153","1","153","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0213","0.0207","","","0.0554","0.0556","","","","","","1.089","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203104","36.062","0.002","9.1053","0.0003","4.6794","0.0003","90","","90","","90","","1536.51","0.14","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","octylsemicarbazid","ethyl2-[(octylamino)carbonyl]hydrazinecarboxylate","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C48 H100 N12 O12 -","4","1","","Deindörfer, Pia; Geiger, Thomas; Schollmeyer, Dieter; Ye, Jian Hui; Zentel, Rudolf","Semicarbazides as gel forming agents for common solvents and liquid crystals","Journal of Materials Chemistry","2006","16","4","351","","10.1039/b510474b","","","1.54178","CuKα","","0.0628","0.0487","","","0.1284","0.1378","","","","","","1.026","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7203214","14.034","0.01","13.205","0.017","3.699","0.008","90","","90","","90","","685.5","1.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 N O4 -","- C7 H4 N O4 -","- C28 H16 N4 O16 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0759","0.0591","","","0.1573","0.1701","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203577","17.707","0.006","20.119","0.003","19.17","0.009","90","","90","","90","","6829","4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 Co N8 O8 -","- C66 H76 Co N8 O8 -","- C264 H304 Co4 N32 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.159","0.1122","","","0.2218","0.2373","","","","","","1.219","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203578","17.707","0.003","20.072","0.004","19.219","0.002","90","","90","","90","","6830.7","1.9","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 N8 Ni O8 -","- C66 H76 N8 Ni O8 -","- C264 H304 N32 Ni4 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1289","0.097","","","0.1955","0.208","","","","","","1.077","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203664","20.081","0.006","14.094","0.004","12.065","0.003","90","","90","","90","","3414.7","1.6","294","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H23 Br5 Cl2 N2 -","- C36 H23 Br5 Cl2 N2 -","- C144 H92 Br20 Cl8 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.064","","","","0.065","","","","","","1.72","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203691","12.0367","0.0011","20.9059","0.0018","8.6999","0.0008","90","","90","","90","","2189.2","0.3","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","2,4,6-tris(4-fluorobenzylamino)-1,3,5-triazine","2,4,6-tris(4-fluorobenzylamino)-1,3,5-triazine","","- C24 H21 F3 N6 -","- C24 H21 F3 N6 -","- C96 H84 F12 N24 -","4","1","","Srinivas, K.; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash, K.; Ravikumar, K.; Anthony, S. Philip; Radhakrishnan, T. P.","First hyperpolarizability of some nonconjugated donor?acceptor 3D molecules: noncentrosymmetric crystal through conformational flexibility","Journal of Materials Chemistry","2005","15","9","965","","10.1039/b414311f","","","0.71073","MoKα","","0.0741","0.0456","","","0.0962","0.1085","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203789","10.4092","0.0002","19.7245","0.0005","8.4632","0.0002","90","","90","","90","","1737.63","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 Cd N2 O5 -","- C18 H14 Cd N2 O5 -","- C72 H56 Cd4 N8 O20 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure","Journal of Materials Chemistry","2005","15","35-36","3852","","10.1039/b504666a","","","0.71073","MoKα","","0.0169","0.016","","","0.0369","0.0372","","","","","","1.083","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7204012","7.991","0.002","26.326","0.005","6.588","0.0013","90","","90","","90","","1385.9","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.3264","0.0659","","0.231","0.0701","","","","0.863","1.36","1.36","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204218","9.1435","0.0002","27.8109","0.0003","5.8488","0.001","90","","90","","90","","1487.3","0.3","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","","Correa, Waldo H.; Scott, Janet L.","Solvent-free, two-step synthesis of some unsymmetrical 4-aryl-1,4-dihydropyridines","Green Chemistry","2001","3","6","296","301","10.1039/b106397a","","","0.71073","MoKα","","0.0869","0.049","","","0.0883","0.1012","","","","","","1.039","","","","has coordinates","264728","2021-04-30","11:43:03",""
"7204370","16.808","0.002","22.023","0.002","9","0.003","90","","90","","90","","3331.5","1.2","203","2","203","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C38 H48 O4 -","- C38 H48 O4 -","- C152 H192 O16 -","4","1","","Carl Thirsk; Geoffrey E. Hawkes; Romano T. Kroemer; Klaus R. Liedl; Thomas Loerting; Rima Nasser; Robin G. Pritchard; Melanie Steele; John E. Warren; Andrew Whiting","The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphthalenes","J. Chem. Soc., Perkin Trans. 2","2002","","9","1510","1519","10.1039/b201235a","","x-ray","0.71073","MoKα","","0.096","0.049","","","0.085","0.1009","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204412","20.4722","0.0003","13.2281","0.0002","20.7521","0.0004","90","","90","","90","","5619.84","0.16","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(veratryl)-1,2,3,4-tetrahydroquinazoline","2-(3',4'-dimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C256 H288 N32 O32 -","16","4","","Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.","Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines","Green Chemistry","2002","4","3","245","","10.1039/b202729c","","","0.71073","MoKα","","0.1532","0.0639","","","0.0959","0.1197","","","","","","1.014","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204463","18.117","0.003","7.088","0.001","34.009","0.007","90","","90","","90","","4367.2","1.3","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","2,4,4,6-tetraphenyl-4H-selenopyran","","- C29 H22 Se -","- C29 H22 Se -","- C232 H176 Se8 -","8","2","","Jiří Kroulík; Jan Čejka; Stanislav Böhm; Pavel Šebek; Stanislav Nešpůrek; Igor Koshets; Petr Sedmera; Petr Halada; Vladimír Havlíček; Bohumil Kratochvíl; Josef Kuthan","Substituted 2,4,4,6-tetraphenyl-4H-selenopyrans: preparation, photocolouration and 4H-selenopyran ring geometry; an X-ray and DFT calculation study","J. Chem. Soc., Perkin Trans. 2","2002","","11","1909","1916","10.1039/b204976g","","","1.5418","CuKα","","","0.0621","","","","0.0529","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204511","14.787","0.0002","22.7233","0.0003","14.1751","0.0002","90","","90","","90","","4762.97","0.11","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H7 Cl2 N O3 -","- C11 H7 Cl2 N O3 -","- C176 H112 Cl32 N16 O48 -","16","4","","Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C.","Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2031","","10.1039/b207808b","","","0.7107","MoKα","","0.0877","0.0379","","0.0495","","0.0374","","","0.934","","","0.969","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204745","20.7603","0.0012","5.2207","0.0003","17.9147","0.001","90","","90","","90","","1941.65","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Zinc Phosphate","","","- C4 H16 N2 O17 P4 Zn5 -","- C4 H15 N2 O17 P4 Zn5 -","- C16 H60 N8 O68 P16 Zn20 -","4","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.039","0.0353","","","0.0818","0.0832","","","","","","1.017","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204867","22.5962","0.0005","8.1506","0.0002","7.6964","0.0001","90","","90","","90","","1417.47","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","syn-7-trimethyl-silyl-5 Norbornene-2,3-endo -dicarboxylic acid","","","- C12 H18 O4 Si -","- C12 H18 O4 Si -","- C48 H72 O16 Si4 -","4","1","","Shahina Begum, Noor; Girija, C. R.; Nagendrappa, Gopalpur","The influence of the trimethylsilyl group: helical self-assembly of syn-7-trimethylsilyl-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2004","6","24","116","","10.1039/b403631j","","","0.71073","MoKα","","0.041","0.0383","","","0.1103","0.1133","","","","","","0.89","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204947","15.253","0.0012","8.2554","0.0007","10.6784","0.0009","90","","90","","90","","1344.62","0.19","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H5 Co2 N2 O12 V3 -","- C5 H5 Co2 N2 O12 V3 -","- C20 H20 Co8 N8 O48 V12 -","4","1","","Zheng, Li-Min; Wang, Xiqu; Wang, Yongsheng; Jacobson, Allan J.","Syntheses and characterization of Co2(4,4'-bipy)2(V4O12), Co(pz)(VO3)2 and Co2(2-pzc)(H2O)(VO3)3 (4,4'-bipy = 4,4'-bipyridine, pz = pyrazine, 2-pzc = 2-pyrazinecarboxylate)","Journal of Materials Chemistry","2001","11","4","1100","","10.1039/b009091n","","","0.71073","MoKα","","0.0322","0.0265","","0.0597","0.0581","","","","1.04","1.07","1.07","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7205032","9.556","0.0013","12.611","0.002","5.2318","0.0008","90","","90","","90","","630.49","0.16","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","zinc amidomethylphosphonate","","","- C2 H6 N O5 P Zn -","- C2 H4 N O5 P Zn -","- C8 H16 N4 O20 P4 Zn4 -","4","1","","Hix, Gary B.; Turner, Adele; Kariuki, Benson M.; Tremayne, Maryjane; MacLean, Elizabeth J.","Strategies for the synthesis of porous metal phosphonate materialsBasis of a presentation given at Materials Discussion No. 5, 22???25 September 2002, Madrid, Spain.","Journal of Materials Chemistry","2002","12","11","3220","","10.1039/b204131f","","","0.71069","MoKα","","0.0313","0.0311","","","0.0831","0.0833","","","","","","1.085","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205037","17.021","0.006","8.864","0.005","15.78","0.006","90","","90","","90","","2380.8","1.8","250","","","","","","","","","","Local laboratory","4","P n a 21","P 2c -2n","33","","","","- C29 H25 As O3 -","- C29 H25 As O3 -","- C116 H100 As4 O12 -","4","1","","Mitsumoto, Yuhki; Nitta, Makoto","Synthesis, structure, and reactivity of (triphenylarsoranylidene)methylcyclohepta-2,4,6-trienone derivatives: reactions with heterocumulenes and an activated acetylene","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2268","","10.1039/b205612g","","","1.54178","CuKα","","0.0482","0.0482","","","0.152","0.1522","","","","","","1.581","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205342","17.88","0.003","10.4331","0.0017","21.17","0.003","90","","90","","90","","3949.1","1.1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H17 As N2 O8 S Zn -","- C16 H17 As N2 O8 S Zn -","- C128 H136 As8 N16 O64 S8 Zn8 -","8","2","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0376","0.033","","","0.0586","0.0609","","","","","","1.044","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205573","7.5142","0.0004","24.1429","0.0014","17.5439","0.001","90","","90","","90","","3182.7","0.3","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H42 N7 O10 S2 -","- C24 H42 N7 O10 S2 -","- C96 H168 N28 O40 S8 -","4","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0417","0.0386","","","0.1096","0.1127","","","","","","1.075","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205574","7.2608","0.0003","23.5817","0.0011","18.4741","0.0009","90","","90","","90","","3163.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H38 N9 O9 S2 -","- C23 H38 N9 O9 S2 -","- C92 H152 N36 O36 S8 -","4","1","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0464","0.0382","","","0.092","0.0964","","","","","","1.052","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205596","16.611","0.0016","15.9977","0.0015","15.7389","0.0015","90","","90","","90","","4182.4","0.7","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H33 N5 O6 S8 Zn -","- C40 H29 N5 O6 S8 Zn -","- C160 H116 N20 O24 S32 Zn4 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.7107","MoKα","","0.0688","0.0589","","","0.125","0.13","","","","","","1.088","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205744","23.105","0.005","12.069","0.002","12.498","0.003","90","","90","","90","","3485.1","1.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 Cd N10 O6 -","- C36 H36 Cd N10 O6 -","- C144 H144 Cd4 N40 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0289","0.0243","","","0.0574","0.0594","","","","","","1.054","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205940","18.5487","0.0016","9.8461","0.001","13.2847","0.0011","90","","90","","90","","2426.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 N5 O5 Zn -","- C25 H27 N5 O5 Zn -","- C100 H108 N20 O20 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.1305","0.0377","","","0.0398","0.0506","","","","","","0.81","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205941","18.3946","0.0007","9.8739","0.0003","13.2948","0.0005","90","","90","","90","","2414.69","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Co N5 O5 -","- C25 H27 Co N5 O5 -","- C100 H108 Co4 N20 O20 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0876","0.0349","","","0.0436","0.0478","","","","","","0.807","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206050","8.5056","0.0007","10.1688","0.0008","14.4684","0.0012","90","","90","","90","","1251.4","0.18","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.036","0.0335","","","0.0872","0.0895","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206105","22.093","0.004","9.3747","0.0019","28.939","0.006","90","","90","","90","","5994","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.334 N O4 -","- C264 H306.672 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1016","0.076","","","0.1992","0.2226","","","","","","1.098","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206106","22.121","0.004","9.3817","0.0018","28.942","0.005","90","","90","","90","","6006.4","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.18 N O4 -","- C264 H305.44 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1058","0.0745","","","0.1906","0.2178","","","","","","1.106","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206107","22.142","0.004","9.3891","0.0017","28.954","0.005","90","","90","","90","","6019.3","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H37.98 N O4 -","- C264 H303.84 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1143","0.0774","","","0.198","0.2291","","","","","","1.107","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206108","22.179","0.004","9.3739","0.0017","28.978","0.006","90","","90","","90","","6025","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.2155 N O4 -","- C264 H305.724 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1307","0.0878","","","0.2321","0.2715","","","","","","1.127","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206109","22.199","0.004","9.37","0.0017","29.003","0.006","90","","90","","90","","6033","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.5385 N O4 -","- C264 H308.308 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1427","0.091","","","0.2415","0.2889","","","","","","1.145","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206125","21.837","0.002","16.5073","0.0014","7.2252","0.0006","90","","90","","90","","2604.5","0.4","100","2","100","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","","0.71075","MoKα","","0.0392","0.0358","","","0.1","0.1101","","","","","","1.138","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206126","21.845","0.002","16.5081","0.0013","7.2355","0.0006","90","","90","","90","","2609.3","0.4","120","2","120","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0378","0.0359","","","0.0926","0.0948","","","","","","1.086","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206127","21.859","0.002","16.5084","0.0014","7.2459","0.0006","90","","90","","90","","2614.7","0.4","140","2","140","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0419","0.0384","","","0.1047","0.1144","","","","","","1.138","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206128","21.879","0.009","16.52","0.007","7.263","0.003","90","","90","","90","","2625.1","1.9","160","2","160","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0386","","","0.1053","0.1169","","","","","","1.171","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206129","21.889","0.002","16.5223","0.0014","7.275","0.0006","90","","90","","90","","2631.1","0.4","180","2","180","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0391","","","0.1066","0.1172","","","","","","1.141","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206130","21.893","0.01","16.515","0.007","7.283","0.003","90","","90","","90","","2633","2","200","2","200","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0463","0.0415","","","0.1137","0.1243","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206131","21.893","0.002","16.5073","0.0018","7.299","0.0007","90","","90","","90","","2637.8","0.5","220","2","220","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0469","0.0408","","","0.1118","0.1238","","","","","","1.161","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206132","21.926","0.01","16.514","0.008","7.31","0.003","90","","90","","90","","2647","2","240","2","240","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0498","0.044","","","0.1196","0.1305","","","","","","1.16","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206133","21.969","0.002","16.485","0.002","7.3209","0.0009","90","","90","","90","","2651.3","0.5","260","2","260","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0511","0.0439","","","0.1178","0.1305","","","","","","1.162","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206134","21.942","0.002","16.515","0.002","7.3435","0.0008","90","","90","","90","","2661.1","0.5","280","","280","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0551","0.0471","","","0.1262","0.1393","","","","","","1.182","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206135","21.84","0.002","16.506","0.0017","7.2541","0.0007","90","","90","","90","","2615","0.4","150","","150","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0458","0.0401","","","0.1095","0.1262","","","","","","1.19","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206164","18.7033","0.0013","25.8907","0.0018","9.8896","0.0006","90","","90","","90","","4789","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H48 N12 O Ru2 -","- C52 H48 N12 O Ru2 -","- C208 H192 N48 O4 Ru8 -","4","1","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.2126","0.0769","","","0.1835","0.2572","","","","","","0.952","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206165","18.7417","0.0015","25.884","0.002","9.8779","0.0008","90","","90","","90","","4791.9","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H40 N12 Ru2 -","- C48 H40 N12 Ru2 -","- C192 H160 N48 Ru8 -","4","1","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Saguar, Susana; Urbanos, Francisco A.","Microwave methods for the synthesis of paddlewheel diruthenium compounds with N,N-donor ligands","Green Chemistry","2011","13","7","1885","","10.1039/c0gc00800a","","","0.71073","MoKα","","0.1845","0.0759","","","0.175","0.2117","","","","","","0.839","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206319","8.4799","0.0014","15.706","0.003","5.75","0.001","90","","90","","90","","765.8","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H4 Br N3 O3 Pb -","- C3 H4 Br N3 O3 Pb -","- C12 H16 Br4 N12 O12 Pb4 -","4","1","","Safarifard, Vahid; Morsali, Ali","Reversible crystal-to-crystal transformation of a 3D‒3D coordination polymer by solid state anion-replacement with no change in nano-particle morphology","CrystEngComm","2011","13","15","4817","","10.1039/c1ce05311f","","","0.71073","MoKα","","0.026","0.0237","","","0.0528","0.0534","","","","","","1.021","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206383","19.87","0.002","10.8608","0.0009","4.9241","0.0005","90","","90","","90","","1062.64","0.18","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","NmpFM","","","- C25 H21 F N4 O2 -","- C25 H21 F N4 O2 -","- C50 H42 F2 N8 O4 -","2","0.5","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0448","0.0348","","","0.0888","0.0926","","","","","","1.049","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206450","9.974","0.0005","9.1804","0.0005","27.5385","0.0017","90","","90","","90","","2521.6","0.2","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H22 N2 O12 P2 Zn2 -","- C21 H22 N2 O12 P2 Zn2 -","- C84 H88 N8 O48 P8 Zn8 -","4","1","","Huang, Yu-Ting; Lai, Yu-Lun; Lin, Chia-Her; Wang, Sue-Lein","Direct use of waste PET as unfailing source of organic reagents in the synthesis of intrinsic white/yellow luminescent nanoporous zincophosphates","Green Chemistry","2011","13","8","2000","","10.1039/c1gc15427c","","","0.71073","MoKα","","0.0836","0.0537","","","0.108","0.1146","","","","","","1.042","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206508","12.735","0.003","20.53","0.004","18.882","0.004","90","","90","","90","","4936.7","1.8","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H58 F18 N5 O4 P3 -","- C42 H58 F18 N5 O4 P3 -","- C168 H232 F72 N20 O16 P12 -","4","1","","Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping","Inclusion of unique four-clawed crown-like nitrate‒water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H‒bonded cationic net formed by a cationic calix[4]arene","CrystEngComm","2011","13","19","5718","","10.1039/c1ce05377a","","","0.71073","MoKα","","0.1001","0.0843","","","0.1944","0.208","","","","","","1.1","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206514","18.484","0.005","11.438","0.003","9.597","0.003","90","","90","","90","","2029","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H16 Br2 N4 O4 Zn -","- C15 H16 Br2 N4 O4 Zn -","- C60 H64 Br8 N16 O16 Zn4 -","4","1","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.1074","0.0595","","","0.1367","0.1605","","","","","","1.003","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206519","9.448","0.007","10.894","0.008","5.873","0.004","90","","90","","90","","604.5","0.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-hydroxybenzylalcohol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.062","0.0443","","","0.118","0.13","","","","","","1.048","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206835","21.4447","0.001","16.3875","0.0006","10.392","0.0005","90","","90","","90","","3652","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H28 N7 O9 S0 Zn2 -","- C36 H24 N7 O9 Zn2 -","- C144 H96 N28 O36 Zn8 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71073","MoKα","","0.1046","0.0497","","","0.1022","0.1156","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206922","9.0447","0.0002","14.1185","0.0003","9.9862","0.0003","90","","90","","90","","1275.21","0.05","292","2","292","2","","","","","","","","6","P n a 21","P 2c -2n","33","2-iodo-N-(2-fluorophenyl)benzamide","2-iodo-N-(2-fluorophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C52 H36 F4 I4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0441","0.0339","","","0.0688","0.0711","","","","","","1.006","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206937","27.84","0.006","21.605","0.004","20.145","0.004","90","","90","","90","","12117","4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 Cu6 N20 O39 P W11 -","- C100 H80 Cu6 N20 O39 P W11 -","- C400 H320 Cu24 N80 O156 P4 W44 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.1737","0.0694","","","0.1665","0.2347","","","","","","1.057","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206938","28.117","0.002","21.4312","0.0016","19.6445","0.0014","90","","90","","90","","11837.4","1.5","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 B Cu5 N20 O40 W12 -","- C100 H80 B Cu5 N20 O40 W12 -","- C400 H320 B4 Cu20 N80 O160 W48 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.0857","0.0453","","","0.1025","0.134","","","","","","0.999","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207187","5.5787","0.0012","27.608","0.007","16.771","0.004","90","","90","","90","","2583","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C136 H88 O16 S8 -","4","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.1169","0.0728","","","0.1658","0.1962","","","","","","0.977","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207271","7.5217","0.0002","15.7302","0.0004","9.087","0.0002","90","","90","","90","","1075.15","0.05","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0604","0.044","","","0.0913","0.0945","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207283","14.211","0.002","19.93","0.003","10.786","0.002","90","","90","","90","","3054.9","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H10 Cl5 N4 Sb -","- C6 H10 Cl5 N4 Sb -","- C48 H80 Cl40 N32 Sb8 -","8","2","","Piecha, Anna; Białońska, Agata; Jakubas, Ryszard","Novel organic‒inorganic hybrid ferroelectric: bis(imidazolium) pentachloroantimonate(iii), (C3N2H5)2SbCl5","Journal of Materials Chemistry","2012","22","2","333","","10.1039/c1jm13597j","","","0.71073","MoKα","","0.0226","0.0194","","","0.0455","0.0469","","","","","","1.065","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207324","19.39","0.004","11.906","0.003","12.766","0.003","90","","90","","90","","2947.1","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H29 Br Co N6 O5 -","- C29 H29 Br Co N6 O5 -","- C116 H116 Br4 Co4 N24 O20 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0663","0.0512","","","0.1233","0.13","","","","","","1.009","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207413","20.322","0.005","7.679","0.005","16.703","0.005","90","0.005","90","0.005","90","0.005","2607","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H24 N4 O7 Zn -","- C26 H24 N4 O7 Zn -","- C104 H96 N16 O28 Zn4 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.0648","0.0461","","","0.116","0.1294","","","","","","1.03","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207424","18.2592","0.0006","12.6726","0.0004","12.0365","0.0005","90","","90","","90","","2785.14","0.17","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H27 Cl2 Cu N12 O11.5 -","- C14 H27 Cl2 Cu N12 O11.5 -","- C56 H108 Cl8 Cu4 N48 O46 -","4","1","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0386","0.0348","","","0.0954","0.0968","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207429","9.034","0.005","13.743","0.005","11.372","0.005","90","","90","","90","","1411.9","1.1","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0502","0.0399","","","0.1008","0.1047","","","","","","1.023","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207504","11.241","0.005","20.08","0.008","10.684","0.005","90","","90","","90","","2411.6","1.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H20 N2 O2 S3 -","- C28 H20 N2 O2 S3 -","- C112 H80 N8 O8 S12 -","4","1","","Chen, Shangjun; Yang, Yuheng; Wu, Yue; Tian, He; Zhu, Weihong","Multi-addressable photochromic terarylene containing benzo[b]thiophene-1,1-dioxide unit as ethene bridge: multifunctional molecular logic gates on unimolecular platform","Journal of Materials Chemistry","2012","22","12","5486","","10.1039/c2jm14973g","","","0.71073","MoKα","","0.037","0.0315","","","0.077","0.0811","","","","","","1.054","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207555","9.916","0.007","9.185","0.006","11.738","0.007","90","","90","","90","","1069.1","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-butylidene-4-hydroxybenzohydrazide","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1495","0.0578","","","0.0986","0.1221","","","","","","1.004","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207556","9.835","0.003","9.153","0.003","11.37","0.005","90","","90","","90","","1023.5","0.6","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0532","0.0462","","","0.1203","0.129","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207557","9.875","0.002","9.103","0.003","11.59","0.005","90","","90","","90","","1041.8","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0636","0.0424","","","0.0959","0.1073","","","","","","1.055","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207558","9.968","0.005","8.082","0.005","13.267","0.008","90","","90","","90","","1068.8","1.1","368","2","368","2","","","","","","","","4","P n a 21","P 2c -2n","33","N'-2-propylidene-4-hydroxybenzohydrazide","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0974","0.0642","","","0.1763","0.2047","","","","","","1.121","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207559","9.008","0.001","7.064","0.001","15.833","0.002","90","","90","","90","","1007.5","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.089","0.0967","","","","","","0.91","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207560","9.157","0.004","7.196","0.003","15.566","0.006","90","","90","","90","","1025.7","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.049","0.037","","","0.0901","0.0974","","","","","","1.099","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207561","9.818","0.006","10.485","0.008","11.333","0.008","90","","90","","90","","1166.6","1.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-cyclohexylidene-4-hydroxybenzohydrazide'","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1047","0.0535","","","0.1144","0.1382","","","","","","1.009","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207626","7.865","0.0019","26.831","0.007","8.552","0.002","90","","90","","90","","1804.7","0.8","293","2","293","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C16 H21 N O6 S2 -","- C16 H21 N O6 S2 -","- C64 H84 N4 O24 S8 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0601","0.0393","","","0.0856","0.1045","","","","","","0.999","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207639","8.6436","0.0016","14.894","0.003","17.462","0.003","90","","90","","90","","2248","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C84 H96 N16 O20 Zn4 -","4","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0785","0.0441","","","0.0906","0.1064","","","","","","1.043","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207654","16.7545","0.0015","9.866","0.0008","7.1799","0.0005","90","","90","","90","","1186.84","0.17","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","0.71073","MoKα","","0.078","0.0563","","","0.1149","0.1243","","","","","","1.05","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207663","15.8624","0.0019","13.5643","0.0015","7.336","0.0009","90","","90","","90","","1578.4","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Caffeine:4-fluoro-3nitroaniline","","","- C14 H15 F N6 O4 -","- C14 H15 F N6 O4 -","- C56 H60 F4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0568","0.0429","","","0.1106","0.1212","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207889","10.8666","0.0003","22.8858","0.0006","7.4246","0.0002","90","","90","","90","","1846.43","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-Phenyl-2,6-bis(2-thienyl)dithieno[3,2-b:2?3?-d]pyrrole","","- C22 H13 N S4 -","- C22 H13 N S4 -","- C88 H52 N4 S16 -","4","1","","Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C.","Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit.","Physical chemistry chemical physics : PCCP","2012","14","17","6101","6111","10.1039/c2cp40161d","","","1.54178","CuKα","","0.032","0.0306","","","0.0796","0.0809","","","","","","1.066","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207976","18.181","0.005","22.175","0.005","18.45","0.005","90","","90","","90","","7438","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H72 Cd3 N12 O20 S2 -","- C70 H60 Cd3 N12 O20 S2 -","- C280 H240 Cd12 N48 O80 S8 -","4","1","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71069","MoKα","","0.0538","0.0426","","","0.1208","0.1288","","","","","","1.021","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7208058","19.695","0.004","9.2506","0.0019","18.77","0.004","90","","90","","90","","3419.7","1.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H32 Cd2 N2 O17 S -","- C28 H32 Cd2 N2 O17 S -","- C112 H128 Cd8 N8 O68 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0311","0.0302","","","0.0659","0.0663","","","","","","1.094","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208123","10.1518","0.0019","5.3303","0.0011","21.945","0.004","90","","90","","90","","1187.5","0.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","Dibromotetrafluorobenzene Dimethyl sulfoxide","1,3-Dibromotetrafluorobenzene Dimethyl sulfoxide","","- C8 H6 Br2 F4 O S -","- C8 H6 Br2 F4 O S -","- C32 H24 Br8 F16 O4 S4 -","4","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0604","0.0412","","","0.0946","0.1341","","","","","","1.09","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208256","13.5482","0.0008","5.0245","0.0003","12.9394","0.0006","90","","90","","90","","880.82","0.08","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-actyamino-2-hydroxobenzoic acid","4-actyamino-2-hydroxobenzoic acid","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0415","0.0368","","","0.0913","0.0948","","","","","","1.055","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208308","24.274","0.004","16.062","0.003","8.8413","0.0016","90","","90","","90","","3447.1","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C134 H122 Br8 N24 O11 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0656","0.0398","","","0.0923","0.1023","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208309","24.058","0.009","15.927","0.007","8.73","0.004","90","","90","","90","","3345","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H27.6 Br2 N6 O2.8 Zn -","- C32 H27.6 Br2 N6 O2.8 Zn -","- C128 H110.4 Br8 N24 O11.2 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1371","0.0616","","","0.136","0.1607","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208510","18.6545","0.0008","12.6058","0.0005","21.7602","0.0009","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1559","0.1443","","","0.3535","0.3719","","","","","","1.632","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208606","14.50439","0.00092","13.62318","0.00093","7.14076","0.00026","90","","90","","90","","1410.99","0.14","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0174","","0.732","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208630","18.6244","0.0004","10.2696","0.0003","8.7992","0.0002","90","","90","","90","","1682.98","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H14 N8 O3 Zn -","- C14 H14 N8 O3 Zn -","- C56 H56 N32 O12 Zn4 -","4","1","","Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian","Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly","Journal of Materials Chemistry","2012","22","37","19732","","10.1039/c2jm34506d","","","0.71073","MoKα","","0.0304","0.0273","","","0.0679","0.0698","","","","","","1","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208631","18.6627","0.0005","10.5533","0.0004","8.9082","0.0003","90","","90","","90","","1754.5","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H17 N7 O3 Zn -","- C15 H17 N7 O3 Zn -","- C60 H68 N28 O12 Zn4 -","4","1","","Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian","Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly","Journal of Materials Chemistry","2012","22","37","19732","","10.1039/c2jm34506d","","","0.71073","MoKα","","0.0655","0.0585","","","0.1406","0.1453","","","","","","1.233","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208632","18.4474","0.0007","10.6981","0.0006","8.9454","0.0004","90","","90","","90","","1765.39","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H17 N7 O3 Zn -","- C16 H17 N7 O3 Zn -","- C64 H68 N28 O12 Zn4 -","4","1","","Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian","Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly","Journal of Materials Chemistry","2012","22","37","19732","","10.1039/c2jm34506d","","","0.71073","MoKα","","0.0496","0.039","","","0.0893","0.0936","","","","","","1.042","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208706","29.3128","0.0011","6.3013","0.0002","7.0793","0.0003","90","","90","","90","","1307.61","0.08","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0439","0.0342","","","0.0705","0.0723","","","","","","1.059","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208725","23.7034","0.0005","11.7726","0.0003","22.0772","0.0007","90","","90","","90","","6160.7","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H62 Cl2 N8 Ni O9 -","- C67 H62 Cl N8 Ni O5 -","- C268 H248 Cl4 N32 Ni4 O20 -","4","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","1.54184","CuKα","","0.0624","0.0573","","","0.1542","0.1606","","","","","","1.024","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208821","18.14","0.003","5.04","0.0009","19.369","0.003","90","","90","","90","","1770.8","0.5","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O S -","- C22 H18 N2 O S -","- C88 H72 N8 O4 S4 -","4","1","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.0757","0.0548","","","0.1413","0.1638","","","","","","1.136","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7209001","18.079","0.004","16.435","0.003","11.603","0.002","90","","90","","90","","3447.6","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H42 Li N3 O13 V -","- C30 H42 Li N3 O13 V -","- C120 H168 Li4 N12 O52 V4 -","4","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.1045","0.0609","","","0.1293","0.148","","","","","","1.004","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209025","21.0949","0.0017","10.5185","0.0008","3.8315","0.0004","90","","90","","90","","850.16","0.13","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0316","0.0299","","","0.0747","0.0759","","","","","","1.125","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209066","16.523","0.0001","15.9952","0.0003","5.4792","0.0003","90","","90","","90","","1448.09","0.08","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0425","0.0357","","","0.0911","0.096","","","","","","1.027","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209067","27.495","0.002","14.043","0.002","4.0898","0.0004","90","","90","","90","","1579.1","0.3","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0697","0.0428","","","0.0932","0.1057","","","","","","1.061","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209123","18.2266","0.0006","10.3496","0.0004","9.1663","0.0003","90","","90","","90","","1729.11","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H16 N8 O3 Zn -","- C11 H9 N7 O2 Zn -","- C44 H36 N28 O8 Zn4 -","4","1","","Yang, E.; Li, Hong-Yan; Wang, Fei; Yang, Hui; Zhang, Jian","Enhancing CO2 adsorption enthalpy and selectivity via amino functionalization of a tetrahedral framework material","CrystEngComm","2013","15","4","658","","10.1039/c2ce26612a","","","0.71073","MoKα","","0.0509","0.0412","","","0.0951","0.1002","","","","","","1.008","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209149","14.591","0.017","8.75","0.007","30.538","0.007","90","","90","","90","","3899","6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H22 Cl2 N4 O2 Pd S -","- C14 H22 Cl2 N4 O2 Pd S -","- C112 H176 Cl16 N32 O16 Pd8 S8 -","8","2","","de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina","Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks","CrystEngComm","2013","15","9","1762","","10.1039/c2ce26687c","","","0.71073","MoKα","","0.0548","0.0285","","","0.062","0.0697","","","","","","1.051","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209172","18.22","0.003","13.269","0.002","6.8783","0.0011","90","","90","","90","","1662.9","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Cd N8 O4 -","- C16 H10 Cd N8 O4 -","- C64 H40 Cd4 N32 O16 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0347","0.0278","","","0.057","0.0603","","","","","","1.02","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209190","24.244","0.001","8.5678","0.0005","20.654","0.001","90","","90","","90","","4290.2","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Ag Cl N4 O4 -","- C8 H12 Ag Cl N4 O4 -","- C96 H144 Ag12 Cl12 N48 O48 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.0432","0.0325","","","0.0656","0.0685","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209249","9.09","0.002","10.372","0.002","11.77","0.002","90","","90","","90","","1109.7","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","N,N'-diphenylurea","N,N'-diphenylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.044","0.054","","","","","2.348","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209375","15.024","","7.428","","10.533","","90","","90","","90","","1175.46","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ag8 (Si S4) S2","","- Ag8 S6 Si -","- Ag8 S6 Si -","- Ag32 S24 Si4 -","4","1","","Mandt, J.; Krebs, B.","Zur Kenntnis des Argyrodit-Strukturtyps: die Kristallstruktur von Ag8 Si S6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","373","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209656","9.7141","0.0019","7.23","0.0014","17.407","0.004","90","","90","","90","","1222.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0354","0.0345","","","0.0871","0.0882","","","","","","1.066","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7210120","13.567","0.003","11.779","0.002","11.206","0.002","90","","90","","90","","1790.8","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cu F4 N2 O4 -","- C20 H10 Cu F4 N2 O4 -","- C80 H40 Cu4 F16 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0413","0.0301","","","0.0563","0.0609","","","","","","1.049","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210121","14.162","0.003","13.601","0.003","10.898","0.002","90","","90","","90","","2099.1","0.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cl4 Cu N2 O4 -","- C20 H10 Cl4 Cu N2 O4 -","- C80 H40 Cl16 Cu4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0291","0.0239","","","0.054","0.0565","","","","","","1.029","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210158","14.0366","0.001","10.7686","0.0007","11.8026","0.0008","90","","90","","90","","1784","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0514","0.0434","","","0.0951","0.0989","","","","","","1.091","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210193","36.803","0.002","7.3345","0.0004","27.2815","0.0016","90","","90","","90","","7364.1","0.7","198","2","198","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H60 Ag3 F18 N16 O8 P7 -","- C56 H60 Ag3 F18 N16 O8 P7 -","- C224 H240 Ag12 F72 N64 O32 P28 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1245","0.0676","","","0.14","0.1702","","","","","","1.012","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210420","23.867","","18.177","","22.425","","90","","90","","90","","9728.65","","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H56.5 Cu6.5 N36 O44 Si W12 -","- C60 H26 Cu6.5 N36 O44 Si W12 -","- C240 H104 Cu26 N144 O176 Si4 W48 -","4","1","","Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang","Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties","CrystEngComm","2013","15","36","7199","","10.1039/c3ce41008k","","","0.71073","MoKα","","0.048","0.0424","","","0.0952","0.0979","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210430","15.4477","0.0008","15.7463","0.0008","6.4254","0.0003","90","","90","","90","","1562.94","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","KE14PCY13 4-HO-PhC(CN)=NOH, 2,3,5,6-Me4-pyridine-1-oxide","","- C16 H18 N4 O3 -","- C16 H18 N4 O3 -","- C64 H72 N16 O12 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0446","0.0384","","","0.1039","0.1095","","","","","","1.082","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210549","14.1795","0.0003","23.7646","0.0005","18.7113","0.0005","90","","90","","90","","6305.1","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H52.5 K1.5 O32 Zn5 -","- C54 H48 K1.5 O32 Zn5 -","- C216 H192 K6 O128 Zn20 -","4","1","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.0811","0.0557","","","0.1485","0.1674","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210552","24.0171","0.0011","10.0687","0.0005","18.5808","0.0008","90","","90","","90","","4493.2","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H35 Ag2 N9 O13 -","- C44 H32 Ag2 N9 O13 -","- C176 H128 Ag8 N36 O52 -","4","1","","Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics","CrystEngComm","2011","13","6","1752","","10.1039/c0ce00812e","","","0.71073","MoKα","","0.0732","0.0466","","","0.0866","0.1009","","","","","","1.141","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210556","12.7109","0.0003","9.5071","0.0003","12.7444","0.0004","90","","90","","90","","1540.08","0.08","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H10 Br F4 N3 -","- C15 H10 Br F4 N3 -","- C60 H40 Br4 F16 N12 -","4","1","","Saunders, Graham C.","On the importance of π‒π stacking and cation‒anion interactions in the construction of non-centrosymmetric networks of bromide salts of imidazolium cations bearing arene and polyfluoroarene rings","CrystEngComm","2011","13","6","1801","","10.1039/c1ce00003a","","","0.71073","MoKα","","0.0261","0.0214","","","0.0511","0.0528","","","","","","1.047","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210616","14.032","0.008","19.114","0.01","4.625","0.003","90","","90","","90","","1240.5","1.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0986","0.0469","","","0.1037","0.1272","","","","","","1.011","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210617","13.554","0.002","21.511","0.003","4.517","0.0007","90","","90","","90","","1317","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H16 N4 O3 -","- C11 H16 N4 O3 -","- C44 H64 N16 O12 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0561","0.0381","","","0.1036","0.118","","","","","","0.829","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7211066","14.327","0.002","17.039","0.003","6.49","0.0011","90","","90","","90","","1584.3","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H20 N O4 P -","- C15 H20 N O4 P -","- C60 H80 N4 O16 P4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0858","0.0797","","","0.1674","0.1706","","","","","","1.056","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211174","16.6224","0.0013","11.4498","0.0008","23.447","0.003","90","","90","","90","","4462.5","0.7","213","2","213","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co F6 N2 O4 P Zn -","- C22 H16 Co F6 N2 O4 P Zn -","- C176 H128 Co8 F48 N16 O32 P8 Zn8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0662","0.042","","","0.0802","0.0853","","","","","","0.83","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211175","16.541","0.0016","11.1592","0.0007","23.5962","0.0018","90","","90","","90","","4355.5","0.6","180","2","180","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co Cu F6 N2 O4 P -","- C22 H16 Co Cu F6 N2 O4 P -","- C176 H128 Co8 Cu8 F48 N16 O32 P8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0748","0.0523","","","0.1232","0.1327","","","","","","0.953","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211209","6.8211","0.0005","14.4139","0.0011","19.7918","0.0016","90","","90","","90","","1945.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.4859","","","0.071","0.038","","","","0.038","","","","","","1.173","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211214","6.812","0.003","14.403","0.005","19.79","0.007","90","","90","","90","","1941.7","1.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","neutron","","neutron","","0.0695","0.0695","","","0.1783","0.1783","","","","","","1.049","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211564","21.648","0.007","3.594","0.003","9.704","0.003","90","","90","","90","","755","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-nitrobenzohydrazide","4-nitrobenzohydrazide","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71069","MoKα","","0.0634","0.0393","","","0.0788","0.0866","","","","","","1.027","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211743","18.8558","0.0019","6.5831","0.0007","18.7543","0.0019","90","","90","","90","","2328","0.4","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 Ce2 N2 O19 S -","- C14 H20 Ce2 N2 O19 S -","- C56 H80 Ce8 N8 O76 S4 -","4","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0267","0.0234","","","0.0502","0.052","","","","","","1.065","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211783","17.1458","0.0009","9.6805","0.0005","15.0694","0.0008","90","","90","","90","","2501.2","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 I3 N3 O8 Pb -","- C18 H18 I3 N3 O8 Pb -","- C72 H72 I12 N12 O32 Pb4 -","4","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0327","0.0309","","","0.0724","0.0735","","","","","","1.028","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211829","14.6536","0.0008","22.5764","0.0012","5.3987","0.0003","90","","90","","90","","1786.03","0.17","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.0917","0.06","","","0.147","0.1687","","","","","","1.1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211940","10.4056","0.0016","22.888","0.004","4.6392","0.0009","90","","90","","90","","1104.9","0.3","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Glutaric acid & 1,2-dimethylimidazole","Glutaric acid & 1,2-dimethylimidazole","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1159","0.0748","","","0.1862","0.2082","","","","","","1.081","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211945","11.4966","0.0019","18.702","0.003","3.9535","0.0005","90","","90","","90","","850","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Malonic Acid and 2-Methylimidazole","Malonic Acid and 2-Methylimidazole","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1277","0.0802","","","0.1212","0.1429","","","","","","1.163","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212082","29.719","0.005","7.4493","0.0013","7.5474","0.0013","90","","90","","90","","1670.9","0.5","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H12 Cd N4 O5 S -","- C15 H12 Cd N4 O5 S -","- C60 H48 Cd4 N16 O20 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0531","0.0431","","","0.1179","0.126","","","","","","1.07","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212085","31.025","0.005","7.5923","0.0013","15.377","0.003","90","","90","","90","","3622.1","1.1","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H24 Cd2 N8 O10 S2 -","- C32 H24 Cd2 N8 O10 S2 -","- C128 H96 Cd8 N32 O40 S8 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0714","0.0459","","","0.1166","0.1265","","","","","","0.994","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212507","17.267","0.004","8.764","0.0018","11.006","0.002","90","","90","","90","","1665.5","0.6","295","2","295","2","","","1230000","","","","","3","P n a 21","P 2c -2n","33","pyridine","pyridine","","- C5 H5 N -","- C5 H5 N -","- C80 H80 N16 -","16","4","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.1611","0.0997","","","0.196","0.2302","","","","","","1.145","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212640","16.7813","0.0007","12.3488","0.0005","19.8304","0.0008","90","","90","","90","","4109.4","0.3","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H29 Co F18 N7 O2 P3 -","- C34 H29 Co F18 N7 O2 P3 -","- C136 H116 Co4 F72 N28 O8 P12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0573","0.0442","","0.0557","0.048","0.048","","","","","","1.1536","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212644","16.3767","0.0006","12.2742","0.0004","19.5992","0.0007","90","","90","","90","","3939.7","0.2","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H23 Cl2 Co F18 N7 P3 -","- C32 H23 Cl2 Co F18 N7 P3 -","- C128 H92 Cl8 Co4 F72 N28 P12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0341","0.0309","","0.039","0.0364","0.0356","","","","","","1.0876","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212656","8.849","0.0007","13.869","0.001","10.818","0.0008","90","","90","","90","","1327.66","0.17","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H14 N2 O8 P2 Zn -","- C6 H11 N2 O8 P2 Zn -","- C24 H44 N8 O32 P8 Zn4 -","4","1","","Feng, Jing-Dong; Tang, Shu-Wei; Shao, Kui-Zhan; Wang, Rong-Shun; Yao, Chan; Xie, Hai-Ming; Su, Zhong-Min","Helical channels, low framework density and structure-directing effect: a novel non-centrosymmetric zinc phosphate NIS-4 prepared by ionothermal reaction","CrystEngComm","2010","12","11","3448","","10.1039/c002882g","","","0.71069","MoKα","","0.0258","0.0245","","","0.0658","0.0663","","","","","","1.073","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7213024","12.749","0.002","16.163","0.002","10.624","0.002","90","","90","","90","","2189.2","0.6","296.2","","296.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C100 H108 N4 O24 -","4","1","","Ikeda, Masazumi; Hamada, Masahiro; Yamashita, Takashi; Matsui, Katsuaki; Sato, Tatsunori; Ishibashi, Hiroyuki","Stereoselective synthesis of (3R*,3aS*,7aS*)-3-aryloctahydroindol-2-ones using radical cyclisation: a formal synthesis of (±)-pancracine","Journal of the Chemical Society, Perkin Transactions 1","1999","","14","1949","","10.1039/a900467j","","","1.5418","CuKα","","0.0369","0.0369","","","0.0584","0.0584","","","","","","1.385","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213033","5.44","0.001","5.413","0.001","23.74","0.005","90","","90","","90","","699.1","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Bi2 O9 W2 -","- Bi2 O9 W2 -","- Bi8 O36 W8 -","4","1","","Champarnaud-Mesjard, Jean-Claude; Frit, Bernard; Watanabe, Akiteru","Crystal structure of Bi2W2O9, the n=2 member of the homologous series (Bi2O2)BVInO3n+1 of cation-deficient Aurivillius phases","Journal of Materials Chemistry","1999","9","6","1319","","10.1039/a900992b","","","0.71073","MoKα","","0.0696","0.0458","","","0.0925","0.1002","","","","","","1.037","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213135","13.055","0.004","5.5116","0.0014","21.84","0.005","90","","90","","90","","1571.5","0.7","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H6 N2 O -","- C10 H6 N2 O -","- C80 H48 N16 O8 -","8","2","","McNab, Hamish; Parsons, Simon; Stevenson, Elizabeth","Pyrolytic cascades: a convenient entry to 5H-pyrrolo[2,1-a]isoindol-5-ones and related heterocyclic systems","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2047","","10.1039/a904885e","","","1.54178","CuKα","","0.0411","0.0343","","","0.0866","0.0909","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213256","9.9569","0.0003","20.4211","0.0008","4.6421","0.0002","90","","90","","90","","943.88","0.06","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H9 F N2 O3 -","- C9 H9 F N2 O3 -","- C36 H36 F4 N8 O12 -","4","1","","O’Hagan, David; Bilton, Clair; Howard, Judith A. K.; Knight, Lee; Tozer, David J.","The preferred conformation of N-β-fluoroethylamides. Observation of the fluorine amide gauche effect","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","605","","10.1039/b000205o","","","0.71073","MoKα","","0.0799","0.048","","","0.1197","0.1374","","","","","","0.909","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213273","23.1803","0.0015","10.1436","0.0003","14.6585","0.0007","90","","90","","90","","3446.7","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H34 Ca Cl2 N6 O16 -","- C26 H34 Ca Cl2 N6 O16 -","- C104 H136 Ca4 Cl8 N24 O64 -","4","1","","Szumna, Agnieszka; Gryko, Daniel T.; Jurczak, Janusz","Calcium complexes of macrocyclic lactams: their structure and calcium induced conformational changes","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1553","","10.1039/b000966k","","","1.54178","CuKα","","0.0859","0.0743","","","0.173","0.1971","","","","","","1.17","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213385","16.318","0.001","10.782","0.001","10.295","0.001","90","","90","","90","","1811.3","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-nitrobenzenesulfonyl azide","","- C6 H4 N4 O4 S -","- C6 H4 N4 O4 S -","- C48 H32 N32 O32 S8 -","8","2","","Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos","Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1798","","10.1039/b004337k","","","0.71073","MOkα","","0.0579","0.0338","","","0.0845","0.0911","","","","","","0.919","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213578","23.327","0.003","21.115","0.003","9.7462","0.0014","90","","90","","90","","4800.5","1.1","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H35 Co Mo5 N6 O23 P2 -","- C38 H32 Co Mo5 N6 O23 P2 -","- C152 H128 Co4 Mo20 N24 O92 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0494","0.0395","","","0.0864","0.0903","","","","","","1.03","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213745","6.3407","0.0001","16.6106","0.0004","14.4754","0.0003","90","","90","","90","","1524.59","0.05","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C60 H48 Br4 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.057","0.0565","","","0.1507","0.152","","","","","","1.039","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213790","28.334","0.006","13.063","0.003","6.7989","0.0014","90","","90","","90","","2516.5","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Mn N5 O9 -","- C25 H27 Mn N5 O9 -","- C100 H108 Mn4 N20 O36 -","4","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.051","0.0435","","","0.0958","0.1107","","","","","","1.032","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213909","34.484","0.01","20.624","0.006","23.922","0.007","90","","90","","90","","17013","9","113","","113","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C140 H171 Cl8 Co16 N48 O41.5 -","- C124 H81 Cl8 Co16 N48 O16 -","- C496 H324 Cl32 Co64 N192 O64 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.0905","0.0758","","","0.184","0.1961","","","","","","1.012","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7214128","11.0906","0.0003","14.6981","0.0005","7.6029","0.0008","90","","90","","90","","1239.35","0.14","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","(pa)2(ox)","1-propylammonium oxalate","","- C8 H20 N2 O4 -","- C8 H20 N2 O4 -","- C32 H80 N8 O16 -","4","1","","Qi, Feng; Stein, Robin S.; Friščić, Tomislav","Mimicking mineral neogenesis for the clean synthesis of metal‒organic materials from mineral feedstocks: coordination polymers, MOFs and metal oxide separation","Green Chemistry","2014","16","1","121","","10.1039/c3gc41370e","","","0.71073","MoKα","","0.1177","0.0807","","","0.2215","0.2622","","","","","","1.05","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214134","12.8093","0.0014","13.1563","0.0012","7.4708","0.0008","90","","90","","90","","1259","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","pyridinium-4-carboxamide 2,4,6-trihydroxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Stevens, Joanna S.; Byard, Stephen J.; Seaton, Colin C.; Sadiq, Ghazala; Davey, Roger J.; Schroeder, Sven L. M.","Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.","Physical chemistry chemical physics : PCCP","2014","16","3","1150","1160","10.1039/c3cp53907e","","","0.71073","MoKα","","0.0658","0.0391","","","0.0823","0.1321","","","","","","0.991","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214219","8.2063","0.0005","8.2062","0.0005","9.3823","0.001","90","","90","","90","","631.83","0.09","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 Mn O5 -","- C4 H6 Mn O5 -","- C16 H24 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0312","0.0244","","","0.0438","0.0456","","","","","","1.108","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214618","9.586","0.003","10.369","0.005","12.306","0.008","90","","90","","90","","1223.2","1.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1442","0.0701","","","0.1347","0.1613","","","","","","1.044","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214804","21.363","0.002","10.5184","0.0011","20.465","0.002","90","","90","","90","","4598.6","0.8","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H30 Cd2 N8 O11 -","- C47 H26 Cd2 N8 O11 -","- C188 H104 Cd8 N32 O44 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0924","0.0516","","","0.1193","0.1391","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214842","21.8619","0.0015","15.0658","0.0009","3.9918","0.0003","90","","90","","90","","1314.77","0.16","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-aminopyridinium_5-methoxysalicylate_monohydrate","4-aminopyridinium_5-methoxysalicylate_monohydrate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0716","0.0472","","","0.1007","0.1128","","","","","","1.041","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214948","9.29","0.007","31.04","0.02","4.981","0.004","90","","90","","90","","1436.3","1.8","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","Form 2 of 1:1 nicotinamide and pimelic acid","Form 2 of 1:1 nicotinamide and pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid","CrystEngComm","2012","14","23","8193","","10.1039/c2ce26151k","","","0.71075","MoKα","","0.0928","0.0792","","","0.2012","0.2164","","","","","","1.114","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215237","9.6655","0.0009","20.3062","0.0016","24.3648","0.0019","90","","90","","90","","4782.1","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H34 Ag3 Cl7 N6 -","- C47 H34 Ag3 Cl7 N6 -","- C188 H136 Ag12 Cl28 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.1014","0.0631","","","0.099","0.1159","","","","","","1.041","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215238","9.681","0.002","20.34","0.005","23.673","0.005","90","","90","","90","","4661.5","1.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H35 Ag3 Cl3 N7 -","- C52 H35 Ag3 Cl3 N7 -","- C208 H140 Ag12 Cl12 N28 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0807","0.061","","","0.0679","0.0731","","","","","","1.074","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215261","10.8408","0.0005","21.2412","0.0011","4.8537","0.0002","90","","90","","90","","1117.67","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 I N2 O -","- C12 H9 I N2 O -","- C48 H36 I4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0431","0.0341","","","0.0731","0.0782","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215310","7.546","0.0015","10.948","0.002","7.804","0.0016","90","","90","","90","","644.7","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H6 N O3 P -","- C5 H6 N O3 P -","- C20 H24 N4 O12 P4 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0254","0.0209","","","0.0516","0.0531","","","","","","0.955","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215470","6.8211","0.0005","14.4139","0.0011","19.7918","0.0016","90","","90","","90","","1945.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.4859","","","0.071","0.038","","","","0.038","","","","","","1.173","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215664","17.4929","0.0014","4.7791","0.0004","10.1101","0.0008","90","","90","","90","","845.21","0.12","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","Creatine formic acid solvate","","","- C5 H11 N3 O4 -","- C5 H11 N3 O4 -","- C20 H44 N12 O16 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","","","0.71073","MoKα","","0.0595","0.0397","","","0.0831","0.0934","","","","","","1.013","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215669","12.8093","0.0014","13.1563","0.0012","7.4708","0.0008","90","","90","","90","","1259","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","pyridinium-4-carboxamide 2,4,6-trihydroxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0588","0.0352","","","0.0453","0.0482","","","","","","0.825","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215885","15.0914","0.0002","16.7363","0.0003","13.0708","0.0003","90","","90","","90","","3301.35","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 N6 O13 Tb -","- C30 H35 N6 O13 Tb -","- C120 H140 N24 O52 Tb4 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0354","0.0297","","","0.0655","0.0666","","","","","","1.052","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215886","15.1122","0.0002","16.7251","0.0002","13.2575","0.0002","90","","90","","90","","3350.87","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 Ce N6 O13 -","- C30 H35 Ce N6 O13 -","- C120 H140 Ce4 N24 O52 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0318","0.0289","","","0.0683","0.0692","","","","","","0.997","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7216051","7.5958","0.0002","19.748","0.0014","11.251","0.0003","90","","90","","90","","1687.67","0.14","296","","296","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0993","","","","0.3082","","","","","","1.031","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216190","10.7543","0.0001","15.5103","0.0002","22.9109","0.0004","90","","90","","90","","3821.59","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 Cd2 Cl2 N16 O9 -","- C26 H26 Cd2 Cl2 N16 O9 -","- C104 H104 Cd8 Cl8 N64 O36 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0905","0.0441","","","0.109","0.1221","","","","","","0.95","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216492","14.8642","0.0011","18.5544","0.0015","4.7094","0.0004","90","","90","","90","","1298.84","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","none","4-aminobenzoic acid + 2-acetaminopyridine","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0422","0.0329","","","0.0742","0.0788","","","","","","1.036","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216634","17.5215","0.0006","11.4158","0.0004","6.7943","0.0002","90","","90","","90","","1359.01","0.08","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H14 Ca Cl2 N2 O5 -","- C6 H6 Ca Cl2 N2 O5 -","- C24 H24 Ca4 Cl8 N8 O20 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","0.03117","1.46","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7216822","18.006","0.001","15.3229","0.0009","20.969","0.001","90","","90","","90","","5785.4","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25.5 H26 I N9 O3.5 Zn -","- C25.5 H12 I N9 O3.5 Zn -","- C204 H96 I8 N72 O28 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1367","0.0931","","","0.2607","0.2969","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216897","18.942","0.004","20.515","0.003","4.6558","0.001","90","","90","","90","","1809.2","0.6","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C21 H20 N4 O -","- C21 H20 N4 O -","- C84 H80 N16 O4 -","4","1","","Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2669","","10.1039/b104918f","","x-ray","1.54178","CuKα","","0.1883","0.085","","","0.1656","0.2121","","","","","","1.07","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216943","12.1709","0.0012","21.173","0.003","8.651","0.0007","90","","90","","90","","2229.3","0.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H31 F3 O3 P2 S -","- C20 H31 F3 O3 P2 S -","- C80 H124 F12 O12 P8 S4 -","4","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David","Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","288","","10.1039/b009007g","","","0.71073","MoKα","","0.0326","0.0303","","","0.0843","0.0855","","","","","","1.045","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216999","19.0064","0.0019","24.517","0.002","4.6956","0.0005","90","","90","","90","","2188.1","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H16 Cd N0 O8 -","- C23 H16 Cd O8 -","- C92 H64 Cd4 O32 -","4","1","","zhang, xiutang; Fan, Liming; Song, Weikuo; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, Structures, and Luminescence Properties of Four Metal-Organic Polymers With Undocumented Topologies Constructed From 3,5-Bis((4'-carboxylbenzyl)oxy)benzoate Ligand","RSC Advances","2014","","","","","10.1039/c4ra04707a","","","0.71073","MoKα","","0.0778","0.068","","","0.2271","0.24","","","","","","1.002","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7217010","13.399","0.0016","15.3179","0.0018","13.9012","0.0017","90","","90","","90","","2853.1","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H38 N4 O2 -","- C35 H38 N4 O2 -","- C140 H152 N16 O8 -","4","1","","Biswal, Biswonath; Bag, Bamaprasad","Switching selectivity between Pb2+ and Hg+2 ions through variation of substituents at xanthene end; ‘turn-on’ signalling responses by FRET modulation","RSC Advances","2014","","","","","10.1039/c4ra04152f","","","0.71073","MoKα","","0.188","0.0882","","","0.1827","0.2291","","","","","","0.997","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217015","9.2458","0.0009","10.3523","0.001","4.0389","0.0005","90","","90","","90","","386.58","0.07","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ba Cu2 S2 -","- Ba Cu2 S2 -","- Ba4 Cu8 S8 -","4","1","","Ma, Zhimin; Weng, Fan; Wang, Qiuran; Tang, Qun; Zhang, Ganghua; Chong, Zheng; Han, Ray P.S.; Huang, Fu Qiang","Low Temperature Synthesis and Structures of the Alkaline Earth Metal Chalcogenides Ba3Cu4SbS6OH, BaCuSbS3 and BaCu2S2","RSC Advances","2014","","","","","10.1039/c3ra46878j","","","0.71073","MoKα","","0.0354","0.0282","","","0.0671","0.072","","","","","","1.063","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217129","9.37","0.02","9.34","0.02","15.72","0.04","90","","90","","90","","1376","5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-dimethylamino-8-isopropylnaphthalene 8","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.6889","","","0.0492","0.0476","","","0.1335","0.1347","","","","","","1.214","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217621","19.7591","0.0003","34.5783","0.0004","9.5257","0.0002","90","","90","","90","","6508.3","0.18","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H34 S4 -","- C40 H34 S4 -","- C320 H272 S32 -","8","2","","Singh Virk, Tarunpreet; Singh, Kamaljit; Qin, Yunke; Xu, Wei; Zhu, Daoben","Sulphur bridged [22]annulene[2.1.2.1]s based organic field-effect transistors: Interplay of the steric bulk and charge transport","RSC Advances","2014","","","","","10.1039/C4RA07221A","","","1.5418","CuKα","","0.0407","0.0387","","","0.1022","0.1048","","","","","","1.014","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7217669","24.1672","0.0015","4.0091","0.0002","17.5905","0.0012","90","","90","","90","","1704.32","0.18","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H13 Br2 N O -","- C23 H13 Br2 N O -","- C92 H52 Br8 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.039","0.0348","","","0.0737","0.0752","","","","","","1.039","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217685","18.8991","0.0014","15.5229","0.0011","9.0702","0.0007","90","","90","","90","","2660.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 Er2 N2 O16 -","- C24 H22 Er2 N2 O16 -","- C96 H88 Er8 N8 O64 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0233","0.0228","","","0.0543","0.0546","","","","","","1.001","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217686","18.825","0.014","15.373","0.011","9.047","0.007","90","","90","","90","","2618","3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Yb2 -","- C24 H22 N2 O16 Yb2 -","- C96 H88 N8 O64 Yb8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0403","0.0376","","","0.0614","0.0621","","","","","","0.997","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217687","19.116","0.007","15.714","0.006","9.069","0.004","90","","90","","90","","2724.2","1.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Sm2 -","- C24 H22 N2 O16 Sm2 -","- C96 H88 N8 O64 Sm8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0297","0.0282","","","0.067","0.0676","","","","","","0.998","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217778","29.3416","0.0018","6.3038","0.0004","7.0814","0.0004","90","","90","","90","","1309.8","0.14","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","StrontiumMOF","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0422","0.0297","","","0.0809","0.111","","","","","","1.146","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217848","13.6982","0.0005","18.1868","0.0007","7.6277","0.0003","90","","90","","90","","1900.26","0.13","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","dichlorido-(N,N-diethyl-1-ferrocenyl-3-thiabutanamine)palladium(II)","","- C17 H25 Cl2 Fe N Pd S -","- C17 H25 Cl2 Fe N Pd S -","- C68 H100 Cl8 Fe4 N4 Pd4 S4 -","4","1","","Damljanovic, Ivan; Stevanovic, Dragana; Pejovic, Anka; Ilic, Danijela; Zivkovic, Marija; Jovanovic, Jovana; Vukicevic, Mirjana; Radulović, Niko S; Bogdanovic, Goran A.; Vukicevic, Rastko D.","The palladium(II) complex of N,N-diethyl-1-ferrocenyl-3-thiabutanamine: synthesis, solution and solid state structure and catalytic activity in Suzuki-Miyaura reaction","RSC Adv.","2014","","","","","10.1039/C4RA08140D","","","0.71073","MoKα","","0.0634","0.0571","","","0.1423","0.1465","","","","","","1.139","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217877","23.991","0.004","8.3841","0.0013","25.825","0.004","90","","90","","90","","5194.5","1.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H31 N9 -","- C26 H31 N9 -","- C208 H248 N72 -","8","2","","Mani, Ganesan; Ghorai, Debasish","Unsubstituted Quinoidal Pyrrole and its Reaction with Oxygen, Charge Transfer and Palladium(II) Complexes via DDQ Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA07808J","","","0.71073","MoKα","","0.222","0.0994","","","0.1646","0.213","","","","","","1.112","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218165","14.6526","0.0012","10.0981","0.0009","16.1913","0.0013","90","","90","","90","","2395.7","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H20 Cd N4 O6 -","- C27 H20 Cd N4 O6 -","- C108 H80 Cd4 N16 O24 -","4","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0611","0.0365","","","0.0618","0.0691","","","","","","1.01","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218177","10.4858","0.0003","18.8309","0.0006","4.813","0.0002","90","","90","","90","","950.36","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0386","0.0319","","","0.0731","0.0784","","","","","","1.08","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218181","19.4138","0.0015","17.3697","0.0014","10.4512","0.0008","90","","90","","90","","3524.3","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","4:morpholine 1/1 solvate","","","- C32 H41 Br2 F4 N7 O5 -","- C32 H41 Br2 F4 N7 O5 -","- C128 H164 Br8 F16 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0906","0.0487","","","0.0879","0.1009","","","","","","1.016","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218182","19.6801","0.0013","17.4108","0.0011","10.6952","0.0007","90","","90","","90","","3664.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","5:morpholine 1/1 solvate","","","- C32 H41 F4 I2 N7 O5 -","- C32 H41 F4 I2 N7 O5 -","- C128 H164 F16 I8 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0541","0.0386","","","0.069","0.0739","","","","","","1.029","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218263","16.581","0.005","11.236","0.005","14.597","0.005","90","0.005","90","0.005","90","0.005","2719.5","1.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C124 H116 N4 O8 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.1184","0.0975","","","0.2822","0.3089","","","","","","1.199","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218387","17.511","0.014","8.066","0.006","26.88","0.02","90","","90","","90","","3797","5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H14 F3 N3 O2 -","- C22 H14 F3 N3 O2 -","- C176 H112 F24 N24 O16 -","8","2","","Qian, Zhiwei; Yang, Anjiang; Yu, Ting; Ma, Lanping; Wang, Xin; Zhang, Yongliang; Shen, Jingkang; Meng, Tao","An efficient synthesis of novel dibenzoxdiazepine-fused heterocycles through multicomponent reaction","RSC Adv.","2014","","","","","10.1039/C4RA09196E","","","0.71073","MoKα","","0.1518","0.0647","","","0.1095","0.1333","","","","","","1.035","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218615","9.2703","0.0014","13.966","0.002","14.65","0.002","90","","90","","90","","1896.7","0.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H18 Cd N4 O4 S -","- C17 H18 Cd N4 O4 S -","- C68 H72 Cd4 N16 O16 S4 -","4","1","","Xue, Li-Ping; Chang, xinhong; Ma, Lufang; Wang, Liya","Four d10 metal coordination polymers based on bis(2-methyl imidazole) spacers: syntheses, interpenetrating structures and photoluminescence properties","RSC Adv.","2014","","","","","10.1039/C4RA10331A","","","0.71073","MoKα","","0.0387","0.0302","","","0.0556","0.0574","","","","","","1.072","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218616","9.4781","0.001","13.8347","0.0014","15.4666","0.0016","90","","90","","90","","2028.1","0.4","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H18 Cd N3 O4 S -","- C19 H18 Cd N3 O4 S -","- C76 H72 Cd4 N12 O16 S4 -","4","1","","Xue, Li-Ping; Chang, xinhong; Ma, Lufang; Wang, Liya","Four d10 metal coordination polymers based on bis(2-methyl imidazole) spacers: syntheses, interpenetrating structures and photoluminescence properties","RSC Adv.","2014","","","","","10.1039/C4RA10331A","","","0.71073","MoKα","","0.0276","0.0244","","","0.0602","0.0627","","","","","","1.026","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218894","19.1237","0.0003","14.4603","0.0002","30.6247","0.0004","90","","90","","90","","8468.8","0.2","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Dy2 N5 O26 -","- C84 H81 Dy2 N5 O26 -","- C336 H324 Dy8 N20 O104 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0449","0.0388","","","0.0935","0.0974","","","","","","1.053","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218989","26.5772","0.0004","11.8718","0.0002","12.8742","0.0002","90","","90","","90","","4062.06","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26.5 H18 Cl N O3 -","- C26.5 H18 Cl N O3 -","- C212 H144 Cl8 N8 O24 -","8","2","","Chamas, Zein; Marchi, Enrico; Presson, Benjamin; Aubert, Emmanuel; Fort, Yves; Ceroni, Paola; Mamane, Victor","Synthesis and Solid-state Fluorescence Properties of Pentacyclic 7-Substituted-indeno[1’,2’:4,5]pyrido[2,1-a]isoindol-5-ones","RSC Adv.","2014","","","","","10.1039/C4RA12155D","","","1.5418","CuKα","","0.0356","0.0347","","","0.0952","0.0961","","","","","","1.04","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7219024","22.4355","0.0013","12.3522","0.0006","15.3459","0.0007","90","","90","","90","","4252.8","0.4","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H66 Cl N O11 -","- C42 H56 Cl N O8 -","- C168 H224 Cl4 N4 O32 -","4","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","0.71073","MoKα","","0.113","0.0793","","","0.1485","0.1652","","","","","","1.018","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219076","12.9012","0.0013","14.0247","0.0014","7.0282","0.0007","90","","90","","90","","1271.7","0.2","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd2 N5 O6 S -","- C7 H9 Cd2 N5 O6 S -","- C28 H36 Cd8 N20 O24 S4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0198","0.0192","","","0.0464","0.047","","","","","","1.089","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219086","17.8916","0.0015","19.6745","0.0017","19.088","0.002","90","","90","","90","","6719.1","1.1","123","","123","","","","","","","","M.Klein","7","P n a 21","P 2c -2n","33","","","","- C58 H60 Cl12 Co N8 O2 S2 -","- C58 H60 Cl12 Co N8 O2 S2 -","- C232 H240 Cl48 Co4 N32 O8 S8 -","4","1","","Maximilian Klein, Y.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro","A 3-dimensional {42·84}lvtnet built from a ditopic bis(3,2′:6′,3″-terpyridine) tecton bearing long alkyl tails","CrystEngComm","2015","17","10","2070","","10.1039/C4CE02347A","","","1.54178","CuKα","","0.1464","0.1343","","0.3268","0.317","0.3268","","","","","","1.0827","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219252","14.015","0.004","17.35","0.006","7.95","0.002","90","","90","","90","","1933.1","1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","14-(4-methylphenyl)-7,14-dihydro-dibenzo[a,j]xanthene","","- C28 H20 O -","- C28 H20 O -","- C112 H80 O4 -","4","1","","Das, Jupitara; Das, Pranab Jyoti","Secondary amine based ionic liquid: an efficient catalyst for solvent free one pot synthesis of xanthenes and benzoxanthenes","RSC Adv.","2015","","","","","10.1039/C4RA12298D","","","0.71073","MoKα","","0.1146","0.0607","","","0.1219","0.1422","","","","","","1.082","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219306","20.6261","0.0008","14.7505","0.0006","8.7896","0.0003","90","","90","","90","","2674.19","0.18","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H25 Cl2 Cu N3 O -","- C27 H23 Cl2 Cu N3 O -","- C108 H92 Cl8 Cu4 N12 O4 -","4","1","","Yuan, Zeli; Shen, Xiaomin; Huang, Jiandong","Syntheses, crystal structures and antimicrobial activities of Cu(ii), Ru(ii), and Pt(ii) compounds with an anthracene-containing tripodal ligand","RSC Adv.","2015","5","14","10521","","10.1039/C4RA09168J","","","0.71073","MoKα","","0.0426","0.0392","","","0.1405","0.1438","","","","","","1.171","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219329","33.76","0.03","8.427","0.006","14.421","0.011","90","","90","","90","","4103","6","100","2","99.92","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H28 Br3 F I N -","- C13 H28 Br3 F I N -","- C104 H224 Br24 F8 I8 N8 -","8","2","","Rosokha, Sergiy V.; Traversa, Alfredo","From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.","Physical chemistry chemical physics : PCCP","2015","17","7","4989","4999","10.1039/c4cp05220j","","","0.71073","MoKα","","0.0343","0.0283","","","0.0578","0.0596","","","","","","1.047","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219652","13.8899","0.0018","24.389","0.003","3.6682","0.0004","90","","90","","90","","1242.6","0.3","35","2","35","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,3-bis(4-nitrophenyl)urea","","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.0429","0.0424","","","0.1101","0.111","","","","","","1.133","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219698","19.0994","0.0002","14.41797","0.00017","30.593","0.0005","90","","90","","90","","8424.53","0.19","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Ho2 N5 O26 -","- C84 H75 Ho2 N5 O26 -","- C336 H300 Ho8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.042","0.0348","","","0.0848","0.0897","","","","","","1.056","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219699","19.0983","0.0003","14.4221","0.0003","30.556","0.001","90","","90","","90","","8416.3","0.4","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Er2 N5 O26 -","- C84 H81 Er2 N5 O26 -","- C336 H324 Er8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0612","0.0423","","","0.093","0.1022","","","","","","1.045","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219700","19.08923","0.00019","14.38724","0.00017","30.5462","0.0004","90","","90","","90","","8389.25","0.17","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 N5 O26 Yb2 -","- C84 H74 N5 O26 Yb2 -","- C336 H296 N20 O104 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0478","0.0408","","","0.094","0.0981","","","","","","1.043","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219719","12.4376","0.0002","21.0096","0.0004","4.22389","0.00008","90","","90","","90","","1103.74","0.03","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(mbtt)IBr]","[(N-methylbenzothiazole-2-thione)IBr]","","- C8 H7 Br I N S2 -","- C8 H7 Br I N S2 -","- C32 H28 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0326","0.0314","","","0.0713","0.0721","","","","","","1.033","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219788","13.5286","0.0009","3.7803","0.0003","21.0471","0.0012","90","","90","","90","","1076.39","0.13","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0377","","","0.098","0.1006","","","","","","1.073","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219818","17.5644","0.0003","34.1856","0.0004","13.3561","0.0002","90","","90","","90","","8019.7","0.2","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H91 Cl4 N12 O29.5 Zn4 -","- C68 H80 Cl4 N12 O29.5 Zn4 -","- C272 H320 Cl16 N48 O118 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0646","0.0626","","","0.1652","0.1672","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219821","14.1032","0.0002","17.771","0.0002","15.8877","0.0002","90","","90","","90","","3981.9","0.09","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cl2 Cu2 N6 O16 -","- C34 H44 Cl2 Cu2 N6 O16 -","- C136 H176 Cl8 Cu8 N24 O64 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0576","0.0565","","","0.1558","0.1573","","","","","","1.026","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219882","24.794","0.005","5.846","0.003","21.572","0.004","90","","90","","90","","3126.8","1.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-Ferrocenyl-2-[4-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C144 H120 Cl8 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0891","0.0443","","","0.0561","0.0637","","","","","","0.756","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219888","28.207","0.004","21.63","0.003","10.2634","0.0012","90","","90","","90","","6261.9","1.4","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H32 Fe2 N2 O5 S2 -","- C30 H32 Fe2 N2 O5 S2 -","- C240 H256 Fe16 N16 O40 S16 -","8","2","","Wang, Yanhong; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Sheng, Liao","Synthesis, Characterization, Electrochemical Properties and Catalytic Reactivity of the N-Heterocyclic Carbene-Containing Diiron Complexes","RSC Adv.","2015","","","","","10.1039/C4RA15150J","","","0.71075","MoKα","","0.0847","0.0668","","","0.1445","0.1549","","","","","","1.077","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7220115","7.48","0.009","15.997","0.018","12.467","0.018","90","","90","","90","","1492","3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H20 Cl Cu N O4 -","- C13 H20 Cl Cu N O4 -","- C52 H80 Cl4 Cu4 N4 O16 -","4","1","","Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna","DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions","RSC Adv.","2015","","","","","10.1039/C5RA00623F","","","0.71073","MoKα","","0.1095","0.0676","","","0.1605","0.1968","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220135","15.8793","0.0019","16.956","0.002","7.1252","0.0009","90","","90","","90","","1918.5","0.4","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H13 N7 O6 Zn -","- C19 H13 N7 O6 Zn -","- C76 H52 N28 O24 Zn4 -","4","1","","Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.","Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies","RSC Adv.","2015","","","","","10.1039/C5RA06197K","","","0.71073","MoKα","","0.0186","0.0182","","","0.0502","0.0504","","","","","","1.06","","","","has coordinates","135730","2020-10-21","18:00:00",""
"7220162","20.4342","0.0009","7.8263","0.0003","13.0107","0.0007","90","","90","","90","","2080.73","0.17","293","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H10 Cl3 Eu N6 O6 -","- C10 H10 Cl3 Eu N6 O6 -","- C40 H40 Cl12 Eu4 N24 O24 -","4","1","","Machado, Kelly; Mukhopadhyay, Suman; Videira, Romeu A.; Mishra, Jaya; Mobin, Shaikh M.; Mishra, Gopal S.","Polymer encapsulated scorpionate Eu3+complexes as novel hybrid materials for high performance luminescence applications","RSC Adv.","2015","5","45","35675","","10.1039/C5RA02866C","","","0.71073","MoKα","","0.0515","0.0425","","","0.1033","0.1132","","","","","","1.089","","","","has coordinates","135738","2020-10-21","18:00:00",""
"7220217","10.8597","0.0013","24.115","0.004","5.0303","0.0007","90","","90","","90","","1317.3","0.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Singh, Vinay Kumar; Verma, Sanjay Kumar; Kadu, Rahul Vilasrao; Mobin, Shaikh M.","Identification of unusual C‒Cl•••π contacts in 2-(alkylamino)-3-chloro-1,4-naphthoquinones: Effect of N-substituents on crystal packings, fluorescence, redox and anti-microbial properties","RSC Adv.","2015","","","","","10.1039/C5RA02295A","","","0.7107","MoKα","","0.0718","0.0718","","","","0.141","","","","","","1.1178","","","","has coordinates","135767","2020-10-21","18:00:00",""
"7220316","16.126","0.003","8.7468","0.0017","9.3691","0.0019","90","","90","","90","","1321.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N, N-diisopropylpropan-1-ammonium perchlorate","","- C9 H22 Cl N O4 -","- C9 H22 Cl N O4 -","- C36 H88 Cl4 N4 O16 -","4","1","","Wang, Wen-Xiang; Huang, Yao","High temperature phase transitions in N,N-diisopropylpropan-1-ammonium perchlorate","CrystEngComm","2015","17","20","3783","","10.1039/C4CE02562H","","","0.71073","MoKα","","0.0805","0.0491","","","0.1052","0.1173","","","","","","1.046","","","","has coordinates","138536","2020-10-21","18:00:00",""
"7220379","26.8212","0.0019","17.721","0.002","10.233","0.0008","90","","90","","90","","4863.7","0.8","140","1","140","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16.5 H17.5 Fe Mn N13 O3.75 -","- C16.5 H17 Fe Mn N13 O3.75 -","- C132 H136 Fe8 Mn8 N104 O30 -","8","2","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0533","0.0492","","","0.1114","0.1141","","","","","","1.036","","","","has coordinates,has disorder","138538","2020-10-21","18:00:00",""
"7220499","16.3977","0.0007","3.8099","0.0001","45.645","0.002","90","","90","","90","","2851.61","0.19","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Kavuru, Padmini; Grebinoski, Stephanie J.; Patel, Mitulkumar A.; Wojtas, Lukasz; Chadwick, Keith","Polymorphism of vanillin revisited: the discovery and selective crystallization of a rare crystal structure","CrystEngComm","2016","18","7","1118","","10.1039/C5CE00568J","","","1.54178","CuKα","","0.0465","0.0387","","","0.0887","0.0925","","","","","","1.028","","","","has coordinates","177738","2020-10-21","18:00:00",""
"7220654","12.4265","0.0002","10.8273","0.0002","12.075","0.0002","90","","90","","90","","1624.64","0.05","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 N3 O4 V -","- C16 H16 N3 O4 V -","- C64 H64 N12 O16 V4 -","4","1","","Dash, Subhashree Priyadarsini; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Mukhopadhyay, Subhadip; Bhutia, Sujit; Kaminsky, Werner; Sinn, Ekkehard","Oxidovanadium(V) complexes of aroylhydrazones incorporating heterocycles: Synthesis, characterization and study of DNA binding, photo-induced DNA cleavage and cytotoxic activities","RSC Adv.","2015","","","","","10.1039/C4RA14369H","","","1.54178","CuKα","","0.0325","0.0303","","","0.0811","0.0818","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220746","21.2337","0.0004","7.9464","0.00014","25.6281","0.0005","90","","90","","90","","4324.27","0.14","153","","153","","","","","","","","ethyl acetate","3","P n a 21","P 2c -2n","33","","octadehydrotribenzo[14]annulene","","- C30 H16 O4 -","- C30 H16 O4 -","- C240 H128 O32 -","8","2","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","1.54187","CuKα","","0.1475","0.0771","","","0.1756","0.2489","","","","","","1.078","","","","has coordinates","171096","2020-10-21","18:00:00",""
"7220857","18.5686","0.001","5.9732","0.0004","20.0793","0.0015","90","","90","","90","","2227.1","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","TNE-FDNA","2,2,2-trinitroethyl 2-fluoro-2,2-dinitroethylamine","","- C4 H5 F N6 O10 -","- C4 H5 F N6 O10 -","- C32 H40 F8 N48 O80 -","8","2","","Zhai, Lian-jie; Fan, Xuezhong; Wang, Bozhou; Bi, Fuqiang; Li, Yanan; Zhu, Yanlong","A “Green” High-initiation-power Primary Explosive: Synthesis, 3D Structure and Energetic Properties of Dipotassium 3,4-Bis(3-dinitromethylfurazan-4-oxy)furazan","RSC Adv.","2015","","","","","10.1039/C5RA09822J","","","0.71073","MoKα","","0.0576","0.041","","","0.0856","0.0952","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221033","19.212","0.003","16.673","0.002","5.6278","0.0009","90","","90","","90","","1802.7","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H17 Cl N2 -","- C23 H17 Cl N2 -","- C92 H68 Cl4 N8 -","4","1","","Pavankumar, C. S.; Harsha, Kachigere B.; Kempegowda, Mantelingu; K.S., Rangappa","Diastereoselective Synthesis of Fused Oxazolidines and Highly Substituted 1H-pyrrolo [2, 1-c][1,4] oxazines via C‒H functionalization","RSC Adv.","2015","","","","","10.1039/C5RA10030E","","","1.54178","CuKα","","0.0441","0.0366","","","0.0968","0.1049","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221069","16.5779","","9.8223","","13.8562","","90","","90","","90","","2256.25","","","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","(Ga16 P16 O60 (O H)2 F6 O4) (H2 ((C H3)2 N) (C H2)3 (N (C H3)2))4","","- C28 H82 F6 Ga16 N8 O66 P16 -","- C28 F6 Ga16 N8 O66 P16 -","- C28 F6 Ga16 N8 O66 P16 -","1","0.25","","Matijasic, A.; Patarin, J.; Paillaud, J.L.","Synthesis, characterisation and structure determination of Mu-15: anew fluorogallophosphate with fluoride as a specific template of the D4R units","Journal of Materials Chemistry","2000","10","","1345","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","141047","2020-10-21","18:00:00",""
"7221140","17.4241","0.0003","10.4127","0.0003","26.497","0.001","90","","90","","90","","4807.4","0.2","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H66 Hg2 I N11 O15 -","- C36 H54 Hg2 I N11 O15 -","- C144 H216 Hg8 I4 N44 O60 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54184","CuKα","","0.0393","0.0365","","","0.088","0.0909","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221207","21.36","","7.54","","4.35","","90","","90","","90","","700.587","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ca Cu Ge -","- Ca Cu Ge -","- Ca12 Cu12 Ge12 -","12","3","","Doerrscheidt, W.; Niess, N.; Schaefer, H.","Darstellung und Kristallstruktur von Ca Cu Ge","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","985","988","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221209","13.3","","6.32","","7.7224","","90","","90","","90","","649.114","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Mg5 Al2 Se8","","- Al2 Mg5 Se8 -","- Al2 Mg4.98 Se8 -","- Al4 Mg9.96 Se16 -","2","0.5","","Dotzel, K.P.; Schaefer, H.","Zur Darstellung und Kristallstruktur von Mg5 Al2 Se8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1488","1489","","","","","","","","","","","","","","","","","","","","","","has coordinates","144991","2020-10-21","18:00:00",""
"7221557","9.2889","0.0019","17.158","0.003","11.652","0.002","90","","90","","90","","1857.1","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2h","","- C19 H29 N O2 S -","- C19 H29 N O2 S -","- C76 H116 N4 O8 S4 -","4","1","","Yang, Chun-Hua; Fan, Wen-Wen; Liu, Gong-Qing; Duan, Lili; Li, Lin; Li, Yue-Ming","On the understanding of BF3·Et2O-promoted intra- and intermolecular amination and oxygenation of unfunctionalized olefins","RSC Adv.","2015","5","75","61081","","10.1039/C5RA10513G","","","0.71073","MoKα","","0.0585","0.0441","","","0.0986","0.1084","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221568","12.152","0.0003","13.7838","0.0003","9.579","0.0003","90","","90","","90","","1604.49","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0273","0.0231","","","0.0578","0.0594","","","","","","0.94","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221586","18.416","0.005","10.154","0.003","27.01","0.008","90","","90","","90","","5051","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H31 N3 O11 Zn2 -","- C31 H31 N3 O11 Zn2 -","- C124 H124 N12 O44 Zn8 -","4","1","","Yang, Jie; Zhang, Liangliang; wang, xiao qing; Wang, Rongming; Dai, Fangna; Sun, Daofeng","Fluorescent Selectivity for Small Molecules of Three Zn-MOFs with different Topologies Based on a Tetracarboxylate Ligand","RSC Adv.","2015","","","","","10.1039/C5RA10391F","","","0.71073","MoKα","","0.0753","0.0606","","","0.1502","0.1584","","","","","","0.968","","","","has coordinates","152155","2020-10-21","18:00:00",""
"7221667","21.392","0.005","10.941","0.005","18.213","0.005","90","0.005","90","0.005","90","0.005","4263","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 Er F9 N4 O6 -","- C44 H26 Er F9 N4 O6 -","- C176 H104 Er4 F36 N16 O24 -","4","1","","Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming","NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes","RSC Adv.","2015","","","","","10.1039/C5RA12954K","","","0.71069","MoKα","","0.0499","0.0411","","","0.0982","0.1051","","","","","","1.051","","","","has coordinates","152580","2020-10-21","18:00:00",""
"7221834","7.512","0.0002","20.1473","0.0008","11.4124","0.0005","90","","90","","90","","1727.23","0.11","291","2","291.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H17 F -","- C24 H15 F -","- C96 H60 F4 -","4","1","","Wang, Fuyuan; Shen, Jinhai; Cheng, Guolin; Cui, Xiuling","Practical Access to 1,3,5-Triarylbenzenes from Chalcones and DMSO","RSC Adv.","2015","","","","","10.1039/C5RA13137E","","","1.54184","CuKα","","0.0475","0.0383","","","0.1","0.1067","","","","","","1.08","","","","has coordinates","153542","2020-10-21","18:00:00",""
"7221850","24.1698","0.0003","11.631","0.0002","21.9833","0.0003","90","","90","","90","","6179.92","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H65.2 Cl2 Cu N8 O10.6 -","- C67 H62 Cl2 Cu N8 O10.6 -","- C268 H248 Cl8 Cu4 N32 O42.4 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0488","0.0395","","","0.1036","0.1063","","","","","","0.994","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221857","18.761","0.0018","8.3037","0.0008","18.9883","0.0019","90","","90","","90","","2958.1","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H31 Cr N8 O13 -","- C26 H31 Cr N8 O13 -","- C104 H124 Cr4 N32 O52 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; shamsipur, mojtaba; Saeedi, Mahdi; Ardalani, Mehdi; Bauza, Antonio; Mague, Joel T.; Frontera, Antonio; Habibi, Morteza","Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism","RSC Adv.","2015","","","","","10.1039/C5RA09526C","","","0.71073","MoKα","","0.0503","0.044","","","0.1088","0.1146","","","","","","1.017","","","","has coordinates,has disorder","153574","2020-10-21","18:00:00",""
"7221884","7.4723","0.0005","17.3131","0.0008","11.3273","0.0005","90","","90","","90","","1465.4","0.14","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","","","0.0971","0.0701","","","0.1752","0.2003","","","","","","0.983","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221885","7.606","0.0006","17.2147","0.0009","11.3303","0.0006","90","","90","","90","","1483.53","0.16","290","2","290","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","MoKα","","0.0964","0.0717","","","0.1766","0.1964","","","","","","1.122","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221892","6.2101","0.0004","21.6012","0.0015","10.6587","0.0008","90","","90","","90","","1429.82","0.17","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H17 N O S -","- C17 H17 N O S -","- C68 H68 N4 O4 S4 -","4","1","","Prasad, Chelluri Durga Durga; Verma, Ajay; Sattar, Moh; Kumar, Sangit","Silver Mediated Thio-Acetoxylation and TFA Triggered Cyclization of Amino Disulfides with Unactivated Alkenes: Synthesis of 3-Aryl/Alkyl-1,4-benzothiazines","RSC Adv.","2015","","","","","10.1039/C5RA12995H","","x-ray","0.71073","MoKα","","0.0499","0.0357","","","0.0789","0.0847","","","","","","1.05","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7221893","9.3777","0.0006","9.532","0.0006","34.929","0.002","90","","90","","90","","3122.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C128 H168 N8 O24 S8 -","8","2","","Prasad, Chelluri Durga Durga; Verma, Ajay; Sattar, Moh; Kumar, Sangit","Silver Mediated Thio-Acetoxylation and TFA Triggered Cyclization of Amino Disulfides with Unactivated Alkenes: Synthesis of 3-Aryl/Alkyl-1,4-benzothiazines","RSC Adv.","2015","","","","","10.1039/C5RA12995H","","x-ray","0.71073","MoKα","","0.0528","0.0391","","","0.0849","0.1055","","","","","","1.072","","","","has coordinates","153670","2020-10-21","18:00:00",""
"7221920","11.482","0.003","6.0114","0.0013","19.382","0.005","90","","90","","90","","1337.8","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Isoxazolone-based single crystals with large second harmonic generation effect","CrystEngComm","2015","17","38","7316","","10.1039/C5CE01006C","","","0.71073","MoKα","","0.0403","0.0375","","","0.0868","0.0891","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221943","20.4644","0.002","9.31815","0.00087","5.54812","0.0005","90","","90","","90","","1057.97","0.17","300","","300","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ca19.81 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","1","0.25","","Shihai Miao; Zhiguo Xia; Maxim Molokeev; Jie Zhang; QuanLin Liu","Crystal Structure Refinement and Luminescence Property of Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors","Journal of Materials Chemistry C","2015","3","0","8322","8328","10.1039/C5TC01629K","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.75","1.256","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221944","20.5411","0.0023","9.34901","0.00088","5.55337","0.00054","90","","90","","90","","1066.46","0.19","300","","300","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","1","0.25","","Shihai Miao; Zhiguo Xia; Maxim Molokeev; Jie Zhang; QuanLin Liu","Crystal Structure Refinement and Luminescence Property of Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors","Journal of Materials Chemistry C","2015","3","0","8322","8328","10.1039/C5TC01629K","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.8","1.443","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221982","39.0382","0.0014","9.2229","0.0003","20.9573","0.0008","90","","90","","90","","7545.6","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H34 Ir N3 O5 -","- C43 H34 Ir N3 O5 -","- C344 H272 Ir8 N24 O40 -","8","2","","Maity, Amit; Sarkar, Rupa; Rajak, Kajal Krishna","Heteroleptic Iridium (III) complexes bearing coumarine moiety: an experimental and theoretical investigation†","RSC Adv.","2015","","","","","10.1039/C5RA08349D","","","0.71073","MoKα","","0.1036","0.0659","","","0.1532","0.1753","","","","","","1.034","","","","has coordinates","153913","2020-10-21","18:00:00",""
"7222016","35.83","0.007","12.211","0.002","6.5889","0.0013","90","","90","","90","","2882.8","0.9","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H40 B10 O2 Si2 -","- C22 H40 B10 O2 Si2 -","- C88 H160 B40 O8 Si8 -","4","1","","Han, Xiaojie; Fei, Huafeng; Liu, Bozheng; Tan, Yongxia; Zhang, Xuezhong; Xie, Zemin; Zhang, Zhijie","High-yielding and Facile Synthesis of Organosilicon Compounds containing m-Carboranylmethyl Group","RSC Adv.","2015","","","","","10.1039/C5RA13344K","","","0.71073","MoKα","","0.0491","0.0457","","","0.0993","0.1019","","","","","","1.063","","","","has coordinates","154313","2020-10-21","18:00:00",""
"7222081","19.0009","0.0019","5.2814","0.0009","25.611","0.005","90","","90","","90","","2570.1","0.7","110","1","110","1","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0699","0.0414","","","0.0822","0.0879","","","","","","0.846","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222082","19.139","0.003","5.314","0.0013","26","0.005","90","","90","","90","","2644.3","0.9","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1265","0.0996","","","0.2809","0.2945","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222112","23.0884","0.0007","10.4956","0.0004","7.3329","0.0002","90","","90","","90","","1776.96","0.1","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R.","Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight","Green Chem.","2015","17","10","4720","","10.1039/C5GC01783A","","","1.54178","CuKα","","0.0366","0.0315","","","0.0791","0.0818","","","","","","1.029","","","","has coordinates","161996","2020-10-21","18:00:00",""
"7222113","22.9356","0.0009","10.4908","0.0004","7.3765","0.0003","90","","90","","90","","1774.88","0.12","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R.","Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight","Green Chem.","2015","17","10","4720","","10.1039/C5GC01783A","","","0.71073","MoKα","","0.0718","0.0535","","","0.1151","0.1229","","","","","","1.092","","","","has coordinates,has disorder","161996","2020-10-21","18:00:00",""
"7222210","18.023","0.003","11.862","0.002","13.824","0.003","90","","90","","90","","2955.4","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H34 N6 Ni O7 -","- C29 H34 N6 Ni O7 -","- C116 H136 N24 Ni4 O28 -","4","1","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0703","0.0573","","","0.1225","0.1284","","","","","","1.07","","","","has coordinates","204137","2020-10-21","18:00:00",""
"7222300","19.2249","0.0008","13.6646","0.0005","6.0897","0.0002","90","","90","","90","","1599.77","0.1","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H27 Cl N4 O -","- C16 H27 Cl N4 O -","- C64 H108 Cl4 N16 O4 -","4","1","","Camus, Nathalie; Halme, Zakaria; Nathalie, Le Bris; Bernard, Hélène; Beyler, Maryline; Platas-Iglesias, Carlos; Tripier, Raphael","A [Two-Steps / One Week] Synthesis of C-Functionalized Homocyclens and Cyclams. Application to the Preparation of Conjugable BCAs without Chelating Properties Alteration","RSC Adv.","2015","","","","","10.1039/C5RA17133D","","x-ray","0.71073","MoKα","","0.0533","0.0428","","","0.0984","0.102","","","","","","1.01","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222374","24.313","0.012","8.91","0.005","17.683","0.009","90","","90","","90","","3831","3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18.5 N3 O3 -","- C22 H19 N3 O3 -","- C176 H152 N24 O24 -","8","2","","Pramanik, Animesh; Bodhak, Chandan; Kundu, Ashis","ZrO2 nanoparticles as a reusable solid dual acid-base catalyst for facile one-pot synthesis of multi-functionalized spirooxindole derivatives under solvent free condition","RSC Adv.","2015","","","","","10.1039/C5RA16259A","","","0.71073","MoKα","","0.0446","0.0348","","","0.094","0.1031","","","","","","0.82","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222404","25.831","0.003","11.8166","0.0011","3.9035","0.0004","90","","90","","90","","1191.5","0.2","150.15","","150.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N S2 -","- C15 H9 N S2 -","- C60 H36 N4 S8 -","4","1","","Rajaguru, Kandasamy; Mariappan, Arumugam; Manjusri, Ramachandran; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","An Efficient Desulfitative C-C Cross Coupling of Fused Thiazolidine-2-thione with Boronic Acids and Boronic Acid Pinacol esters: Formation of Fused Thiazoles","RSC Adv.","2015","","","","","10.1039/C5RA17827D","","","0.71073","MoKα","","0.0419","0.0364","","","0.0865","0.0892","","","","","","1.068","","","","has coordinates","159568","2020-10-21","18:00:00",""
"7222487","16.2623","0.0007","12.0018","0.0005","21.7768","0.0009","90","","90","","90","","4250.3","0.3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Cu2(L-Cl-O)(dca)2](MeCN)2","","","- C40 H36 Cl Cu2 F6 N14 O P -","- C40 H36 Cl Cu2 F6 N14 O P -","- C160 H144 Cl4 Cu8 F24 N56 O4 P4 -","4","1","","Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate","RSC Adv.","2015","","","","","10.1039/C5RA19358C","","","0.71073","MoKα","","0.0912","0.0653","","","0.1612","0.1893","","","","","","1.115","","","","has coordinates","161231","2020-10-21","18:00:00",""
"7222488","16.2326","0.0005","12.0277","0.0004","21.832","0.0007","90","","90","","90","","4262.5","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","[Cu2(L-Me-O)(dca)2](PF6).2MeCN","","","- C41 H39 Cu2 F6 N14 O P -","- C41 H39 Cu2 F6 N14 O P -","- C164 H156 Cu8 F24 N56 O4 P4 -","4","1","","Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate","RSC Adv.","2015","","","","","10.1039/C5RA19358C","","","0.71073","MoKα","","0.0573","0.0373","","","0.0736","0.0775","","","","","","0.92","","","","has coordinates","161231","2020-10-21","18:00:00",""
"7222823","13.0478","","11.2809","","10.8344","","90","","90","","90","","1594.72","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(((N H3)2 H)2 ((N H3)3 H) (As S4)) (N H3)","","- As H27 N8 S4 -","- As H27 N8 S4 -","- As4 H108 N32 S16 -","4","1","","Rossmeier, T.; Korber, N.","Erstmalige Charakterisierung der Ammoniak-Proton-Komplexe ((N H3)3 H)(+) und ((N H3)4 H)(+) in den Kristallstrukturen von (N H4)3 As S4 * 5(N H3) und (N H4)3 Sb S4 * 8(N H3)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","672","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222826","10.674","","15.812","","7.991","","90","","90","","90","","1348.7","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Na2 S2 O3","","- Na2 O3 S2 -","- Na2 O3 S2 -","- Na24 O36 S24 -","12","3","","von Benda, H.; von Benda, K.","Zur Polymorphie des Na2 S2 O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","957","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","165275","2020-10-21","18:00:00",""
"7222923","16.603","0.003","4.1488","0.0008","19.295","0.004","90","","90","","90","","1329.1","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H9 I O2 S -","- C15 H9 I O2 S -","- C60 H36 I4 O8 S4 -","4","1","","Cai, Qun; Yang, Yan; Li, Deng-Kui; Jia, Feng-Cheng; Xu, Cheng; Wu, An-Xin","CuO/I2-mediated intramolecular annulation for the synthesis of 2-aroyl-3-hydroxy-4-iodonaphthalenes","RSC Adv.","2015","","","","","10.1039/C5RA17651D","","","0.71073","MoKα","","0.0414","0.0336","","","0.0872","0.0882","","","","","","1.18","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222953","11.818","","8.897","","10.575","","90","","90","","90","","1111.91","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Ga (Ga2 Cl7)","","- Cl7 Ga3 -","- Cl7 Ga3 -","- Cl28 Ga12 -","4","1","","Frank, W.; Simon, A.; Hoenle, W.","Die Kristallstruktur von Ga3Cl7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1990","45","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","168788","2020-10-21","18:00:00",""
"7223023","28.184","0.0015","10.4657","0.0004","10.5136","0.0004","90","","90","","90","","3101.1","0.2","293","2","293","2","","","","","","","Pb/Cu bimetallic thiolate","6","P n a 21","P 2c -2n","33","","","","- C30 H34 Cu N4 O4 S2 -","- C30 H34 Cu N4 O4 S2 -","- C120 H136 Cu4 N16 O16 S8 -","4","1","","Gupta, Geetika; Bhattacharya, Subrato","Rich Synthetic and Structural Chemistry of Polynuclear Pb(II)-Cu(I)/Ag(I) Heterobimetallic Thiolate Clusters, their Decomposition and Generation of a Cu(II) Hydrosulfide Variant.","RSC Adv.","2015","","","","","10.1039/C5RA15195C","","x-ray","0.71073","MoKα","","0.0646","0.0437","","","0.0929","0.1045","","","","","","1.053","","","","has coordinates","169738","2020-10-21","18:00:00",""
"7223261","10.635","0.0014","6.838","0.0007","33.586","0.004","90","","90","","90","","2442.4","0.5","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H32 N2 O4 Pd -","- C22 H32 N2 O4 Pd -","- C88 H128 N8 O16 Pd4 -","4","1","","karami, kazem; Haghighat Naeini, Nasrin; Eigner, Václav; Dušek, Michal; Lipkowski, Janusz; Hervés, Pablo; Tavakol, Hossein","Palladium complexes with 3-phenylpropylamine ligand: synthesis, structures, theoretical studies and application in the aerobic oxidation of alcohols as a heterogeneous catalyst","RSC Adv.","2015","","","","","10.1039/C5RA17249G","","","0.71073","MoKα","","0.0979","0.0583","","","0.0947","0.1071","","","","","","1.123","","","","has coordinates","170314","2020-10-21","18:00:00",""
"7223281","9.914","0.004","21.812","0.009","4.923","0.002","90","","90","","90","","1064.6","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0496","0.0366","","","0.0749","0.0814","","","","","","1.036","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223436","15.4414","0.0015","10.9156","0.0011","14.596","0.0014","90","","90","","90","","2460.2","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H32 Ni2 O18 -","- C18 H29 Ni2 O18 -","- C72 H116 Ni8 O72 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0399","0.0377","","","0.1051","0.1068","","","","","","1.085","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223547","14.4","0.002","13.9197","0.0017","17.1576","0.0019","90","","90","","90","","3439.1","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H30 N4 Ni O9 -","- C39 H30 N4 Ni O9 -","- C156 H120 N16 Ni4 O36 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1888","0.0937","","","0.1745","0.2294","","","","","","1.001","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223719","7.3837","0.0004","30.138","0.002","4.8965","0.0003","90","","90","","90","","1089.62","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthaldic acid potassium salt .1H2O K.14.H2O","","- C12 H9 K O4 -","- C12 H9 K O4 -","- C48 H36 K4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.0858","0.0782","","","0.1806","0.1848","","","","","","1.122","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223720","7.852","0.006","29.89","0.02","4.998","0.003","90","","90","","90","","1173","1.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthalaldehydic acid cesium salt. 1H2O Cs.14.H2O","","- C12 H9 Cs O4 -","- C12 H9 Cs O4 -","- C48 H36 Cs4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0586","0.0478","","","0.093","0.0994","","","","","","1.051","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223752","7.2993","0.0002","19.3615","0.0006","26.0984","0.0009","90","","90","","90","","3688.4","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","BariumMOF","","","- C29 H17 Ba N O7 -","- C29 H17 Ba N O7 -","- C116 H68 Ba4 N4 O28 -","4","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.0557","0.0451","","","0.1318","0.1456","","","","","","1.255","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223881","20.9421","0.0011","5.0644","0.0003","32.897","0.0019","90","","90","","90","","3489","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C176 H80 N32 O16 -","8","2","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.079","0.045","","","0.0758","0.0869","","","","","","1.035","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7224047","16.1981","0.0006","13.2331","0.0005","9.8739","0.0004","90","","90","","90","","2116.48","0.14","123","1","123","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H12 Cl4 O2 P3 Re -","- C17 H12 Cl4 O2 P3 Re -","- C68 H48 Cl16 O8 P12 Re4 -","4","1","","Hollering, Manuela; Reithmeier, Richard; Meister, Simon; Herdtweck, Eberhardt; Kühn, Fritz Elmar; Rieger, Bernhard","[Re(CO)3Cl(C5H4ClP)2] and [Re(CO)2Cl(C5H4ClP)3]: Synthesis and Characterization of Two Novel Rhenium(I) Phosphinine Complexes","RSC Adv.","2016","","","","","10.1039/C5RA25904E","","","0.71073","MoKα","","0.0199","0.0194","","","0.0469","0.0471","","","","","","1.077","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7224138","5.331","0.003","15.551","0.009","4.782","0.003","90","","90","","90","","396.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Al Li3 O5 Si -","- Al Li3 O5 Si -","- Al4 Li12 O20 Si4 -","4","1","","Chen, Xinglong; Zhang, Fangfang; Liu, Lili; Lei, Bing-Hua; Dong, Xiaoyu; Yang, Zhihua; Li, Hongyi; Pan, Shilie","Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure.","Physical chemistry chemical physics : PCCP","2016","18","6","4362","4369","10.1039/c5cp06884c","","","0.71073","MoKα","","0.0378","0.0287","","","0.0667","0.0725","","","","","","1.031","","","","has coordinates","175855","2020-10-21","18:00:00",""
"7224163","13.1522","0.0007","23.4963","0.0016","11.0242","0.0005","90","","90","","90","","3406.8","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H40 N4 O8 S2 -","- C33 H40 N4 O8 S2 -","- C132 H160 N16 O32 S8 -","4","1","","Lega, Dmitry A.; Gorobets, Nikolay Yu.; Chernykh, Valentine P.; Shishkina, Svetlana V.; Shemchuk, Leonid A.","Peculiarities of 2-amino-3-R-4-aryl-4H-pyranes multicomponent synthesis derived from 1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide","RSC Adv.","2016","6","19","16087","","10.1039/C5RA24566D","","","0.71073","MoKα","","0.1489","0.0669","","","0.1583","0.1885","","","","","","0.918","","","","has coordinates","176290","2020-10-21","18:00:00",""
"7224258","19.4674","0.0004","5.92693","0.00011","31.1266","0.0007","90","","90","","90","","3591.45","0.13","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 O23 Zn3 -","- C32 H32 O23 Zn3 -","- C128 H128 O92 Zn12 -","4","1","","Ohtani, Masataka; Takase, Kazutaka; Wang, Pengyu; Higashi, Kouki; Ueno, Kimiyoshi; Yasuda, Nobuhiro; Sugimoto, Kunihisa; Furuta, Mamoru; Kobiro, Kazuya","Water-triggered macroscopic structural transformation of a metal‒organic framework","CrystEngComm","2016","18","11","1866","","10.1039/C6CE00031B","","","0.78202","Synchrotron","","0.0319","0.0287","","","0.0658","0.0682","","","","","","1.069","","","","has coordinates,has disorder","181609","2020-10-21","18:00:00",""
"7224265","20.8189","0.0004","23.3745","0.0005","12.7036","0.0003","90","","90","","90","","6182","0.2","150","0.1","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27.512 H58.127 B24 N3.102 O16.102 Zn4 -","- C27.515 H58.133 B24 N3.103 O16.103 Zn4 -","- C110.06 H232.532 B96 N12.412 O64.412 Zn16 -","4","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.0669","0.0617","","","0.1634","0.1675","","","","2.7","2.7","2.65","","","","has coordinates","288070","2023-12-06","12:58:11",""
"7224295","18.2644","0.0011","9.0854","0.0006","19.045","0.0011","90","","90","","90","","3160.3","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","pdsnah","pdsnah","","- C17 H12 Cl N3 O2 Pd -","- C17 H12 Cl N3 O2 Pd -","- C136 H96 Cl8 N24 O16 Pd8 -","8","2","","Arumugam, Vignesh; Kaminsky, Werner; Nallasamy, Dharmaraj","Pd(ii) pincer type complex catalyzed tandem C‒H and N‒H activation of acetanilide in aqueous media: a concise access to functionalized carbazoles in a single step","Green Chem.","2016","18","11","3295","","10.1039/C5GC02937F","","","0.71073","MoKα","","0.0322","0.0271","","","0.0575","0.0595","","","","","","1.024","","","","has coordinates","183714","2020-10-21","18:00:00",""
"7224512","16.9052","0.0011","15.7416","0.001","16.3948","0.0011","90","","90","","90","","4362.9","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrakisvinylpyridine bisisothiocyanato nickel(II) diindene","","- C48 H44 N6 Ni S2 -","- C48 H44 N6 Ni S2 -","- C192 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0402","0.0354","","","0.0939","0.0976","","","","","","1.04","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224513","16.8137","0.0018","16.1198","0.0019","16.3865","0.0019","90","","90","","90","","4441.3","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) dinaphthalene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0731","0.0424","","","0.0744","0.0849","","","","","","1.003","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224514","16.7378","0.0012","16.1297","0.0012","16.4588","0.0012","90","","90","","90","","4443.5","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) diazulene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0351","0.0276","","","0.0611","0.0643","","","","","","1.014","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224554","19.428","0.003","14.4576","0.0015","11.916","0.0016","90","","90","","90","","3347","0.8","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H39 Cl4 Fe N2 -","- C34 H38 Cl4 Fe N2 -","- C136 H152 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","1.54178","CuKα","","0.2161","0.1086","","","0.293","0.3592","","","","","","1.08","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224697","16.204","0.003","19.565","0.004","7.4534","0.0017","90","","90","","90","","2363","0.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","1a","1a","","- C29 H25 B F2 N2 -","- C29 H25 B F2 N2 -","- C116 H100 B4 F8 N8 -","4","1","","Gai, Lizhi; Chen, Jingzhi; Zhao, Yue; Mack, John; Lu, Hua; Shen, Zhen","Synthesis and properties of azulene-functionalized BODIPYs","RSC Adv.","2016","","","","","10.1039/C6RA00743K","","","0.71073","MoKα","","0.0859","0.0442","","","0.0924","0.112","","","","","","0.98","","","","has coordinates","179297","2020-10-21","18:00:00",""
"7224718","7.8517","0.001","14.459","0.002","11.5168","0.0016","90","","90","","90","","1307.5","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Patil, Nitin T.; Inamdar, Suleman M.; Chakrabarty, Indradweep","A Unified Approach to Pyrrole-Embedded Aza-Heterocyclic Scaffolds Based on RCM/Isomerization/Cyclization Cascade Catalyzed by Ru/B-H Binary Catalyst System","RSC Adv.","2016","","","","","10.1039/C6RA05646F","","","0.71073","MoKα","","0.0701","0.0602","","","0.1508","0.1581","","","","","","1.11","","","","has coordinates","179726","2020-10-21","18:00:00",""
"7224781","10.9186","0.0015","17.007","0.002","35.3","0.005","90","","90","","90","","6554.9","1.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H6 N12 O21 -","- C9 H6 N12 O21 -","- C108 H72 N144 O252 -","12","3","","Gidaspov, Alexander A.; Zalomlenkov, Vladimir A.; Bakharev, Vladimir V.; Parfenov, Victor E.; Yurtaev, Evgeniy V.; Struchkova, Marina I.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill; Lempert, David B.; Sheremetev, Aleksei B.","Novel trinitroethanol derivatives: High energetic 2-(2,2,2-Trinitroethoxy)-1,3,5-triazines","RSC Adv.","2016","","","","","10.1039/C6RA05826D","","","0.71073","MoKα","","0.1396","0.0792","","","0.1802","0.2113","","","","","","1.041","","","","has coordinates,has disorder","180704","2020-10-21","18:00:00",""
"7224808","7.1597","0.0002","6.3074","0.0002","38.1938","0.001","90","","90","","90","","1724.8","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Hg N10 S2 -","- C14 H12 Hg N10 S2 -","- C56 H48 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0302","0.0274","","","0.054","0.0547","","","","","","1.2","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224824","12.1904","0.0013","3.9703","0.0003","25.5341","0.0019","90","","90","","90","","1235.84","0.19","291","2","291.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 Br O2 -","- C15 H9 Br O2 -","- C60 H36 Br4 O8 -","4","1","","Yuan, Jinwei; Yang, Liangru; Yin, Qiuyue; Mao, Pu; Qu, Ling-Bo","KMnO4/AcOH-mediated C3-selective direct arylation of coumarins with arylboronic acids","RSC Adv.","2016","","","","","10.1039/C6RA04787D","","x-ray","0.71073","MoKα","","0.0831","0.0491","","","0.0917","0.1051","","","","","","1.016","","","","has coordinates","181847","2020-10-21","18:00:00",""
"7224954","12.04","0.003","6.7907","0.0014","19.562","0.004","90","","90","","90","","1599.4","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0562","0.0447","","","0.0907","0.0967","","","","","","1.003","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7225071","8.7092","0.0007","17.5095","0.0015","12.4774","0.001","90","","90","","90","","1902.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H24 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C80 H88 Cd4 N8 O20 -","4","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0317","0.0237","","","0.0636","0.0834","","","","","","1.198","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225087","18.0256","0.0014","15.4212","0.0011","10.3922","0.0006","90","","90","","90","","2888.8","0.3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2a","","- C23 H41 Cl3 N Nb O4 -","- C23.0004 H41.0013 Cl3 N Nb O4 -","- C92.0016 H164.005 Cl12 N4 Nb4 O16 -","4","1","","Roymuhury, Sagnik Kumar; Chakraborty, Debashis; V, Ramkumar","Zwitterionic niobium and tantalum complexes with bidentate aminophenol scaffolds: Synthesis, structural characterization and use in the ring opening polymerization of lactides","RSC Adv.","2016","","","","","10.1039/C6RA09789H","","","0.71073","MoKα","","0.0412","0.0334","","","0.0737","0.0778","","","","","","1.031","","","","has coordinates,has disorder","182481","2020-10-21","18:00:00",""
"7225101","50.824","0.0014","11.369","0.0003","17.604","0.0004","90","","90","","90","","10171.9","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 Nd6 O44 S9 -","- C79 H79 N5 Nd6 O44 S9 -","- C316 H316 N20 Nd24 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0442","0.0312","","","0.0576","0.0631","","","","","","1.079","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225102","50.925","0.0014","11.3821","0.0003","17.6499","0.0004","90","","90","","90","","10230.5","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 Pr6 S9 -","- C79 H79 N5 O44 Pr6 S9 -","- C316 H316 N20 O176 Pr24 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0411","0.032","","","0.0613","0.0649","","","","","","1.025","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225107","51.1545","0.0014","11.4493","0.0003","17.7196","0.0005","90","","90","","90","","10378.1","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 Ce6 N5 O44 S9 -","- C79 H79 Ce6 N5 O44 S9 -","- C316 H316 Ce24 N20 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0603","0.0549","","","0.1383","0.1417","","","","","","1.09","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225108","50.641","0.003","11.353","0.0008","17.5277","0.001","90","","90","","90","","10077.2","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 S9 Sm6 -","- C79 H79 N5 O44 S9 Sm6 -","- C316 H316 N20 O176 S36 Sm24 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0304","0.0268","","","0.0611","0.0622","","","","","","1.163","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225134","9.899","0.003","12.113","0.003","20.03","0.005","90","","90","","90","","2401.7","1.1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H3 F12 N3 S3 -","- C21 H3 F12 N3 S3 -","- C84 H12 F48 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1336","0.045","","","0.0761","0.1014","","","","","","1.001","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225243","7.312","0.0015","23.629","0.005","20.889","0.004","90","","90","","90","","3609.1","1.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H30 Br6 O8 -","- C34 H30 Br6 O8 -","- C136 H120 Br24 O32 -","4","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0506","0.0498","","","0.1304","0.131","","","","","","1.047","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225406","19.608","0.002","11.9909","0.0013","22.223","0.002","90","","90","","90","","5225","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H52 Ag2 Cl2 O12 S4 -","- C50 H52 Ag2 Cl2 O12 S4 -","- C200 H208 Ag8 Cl8 O48 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0726","0.0517","","","0.123","0.136","","","","","","1.068","","","","has coordinates,has disorder","185266","2020-10-21","18:00:00",""
"7225535","20.75","0.0015","7.916","0.0007","9.058","0.0005","90","","90","","90","","1487.84","0.19","330","1","330","2","","","","","","","Sigma","5","P n a 21","P 2c -2n","33","Tolbutamide form I^H^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.1044","0.0572","","","0.1439","0.1855","","","","","","1.05","","","","has coordinates,has disorder","185176","2020-10-21","18:00:00",""
"7225536","20.2133","0.0006","7.8233","0.0002","9.0717","0.0002","90","","90","","90","","1434.55","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0424","0.0399","","","0.113","0.1148","","","","","","1.042","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225537","19.7525","0.0003","7.7998","0.0001","9.0583","0.0001","90","","90","","90","","1395.57","0.03","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0277","0.0266","","","0.0714","0.0717","","","","","","1.097","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225538","19.4331","0.0003","7.801","0.0001","9.0277","0.0001","90","","90","","90","","1368.58","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0306","0.0277","","","0.0715","0.0724","","","","","","1.021","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225576","8.027","0.008","18.689","0.018","4.965","0.005","90","","90","","90","","744.8","1.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Li O4 P Pb -","- Li O4 P Pb -","- Li8 O32 P8 Pb8 -","8","2","","Han, Guopeng; Liu, Qiong; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie","Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO4.","Physical chemistry chemical physics : PCCP","2016","18","28","19123","19129","10.1039/c6cp02672a","","","0.71073","MoKα","","0.0412","0.0352","","","0.0811","0.0853","","","","","","1.024","","","","has coordinates","185674","2020-10-21","18:00:00",""
"7225602","10.1031","0.0018","21.838","0.003","4.8875","0.0006","90","","90","","90","","1078.3","0.3","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","","(26_F2 or 11-018)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0716","0.0336","","","0.0599","0.0667","","","","","","0.848","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225654","14.3139","0.0005","16.859","0.0005","10.2559","0.0004","90","","90","","90","","2474.93","0.15","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","tertiary amine salt","","","- C21 H35 N7 O6 -","- C21 H35 N7 O6 -","- C84 H140 N28 O24 -","4","1","","Dharmalingam, Sivanesan; Kim, Young Eun; Youn, Min Hye; Park, Ki Tae; Kim, Hak Ju; Nirmala Grace, A.; Jeong, Soon Kwan","The Salt-Based Catalytic Enhancement of CO2 Absorption by a Tertiary Amine Medium","RSC Adv.","2016","","","","","10.1039/C6RA13978G","","","0.71073","MoKα","","0.045","0.038","","","0.0998","0.1074","","","","","","0.755","","","","has coordinates","183880","2020-10-21","18:00:00",""
"7225801","13.152","0.003","8.441","0.0017","11.502","0.002","90","","90","","90","","1276.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0433","0.0411","","","0.1059","0.1133","","","","","","1.069","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225869","17.8204","0.0016","9.9753","0.0009","15.6487","0.0014","90","","90","","90","","2781.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H19 Mg N O10 -","- C8 H19 Mg N O10 -","- C64 H152 Mg8 N8 O80 -","8","2","","Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi","A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.","Physical chemistry chemical physics : PCCP","2016","18","30","20778","20783","10.1039/c6cp04132a","","","0.7749","synchrotron","","0.0526","0.0415","","","0.0929","0.0975","","","","","","1.03","","","","has coordinates,has disorder","185664","2020-10-21","18:00:00",""
"7226131","14.2167","0.0019","14.5308","0.0018","6.8955","0.001","90","","90","","90","","1424.5","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H10 I N3 O2 S -","- C13 H10 I N3 O2 S -","- C52 H40 I4 N12 O8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0334","0.0316","","","0.0701","0.0709","","","","","","1.159","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226174","13.6811","0.0011","11.8839","0.0012","7.3549","0.0006","90","","90","","90","","1195.8","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.","Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.","Physical chemistry chemical physics : PCCP","2016","18","35","24332","24342","10.1039/c6cp04219h","","","0.7107","MoKα","","0.063","0.0535","","","0.13","0.1403","","","","","","1.065","","","","has coordinates","186490","2020-10-21","18:00:00",""
"7226379","18.49","0.004","10.356","0.002","33.072","0.007","90","","90","","90","","6333","2","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H38 Fe I2 N2 O3 -","- C30 H38 Fe I2 N2 O3 -","- C240 H304 Fe8 I16 N16 O24 -","8","2","","Jiang, Shuang; Zhang, Tianyong; Zhang, Xia; Zhang, Guanghui; Hai, Li; Li, Bin","Synthesis, Structural Characterization, and Chemical Properties of Pentacoordinate Model Complexes for the Active Site of [Fe]-Hydrogenase","RSC Adv.","2016","","","","","10.1039/C6RA18628A","","","0.71073","MoKα","","0.0915","0.0629","","","0.1279","0.1463","","","","","","1.092","","","","has coordinates","186060","2020-10-21","18:00:00",""
"7226469","9.33311","0.00013","18.8139","0.0003","15.7107","0.0002","90","","90","","90","","2758.68","0.07","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H47 N3 O5 S -","- C24 H47 N3 O5 S -","- C96 H188 N12 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0316","0.03","","","0.075","0.0764","","","","","","1.031","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226481","9.1004","0.0011","10.5785","0.0019","11.775","0.002","90","","90","","90","","1133.6","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Singh, Anoop S.; Kumar, Dhananjay; Mishra, Nidhi; Tiwari, Vinod K.","An efficient one-pot synthesis of N,N′-disubstituted ureas and carbamates from N-acylbenzotriazoles","RSC Adv.","2016","6","87","84512","","10.1039/C6RA14131E","","","0.71073","MoKα","","0.0926","0.0481","","","0.0785","0.0991","","","","","","1.062","","","","has coordinates","287876","2023-11-30","07:26:55",""
"7226537","15.0118","0.0011","19.319","0.0013","6.725","0.0003","90","","90","","90","","1950.3","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cd N4 O7 P -","- C16 H21 Cd N4 O7 P -","- C64 H84 Cd4 N16 O28 P4 -","4","1","","Zhao, Zhou; Yang, Dan; Xing, Bo; Ma, Chao; Sun, Zhen-Gang; Zhu, Yanyu; Li, Huan-Yu; Li, Jing","Cadmium(II) carboxyphosphonates based on the mixed ligands：syntheses, crystal structures and recognition properties for amino acids","RSC Adv.","2016","","","","","10.1039/C6RA20434A","","","0.71073","MoKα","","0.0475","0.0371","","","0.0857","0.094","","","","","","1.069","","","","has coordinates","186539","2020-10-21","18:00:00",""
"7226630","19.999","0.0011","18.6284","0.0011","35.123","0.002","90","","90","","90","","13085.1","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H67 Ca2 Cd4 N5 O35 -","- C76 H67 Ca2 Cd4 N5 O35 -","- C304 H268 Ca8 Cd16 N20 O140 -","4","1","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.083","0.0736","","","0.1774","0.1819","","","","","","1.05","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226687","11.3672","0.0002","8.53265","0.00015","45.911","0.003","90","","90","","90","","4453","0.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H40 N2 O8 S17 -","- C31 H40 N2 O8 S17 -","- C124 H160 N8 O32 S68 -","4","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0391","0.0342","","","0.0765","0.0784","","","","","","1.093","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226721","17.441","0.005","24.502","0.007","4.8317","0.0015","90","","90","","90","","2064.8","1.1","291","2","291","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H22 N6 O6 -","- C20 H22 N6 O6 -","- C80 H88 N24 O24 -","4","1","","Geng, Jiao; Xu, Dan; Zhao, Xiao-Lei; Feng, Ya-Nan; Qian, Hui-Fen; Dai, Yuan; Huang, Wei","N-acylamino-pyridine-2,6-dione based heterocyclic dyes and their oxidative ring-degradation under alkaline condition","RSC Adv.","2016","","","","","10.1039/C6RA21019H","","","0.71073","MoKα","","0.1429","0.0461","","","0.0849","0.1166","","","","","","0.964","","","","has coordinates","186977","2020-10-21","18:00:00",""
"7226790","15.6898","0.0004","10.314","0.0002","13.7275","0.0003","90","","90","","90","","2221.45","0.09","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","methoxyphenyl phenyl benzo cyclohepta benzofuran","6-(2-methoxyphenyl)-5a-phenyl-5aH-benzo[4,5]cyclohepta[1,2-b]benzofuran","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","1","","Gai, Rafaela; do Carmo Pinheiro, Roberto; Neto, José S. S.; Iglesias, Bernardo A.; Acunha, Thiago V.; Back, Davi F.; Zeni, Gilson","The intramolecular 5-exo, 7-endo-dig transition metal-free cyclization sequence of (2-alkynylphenyl) benzyl ethers: synthesis of seven-membered fused benzo[b]furans","Green Chem.","2016","18","24","6648","","10.1039/C6GC02423H","","","1.54178","CuKα","","0.0294","0.0291","","","0.0753","0.0757","","","","","","1.083","","","","has coordinates","190221","2020-10-21","18:00:00",""
"7226816","9.209","0.007","8.898","0.007","15.07","0.012","90","","90","","90","","1234.9","1.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H14 F N O3 -","- C13 H14 F N O3 -","- C52 H56 F4 N4 O12 -","4","1","","Li, Jian; Jiang, Hui; Jie, Haohua","Scandium triflate-catalyzed selective ring opening and rearrangement reaction of spiro-epoxyoxindole and carbonyl compound","RSC Adv.","2016","","","","","10.1039/C6RA21264F","","","0.71073","MoKα","","0.0324","0.0285","","","0.0688","0.0715","","","","","","1.056","","","","has coordinates","187389","2020-10-21","18:00:00",""
"7226872","27.601","0.01","10.773","0.004","7.699","0.003","90","","90","","90","","2289.3","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H19 F3 N2 O5 S -","- C25 H19 F3 N2 O5 S -","- C100 H76 F12 N8 O20 S4 -","4","1","","Emenike, Bright U.; Bey, Sara N.; Spinelle, Ronald A.; Jones, Jacob T.; Yoo, Barney; Zeller, Matthias","Cationic CHπ interactions as a function of solvation.","Physical chemistry chemical physics : PCCP","2016","18","45","30940","30945","10.1039/c6cp06800f","","","0.71073","MoKα","","0.0589","0.0389","","","0.0821","0.0912","","","","","","1.03","","","","has coordinates,has disorder","190284","2020-10-21","18:00:00",""
"7227061","21.5317","0.0007","9.9017","0.0003","16.3749","0.0005","90","","90","","90","","3491.14","0.19","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Eu Mo N12 O7 -","- C23 H42 Eu Mo N12 O7 -","- C92 H168 Eu4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0475","0.0451","","","0.09","0.0932","","","","","","1.123","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227062","21.4968","0.0012","9.8959","0.0005","16.3664","0.0008","90","","90","","90","","3481.6","0.3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Gd Mo N12 O7 -","- C23 H42 Gd Mo N12 O7 -","- C92 H168 Gd4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0429","0.0405","","","0.0866","0.0886","","","","","","1.091","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227088","21.4737","0.001","16.0302","0.0008","5.5546","0.0003","90","","90","","90","","1912.05","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman","Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones","RSC Adv.","2016","6","108","107081","","10.1039/C6RA24291J","","","1.54178","CuKα","","0.076","0.0472","","","0.1067","0.1208","","","","","","0.997","","","","has coordinates","188397","2020-10-21","18:00:00",""
"7227105","8.811","0.003","7.782","0.003","11.657","0.004","90","","90","","90","","799.3","0.5","290","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Fe N2 O6 -","- C3 H8 Fe N2 O6 -","- C12 H32 Fe4 N8 O24 -","4","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.024","0.02","","","0.0494","0.051","","","","","","1.061","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227169","10.6964","0.0011","25.365","0.003","6.2244","0.0006","90","","90","","90","","1688.8","0.3","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-methyl-6,9-dioxobicyclo[3.3.1]nonan-2-yl 3,5-dinitrobenzoate","","- C17 H16 N2 O8 -","- C17 H16 N2 O8 -","- C68 H64 N8 O32 -","4","1","","Marson, C. M.; Richard, Jean-Alexandre; Promontorio, Rossella","Domino Michael-Aldol Annulations for the Stereocontrolled Synthesis of Bicyclo[3.3.1]nonane and Bicyclo[3.2.1]octane Derivatives","RSC Adv.","2016","","","","","10.1039/C6RA23523A","","","0.71073","MoKα","","0.0542","0.0446","","","0.1037","0.1094","","","","","","1.009","","","","has coordinates","188645","2020-10-21","18:00:00",""
"7227437","7.4909","0.0002","11.8073","0.0004","24.3162","0.0008","90","","90","","90","","2150.7","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H18 Mn N8 O8 -","- C14 H18 Mn N8 O8 -","- C56 H72 Mn4 N32 O32 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0452","0.0421","","","0.1113","0.1133","","","","","","1.097","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227556","21.7917","0.0019","11.2285","0.001","7.3897","0.0006","90","","90","","90","","1808.2","0.3","147","2","147","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H22 B F2 N3 O2 -","- C19 H22 B F2 N3 O2 -","- C76 H88 B4 F8 N12 O8 -","4","1","","Sritharan, S. R.; Hussein, B. A.; Machin, D. D.; El-Aooiti, M. A.; Adjei, J. A.; Singh, J. K.; Pau, J. T. H.; Dhindsa, J. S.; Lough, A. J.; Koivisto, B. D.","Managing nucleophilic addition reactions to tune the physical properties of 2-substituted pentamethylBODIPY derivatives","RSC Adv.","2017","7","15","8922","","10.1039/C6RA28114A","","","0.71073","MoKα","","0.1199","0.0492","","","0.0895","0.1116","","","","","","0.967","","","","has coordinates","191051","2020-10-21","18:00:00",""
"7227715","20.187","0.003","10.5943","0.0015","24.296","0.004","90","","90","","90","","5196.1","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H52 Mn3 N5 O20 -","- C56 H52 Mn3 N5 O20 -","- C224 H208 Mn12 N20 O80 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.043","0.0319","","","0.0663","0.0705","","","","","","1.032","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227774","7.521","0.004","19.628","0.009","11.313","0.005","90","","90","","90","","1670","1.4","296.15","","296.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Mao, Zhong-Yuan; Liao, Xiao-Yun; Wang, Heng-Shan; Wang, Chun-Gu; Huang, Ke-Bin; Pan, Ying-Ming","Acid-catalyzed tandem reaction for the synthesis of pyridine derivatives via CC/C(sp3)‒N bond cleavage of enones and primary amines","RSC Adv.","2017","7","22","13123","","10.1039/C7RA00780A","","","0.71073","MoKα","","0.0477","0.0404","","","0.1058","0.1128","","","","","","1.056","","","","has coordinates","192747","2020-10-21","18:00:00",""
"7227812","6.7868","0.0014","20.823","0.004","7.4953","0.0015","90","","90","","90","","1059.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H14 Cd Cl3 N -","- C6 H14 Cd Cl3 N -","- C24 H56 Cd4 Cl12 N4 -","4","1","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.0536","0.0476","","","0.0909","0.0932","","","","","","1.056","","","","has coordinates","195036","2020-10-21","18:00:00",""
"7228233","18.5169","0.0019","14.165","0.0015","11.4339","0.0011","90","","90","","90","","2999","0.5","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H32 Ag Cl N2 O6 -","- C34 H32 Ag Cl N2 O6 -","- C136 H128 Ag4 Cl4 N8 O24 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0713","0.0461","","","0.0832","0.0906","","","","","","1.066","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228235","18.3851","0.0014","14.1175","0.0011","11.4036","0.0009","90","","90","","90","","2959.8","0.4","93","","93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H32 Ag B F4 N2 O2 -","- C34 H32 Ag B F4 N2 O2 -","- C136 H128 Ag4 B4 F16 N8 O8 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0318","0.0274","","","0.0585","0.0603","","","","","","1.171","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228501","19.606","0.009","11.969","0.005","8.053","0.004","90","","90","","90","","1889.8","1.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","1","","Pessêgo, Márcia; Basílio, Nuno; Mendoza, Johan; Avó, João; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando","Exploring the diethylaminoflavylium derivatives multistate system of chemical reactions in the presence of CTAB micelles: thermodynamic reversibility achieved through different kinetic pathways","RSC Adv.","2017","7","48","30469","","10.1039/C7RA04514J","","","0.71073","MoKα","","0.145","0.0644","","","0.0995","0.1196","","","","","","0.999","","","","has coordinates","197884","2020-10-21","18:00:00",""
"7228579","15.436","0.002","10.2155","0.0017","12.2521","0.0019","90","","90","","90","","1932","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Cu2 N2 O9 -","- C20 H14 Cu2 N2 O9 -","- C80 H56 Cu8 N8 O36 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0254","0.0241","","","0.0637","0.0643","","","","","","1.071","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228665","20.6307","0.0007","20.0351","0.0008","12.2542","0.0004","90","","90","","90","","5065.1","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H45 N3 O6 -","- C48 H45 N3 O6 -","- C192 H180 N12 O24 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.101","0.0494","","","0.0875","0.0962","","","","","","0.975","","","","has coordinates","198568","2020-10-21","18:00:00",""
"7228844","16.5437","0.0005","31.4061","0.0009","4.4844","0.0001","90","","90","","90","","2329.97","0.11","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H18 F4 I2 N4 O3 -","- C19 H18 F4 I2 N4 O3 -","- C76 H72 F16 I8 N16 O12 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.0953","0.0531","","","0.1338","0.1613","","","","","","1.031","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7229333","9.28","0.003","4.5988","0.0016","14.376","0.005","90","","90","","90","","613.5","0.4","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H8 N6 O2 -","- C2 H8 N6 O2 -","- C8 H32 N24 O8 -","4","1","","Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li","A facile method to prepare energetic materials (EMs)","RSC Adv.","2017","7","76","48161","","10.1039/C7RA08115D","","","0.71073","MoKα","","0.0366","0.0343","","","0.0764","0.078","","","","","","1","","","","has coordinates","202016","2020-10-21","18:00:00",""
"7229337","16.2089","0.0001","14.1348","0.0001","12.8434","0.0001","90","","90","","90","","2942.55","0.04","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H34 Cd Cl2 N6 O8 -","- C22 H34 Cd Cl2 N6 O8 -","- C88 H136 Cd4 Cl8 N24 O32 -","4","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.0242","0.0239","","","0.0674","0.0678","","","","","","1.055","","","","has coordinates","202049","2020-10-21","18:00:00",""
"7229350","31.336","0.004","8.0711","0.001","15.218","0.002","90","","90","","90","","3848.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","SMT-DMA","Sulfamethazine -DMA Solvate","","- C16 H23 N5 O3 S -","- C16 H23 N5 O3 S -","- C128 H184 N40 O24 S8 -","8","2","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.1661","0.0683","","","0.1113","0.1419","","","","","","1.001","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229466","23.9","0.04","5.288","0.009","10.524","0.019","90","","90","","90","","1330","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","(E)-4-(3-fluorobenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","(E)-4-(3-fluorobenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","","- C13 H11 F4 N O2 -","- C13 H11 F4 N O2 -","- C52 H44 F16 N4 O8 -","4","1","","Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.","Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines","RSC Advances","2017","7","80","50955","","10.1039/C7RA11216E","","","0.71073","MoKα","","0.1116","0.0647","","","0.1684","0.2017","","","","","","0.967","","","","has coordinates,has disorder","202514","2020-10-21","18:00:00",""
"7229522","8.1907","0.0005","24.8299","0.0016","7.3077","0.0005","90","","90","","90","","1486.2","0.17","302","2","301.83","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.1116","0.0859","","","0.2017","0.2239","","","","","","1.025","","","","has coordinates,has disorder","202888","2020-10-21","18:00:00",""
"7229583","16.581","0.002","15.248","0.002","15.9","0.002","90","","90","","90","","4020","0.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H30 Cd Cl2 N6 O12 -","- C36 H30 Cd Cl2 N6 O12 -","- C144 H120 Cd4 Cl8 N24 O48 -","4","1","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","","0.71073","MoKα","","0.0427","0.0395","","","0.1008","0.1032","","","","","","1.073","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229628","7.8613","0.001","24.495","0.003","6.1207","0.0008","90","","90","","90","","1178.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H5 N3 S2 -","- C13 H5 N3 S2 -","- C52 H20 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.0348","0.0303","","","0.0676","0.0691","","","","","","1.062","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229864","30.7094","0.0013","7.0123","0.0003","7.4215","0.0004","90","","90","","90","","1598.17","0.13","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 Zn -","- C12 H17 N3 O7 Zn -","- C48 H68 N12 O28 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0636","0.0468","","","0.1106","0.1231","","","","","","1.019","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229868","31.0771","0.0015","7.1271","0.0004","7.6076","0.0004","90","","90","","90","","1685","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 Cd N3 O7 -","- C12 H17 Cd N3 O7 -","- C48 H68 Cd4 N12 O28 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0829","0.0478","","","0.064","0.0724","","","","","","0.994","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229870","31.782","0.002","7.0949","0.0005","7.3953","0.0005","90","","90","","90","","1667.57","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O6 S Zn -","- C12 H17 N3 O6 S Zn -","- C48 H68 N12 O24 S4 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0581","0.0454","","","0.101","0.111","","","","","","1.022","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229889","10.5529","0.0018","25.439","0.005","8.9279","0.0015","90","","90","","90","","2396.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline-propanoic acid solvate","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.0782","0.0429","","","0.0915","0.103","","","","","","1.016","","","","has coordinates","228959","2020-10-21","18:00:00",""
"7230038","12.177","0.002","10.283","0.002","24.918","0.005","90","","90","","90","","3120.1","1","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C128 H160 N32 O32 -","8","2","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.085","0.0732","","","0.1818","0.1908","","","","","","1.052","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230139","20.911","0.002","5.3366","0.0005","10.8719","0.0009","90","","90","","90","","1213.23","0.19","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0766","0.047","","","0.0698","0.0802","","","","","","0.992","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230140","9.8994","0.0007","6.8199","0.0003","20.3396","0.0015","90","","90","","90","","1373.19","0.15","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0926","0.0535","","","0.0925","0.1075","","","","","","1.056","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230142","24.185","0.003","12.6631","0.0018","4.7046","0.0008","90","","90","","90","","1440.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.2087","0.0769","","","0.078","0.1091","","","","","","0.929","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230280","13.5465","0.0003","11.691","0.0003","28.9847","0.0007","90","","90","","90","","4590.37","0.19","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H64 Co2 Mo3 N12 O29 -","- C18 H50 Co2 Mo3 N12 O29 -","- C72 H200 Co8 Mo12 N48 O116 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0425","0.0311","","","0.067","0.0688","","","","","","0.913","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230427","10.4953","0.0009","19.9612","0.0019","8.1903","0.0007","90","","90","","90","","1715.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.1027","0.0564","","","0.0973","0.1144","","","","","","1.036","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230437","7.8327","0.0005","16.019","0.0013","15.1017","0.0019","90","","90","","90","","1894.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 N O6 S -","- C20 H23 N O6 S -","- C80 H92 N4 O24 S4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0315","0.0302","","","0.0774","0.078","","","","","","1.014","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230612","34.001","0.005","8.9797","0.0014","8.97","0.0014","90","","90","","90","","2738.7","0.7","298","2","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H26 N6 O10 -","- C23 H26 N6 O10 -","- C92 H104 N24 O40 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1143","0.0902","","","0.2626","0.2823","","","","","","1.07","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230653","13.501","0.003","11.13","0.002","34.928","0.007","90","","90","","90","","5248.5","1.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H34 Cd3 N3 O23 P3 -","- C42 H34 Cd3 N3 O23 P3 -","- C168 H136 Cd12 N12 O92 P12 -","4","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","","0.71073","MoKα","","0.0779","0.0723","","","0.1917","0.197","","","","","","1.042","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230664","12.617","0.001","6.6369","0.0005","19.145","0.0017","90","","90","","90","","1603.2","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 F N O4 -","- C18 H22 F N O4 -","- C72 H88 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0605","0.0419","","","0.1096","0.1275","","","","","","0.806","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230673","12.735","0.003","6.5866","0.0009","18.883","0.003","90","","90","","90","","1583.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6'-phenylspiro[adamantane-2,2'-[1,3,4,8,6]tetraoxazocane]","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0645","0.049","","","0.1276","0.1483","","","","","","0.945","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230791","30.643","0.004","13.4778","0.0016","23.218","0.003","90","","90","","90","","9589","2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C87 H138 N16 O3 S6 -","- C87 H138 N16 O3 S6 -","- C348 H552 N64 O12 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.2414","0.0704","","","0.1383","0.1985","","","","","","0.933","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230793","30.977","0.006","13.483","0.003","23.39","0.005","90","","90","","90","","9769","4","298","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C86 H138 N16 O4 S7 -","- C86 H138 N16 O4 S7 -","- C344 H552 N64 O16 S28 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1776","0.0662","","","0.153","0.2066","","","","","","0.902","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230820","7.7651","0.0006","16.4066","0.0012","14.1404","0.0015","90","","90","","90","","1801.5","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 O5 S -","- C22 H16 O5 S -","- C88 H64 O20 S4 -","4","1","","Chen, Zhengkai; Liu, Nai-Wei; Bolte, Michael; Ren, Hongjun; Manolikakes, Georg","Visible-light mediated 3-component synthesis of sulfonylated coumarins from sulfur dioxide","Green Chemistry","2018","20","13","3059","","10.1039/C8GC00838H","","","0.71073","MoKα","","0.0359","0.0299","","","0.0632","0.0647","","","","","","0.976","","","","has coordinates","230102","2020-10-21","18:00:00",""
"7230836","50.3437","0.0018","17.142","0.0005","10.2119","0.0003","90","","90","","90","","8812.8","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H138 N18 O3 P6 Se6 -","- C57 H138 N18 O3 P6 Se6 -","- C228 H552 N72 O12 P24 Se24 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0403","0.0293","","","0.0556","0.0586","","","","","","1.013","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230854","18.9319","0.0013","9.4899","0.0006","14.4526","0.001","90","","90","","90","","2596.6","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H26 Cl2 N2 O2 -","- C32 H26 Cl2 N2 O2 -","- C128 H104 Cl8 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0801","0.0532","","","0.0962","0.107","","","","","","1.027","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230867","8.6476","0.0003","15.247","0.0004","20.5679","0.0007","90","","90","","90","","2711.88","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Br2 Cu N8 S -","- C21 H20 Br2 Cu N8 S -","- C84 H80 Br8 Cu4 N32 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0465","0.0442","","","0.1269","0.1294","","","","","","1.082","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230868","8.77","0.0003","14.9616","0.0004","20.7948","0.0006","90","","90","","90","","2728.55","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H24 Br2 Cu N7 O1.5 S -","- C21 H24 Br2 Cu N7 O1.5 S -","- C84 H96 Br8 Cu4 N28 O6 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0564","0.0552","","","0.1563","0.1579","","","","","","1.096","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230869","8.8761","0.0003","15.2703","0.0005","21.1399","0.0011","90","","90","","90","","2865.3","0.2","293","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H26 Br2 Cu N6 O2 S -","- C22 H26 Br2 Cu N6 O2 S -","- C88 H104 Br8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0514","0.046","","","0.1388","0.1473","","","","","","1.09","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230870","8.4816","0.0006","15.3597","0.0017","19.7243","0.0015","90","","90","","90","","2569.6","0.4","112","19","112","19","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18.5 H16.25 Br2 Cu N6.75 S -","- C18.5 H16.25 Br2 Cu N6.75 S -","- C74 H65 Br8 Cu4 N27 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0954","0.0843","","","0.2284","0.242","","","","","","1.066","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230871","8.752","0.0002","15.3925","0.0003","20.4584","0.0004","90","","90","","90","","2756.06","0.1","100.01","0.1","100.01","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C80 H96 Br8 Cl8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0442","0.0405","","","0.1083","0.1107","","","","","","1.08","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7231036","17.7212","0.0004","18.6855","0.0006","20.2478","0.0004","90","","90","","90","","6704.6","0.3","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H68 F9 Fe N12 O11 -","- C62 H36 F9 Fe N12 O -","- C248 H144 F36 Fe4 N48 O4 -","4","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0721","0.0618","","","0.1705","0.1839","","","","","","1.063","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231078","16.7927","0.0012","21.2995","0.0013","14.8349","0.0006","90","","90","","90","","5306.1","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H72 Br Cl3 N8 O3 -","- C46 H72 Br Cl3 N8 O3 -","- C184 H288 Br4 Cl12 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2022","0.0901","","","0.1589","0.2352","","","","","","0.836","","","","has coordinates,has disorder","229087","2020-10-21","18:00:00",""
"7231085","16.6856","0.0013","21.5029","0.0018","14.7395","0.0013","90","","90","","90","","5288.4","0.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H71 Cl4 N8 O3 -","- C46 H71 Cl4 N8 O3 -","- C184 H284 Cl16 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1871","0.0956","","","0.1837","0.2218","","","","","","1.19","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231313","27.0703","0.0018","5.7522","0.0004","8.0156","0.0005","90","","90","","90","","1248.14","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H12 F3 N -","- C15 H12 F3 N -","- C60 H48 F12 N4 -","4","1","","Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia","Thermal azide‒alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents","Green Chemistry","2018","20","17","4023","","10.1039/C8GC01797B","","","0.71073","MoKα","","0.0536","0.0489","","","0.1187","0.1228","","","","","","1.136","","","","has coordinates","230095","2020-10-21","18:00:00",""
"7231448","17.0182","0.0006","20.5047","0.0007","3.8678","0.0001","90","","90","","90","","1349.68","0.07","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N4 O -","- C16 H11 N4 O -","- C64 H44 N16 O4 -","4","1","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes","Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.","Physical chemistry chemical physics : PCCP","2018","20","35","22902","22908","10.1039/c8cp03332c","","","1.54178","CuKα","","0.0472","0.0401","","","0.0925","0.0974","","","","","","1.05","","","","has coordinates","230942","2020-10-21","18:00:00",""
"7231526","15.6345","0.0008","11.2144","0.0005","12.7553","0.0006","90","","90","","90","","2236.41","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 N3 O7 Zn -","- C20 H23 N3 O7 Zn -","- C80 H92 N12 O28 Zn4 -","4","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0262","0.0237","","","0.0636","0.0653","","","","","","1.032","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231704","8.2817","0.0004","20.8514","0.0011","12.0986","0.0005","90","","90","","90","","2089.25","0.17","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H12 Bi Br7 N2 O -","- C10 H10 Bi Br7 N2 O -","- C40 H40 Bi4 Br28 N8 O4 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0422","0.0384","","","0.0899","0.0929","","","","","","1.035","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231724","23.135","0.002","18.519","0.002","5.9607","0.0006","90","","90","","90","","2553.8","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H21 K O9 S2 -","- C24 H21 K O9 S2 -","- C96 H84 K4 O36 S8 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0805","0.0578","","","0.0996","0.112","","","","","","1.053","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231751","14.751","0.005","12.781","0.005","11.161","0.005","90","","90","","90","","2104.2","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H19 Mn N O9 -","- C24 H19 Mn N O9 -","- C96 H76 Mn4 N4 O36 -","4","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71069","MoKα","","0.0484","0.0358","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231791","28.6833","0.0002","25.7478","0.0002","15.8316","0.0001","90","","90","","90","","11692.1","0.14","123","2","123","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C328 H160 Ag8 Al8 Cl16 F288 Mo16 N16 O64 P16 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0435","0.043","","","0.1161","0.1165","","","","","","1.058","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231815","12.168","0.002","21.152","0.004","6.9588","0.0014","90","","90","","90","","1791","0.6","200","","200","","","","","","","","","4","P n a 21","P 2c -2n","33","2d","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C76 H88 N16 O4 -","4","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","0.71073","MoKα","","0.056","0.0451","","","0.1144","0.1241","","","","","","1.06","","","","has coordinates,has disorder","211971","2020-10-21","18:00:00",""
"7231888","26.744","0.002","3.866","0.0003","24.352","0.002","90","","90","","90","","2517.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","2","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0398","0.0353","","","0.0898","0.0937","","","","","","1.011","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231889","12.8319","0.0009","11.667","0.0008","9.5936","0.0007","90","","90","","90","","1436.26","0.18","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0356","0.0329","","","0.0862","0.0886","","","","","","1.049","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7232127","12.9604","0.0018","6.4988","0.0009","10.5705","0.0015","90","","90","","90","","890.3","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.94 Ta0.06 Ti0.94 -","- O5 P Rb0.9375 Ta0.0625 Ti0.9375 -","- O40 P8 Rb7.5 Ta0.5 Ti7.5 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","0.71073","MoKα","","0.0638","0.0572","","","0.1535","0.1588","","","","","","1.083","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232128","12.9584","0.0018","6.4968","0.0009","10.5615","0.0015","90","","90","","90","","889.2","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.9 Ta0.1 Ti0.9 -","- O5 P Rb0.8995 Ta0.1005 Ti0.8995 -","- O40 P8 Rb7.196 Ta0.804 Ti7.196 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","1.54178","CuKα","","0.1183","0.118","","","0.3064","0.3065","","","","","","1.154","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232635","21.1261","0.0006","24.8124","0.0006","9.1976","0.0002","90","","90","","90","","4821.3","0.2","230","","230","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H27 N O7 -","- C27 H27 N O7 -","- C216 H216 N8 O56 -","8","2","","Kang, Jing-Wen; Li, Xiang; Chen, Fei-Yu; Luo, Yuan; Zhang, Shu-Cang; Kang, Bin; Peng, Cheng; Tian, Xu; Han, Bo","Protecting group-directed annulations of tetra-substituted oxindole olefins and sulfur ylides: regio- and chemoselective synthesis of cyclopropane- and dihydrofuran-fused spirooxindoles","RSC Advances","2019","9","22","12255","","10.1039/C9RA02192B","","x-ray","1.54184","CuKα","","0.0612","0.0568","","","0.1589","0.1641","","","","","","1.069","","","","has coordinates","214687","2020-10-21","18:00:00",""
"7232822","24.7046","0.0012","14.523","0.0009","22.3879","0.0012","90","","90","","90","","8032.4","0.8","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C120 H96 N4 O32 Zn6 -","- C120 H96 N4 O32 Zn6 -","- C240 H192 N8 O64 Zn12 -","2","0.5","","Xu, W.; Yu, S. S.; Zhang, H.; Duan, H. B.","A three-dimensional metal‒organic framework for a guest-free ultra-low dielectric material","RSC Advances","2019","9","28","16183","","10.1039/C9RA03032H","","x-ray","0.71073","MoKα","","0.1014","0.0884","","","0.2323","0.2429","","","","","","1.054","","","","has coordinates","215467","2020-10-21","18:00:00",""
"7232918","11.1568","0.0015","17.163","0.002","9.1319","0.0015","90","","90","","90","","1748.6","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H24 Cl2 N2 O3 -","- C16 H24 Cl2 N2 O3 -","- C64 H96 Cl8 N8 O12 -","4","1","","Wu, Han-Qing; Yang, Kai; Chen, Xiao-Yun; Arulkumar, Mani; Wang, Neng; Chen, Si-Hong; Wang, Zhao-Yang","A 3,4-dihalo-2(5H)-furanone initiated ring-opening reaction of DABCO in the absence of a metal catalyst and additive and its application in a one-pot two-step reaction","Green Chemistry","2019","21","14","3782","","10.1039/C9GC01740B","","x-ray","0.71073","MoKα","","0.1346","0.0613","","","0.0862","0.104","","","","","","0.892","","","","has coordinates","224620","2020-10-21","18:00:00",""
"7232967","9.6878","0.0005","7.2046","0.0005","17.3573","0.0009","90","","90","","90","","1211.48","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0564","0.0429","","","0.0901","0.0999","","","","","","1.059","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232974","9.727","0.0005","7.2158","0.0005","17.3952","0.0011","90","","90","","90","","1220.94","0.13","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0482","0.0379","","","0.0808","0.0883","","","","","","1.07","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7233079","30.7303","0.0015","6.5809","0.0003","20.933","0.001","90","","90","","90","","4233.3","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H27 B F2 N2 Si -","- C22 H27 B F2 N2 Si -","- C176 H216 B8 F16 N16 Si8 -","8","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.0965","0.0686","","","0.1624","0.1849","","","","","","1.019","","","","has coordinates","216977","2020-10-21","18:00:00",""
"7233421","9.2213","0.0016","13.783","0.002","5.0802","0.0008","90","","90","","90","","645.68","0.18","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-amino-3-chloro-2,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C20 H8 Cl4 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0582","0.0467","","","0.1413","0.1492","","","","","","0.965","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233529","30.388656","","5.045593","","5.93953","","90","","90","","90","","910.701","","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd O4 P -","- C7 H9 Cd O4 P -","- C28 H36 Cd4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0339","8.08334","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233644","17.9874","0.0004","9.2989","0.0008","21.5822","0.0009","90","","90","","90","","3609.9","0.4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C50 H32 N4 O -","- C50 H32 N4 O -","- C200 H128 N16 O4 -","4","1","","Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich","Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off","Journal of Materials Chemistry C","2014","2","","2069","2081","10.1039/C3TC32338B","","x-ray","0.71073","MoKα","","0.0485","0.0395","","","0.0439","0.0444","","","","2.67","2.67","2.52","","","","has coordinates","217973","2020-10-21","18:00:00",""
"7233645","16.6992","0.0007","8.3716","0.0003","49.404","0.002","90","","90","","90","","6906.6","0.5","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H28 N4 O S2 -","- C46 H28 N4 O S2 -","- C368 H224 N32 O8 S16 -","8","2","","Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich","Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off","Journal of Materials Chemistry C","2014","2","","2069","2081","10.1039/C3TC32338B","","x-ray","0.71073","MoKα","","0.0566","0.0361","","","0.0347","0.0363","","","","1.68","1.68","1.53","","","","has coordinates","217974","2020-10-21","18:00:00",""
"7233741","11.3066","0.0015","32.677","0.004","8.6138","0.0012","90","","90","","90","","3182.5","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","[(ppy)2Ir(tBuN)2CPh]","","","- C37 H39 Ir N4 -","- C37 H39 Ir N4 -","- C148 H156 Ir4 N16 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Substituent effect on the electroluminescence efficiency of amidinate-ligated bis(pyridylphenyl) iridium(III) complexes","Journal of Materials Chemistry C","2014","2","","5317","5326","10.1039/C3TC32553A","","","0.71073","MoKα","","0.0367","0.0296","","","0.0599","0.0617","","","","","","1.018","","","","has coordinates","218129","2020-10-21","18:00:00",""
"7233767","18.696","0.002","5.148","0.0007","12.7045","0.0018","90","","90","","90","","1222.8","0.3","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","","M. Lozano Gonzalez; M. E. Sanchez-Vergara; J. R. Alvarez-Bada; M. I. Chavez-Uribe; Ruben A. Toscano; C. Alvarez-Toledano","Synthesis and optical properties of iron(III) complexes of 2- benzylidene-1-indanone derivative thin films","Journal of Materials Chemistry C","2014","2","","5607","5614","10.1039/C4TC00599F","","","0.71073","MoKα","","0.1246","0.052","","","0.0951","0.1227","","","","","","0.992","","","","has coordinates,has disorder","218164","2020-10-21","18:00:00",""
"7233853","13.1154","0.0016","6.6813","0.0005","29.007","0.003","90","","90","","90","","2541.8","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H22 Eu2 N4 O14 -","- C20 H22 Eu2 N4 O14 -","- C80 H88 Eu8 N16 O56 -","4","1","","Yun-Hu Han; Chong-Bin Tian; Qiao-Hong Li; Shao-Wu Du","Highly chemical and thermally stable luminescent EuxTb1-x MOF materials for broad-range pH and temperature sensors","Journal of Materials Chemistry C","2014","2","","8065","8070","10.1039/C4TC01336K","","","0.71073","MoKα","","0.0748","0.0705","","","0.1646","0.1679","","","","","","1.125","","","","has coordinates","218299","2020-10-21","18:00:00",""
"7233854","13.149","0.002","6.6803","0.0012","29.165","0.005","90","","90","","90","","2561.8","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H17 N4 O14 Tb2 -","- C20 H22 N4 O14 Tb2 -","- C80 H88 N16 O56 Tb8 -","4","1","","Yun-Hu Han; Chong-Bin Tian; Qiao-Hong Li; Shao-Wu Du","Highly chemical and thermally stable luminescent EuxTb1-x MOF materials for broad-range pH and temperature sensors","Journal of Materials Chemistry C","2014","2","","8065","8070","10.1039/C4TC01336K","","","0.71073","MoKα","","0.0511","0.0442","","","0.0995","0.1035","","","","","","1.083","","","","has coordinates,has disorder","218300","2020-10-21","18:00:00",""
"7233889","7.22656","0.00017","18.9016","0.0004","8.35979","0.00018","90","","90","","90","","1141.89","0.04","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H4 N4 S3 -","- C12 H4 N4 S3 -","- C48 H16 N16 S12 -","4","1","","Miquel Planells; Mark Nikolka; Michael Hurhangee; Pabitra S. Tuladhar; Andrew J. P. White; James R. Durrant; Henning Sirringhaus; Iain McCulloch","The effect of thiadiazole out-backbone displacement in indacenodithiophene semiconductor polymers","Journal of Materials Chemistry C","2014","2","","8789","8795","10.1039/C4TC01500B","","","1.54184","CuKα","","0.026","0.0249","","","0.0629","0.0637","","","","","","1.055","","","","has coordinates","218346","2020-10-21","18:00:00",""
"7233925","14.306","0.003","10.163","0.002","13.511","0.003","90","","90","","90","","1964.4","0.7","293","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H17 B F2 N2 O -","- C25 H17 B F2 N2 O -","- C100 H68 B4 F8 N8 O4 -","4","1","","Zhenqi Zhang; Pengchong Xue; Peng Gong; Gonghe Zhang; Jiang Peng; Ran Lu","Mechanofluorochromic behaviors of beta-iminoenolate boron complexes functionalized with carbazole","Journal of Materials Chemistry C","2014","2","","9543","9551","10.1039/C4TC01639D","","","0.71073","MoKα","","0.0446","0.0382","","","0.0919","0.0948","","","","","","1.045","","","","has coordinates","218415","2020-10-21","18:00:00",""
"7233957","20.5475","0.0013","10.2304","0.0006","32.811","0.002","90","","90","","90","","6897.2","0.7","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H36 B Cu F4 N5 P -","- C35 H36 B Cu F4 N5 P -","- C280 H288 B8 Cu8 F32 N40 P8 -","8","2","","Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu","Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes","Journal of Materials Chemistry C","2015","3","","138","146","10.1039/C4TC01885K","","","0.71073","MoKα","","0.1386","0.1001","","","0.2609","0.2945","","","","","","1.072","","","","has coordinates","218540","2020-10-21","18:00:00",""
"7233975","13.6058","0.0004","24.4866","0.0007","11.6606","0.0003","90","","90","","90","","3884.84","0.19","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H72 N8 Ni4 O31 -","- C80 H72 N8 Ni4 O31 -","- C160 H144 N16 Ni8 O62 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0407","0.0312","","","0.0678","0.0715","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233989","22.62","0.005","3.966","0.0008","12.201","0.003","90","","90","","90","","1094.6","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0338","0.0266","","","0.0656","0.0693","","","","","","0.957","","","","has coordinates","218569","2020-10-21","18:00:00",""
"7234149","7.73077","0.00013","25.6327","0.0004","5.93311","0.00008","90","","90","","90","","1175.71","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0317","0.0297","","","0.0777","0.0797","","","","","","1.037","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234151","7.7648","0.0001","25.7822","0.0002","5.89423","0.00005","90","","90","","90","","1179.99","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0319","0.0315","","","0.0798","0.0811","","","","","","1.066","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234202","32.4476","0.0003","10.1068","0.0001","17.2959","0.0001","90","","90","","90","","5672.04","0.08","300.99","0.1","300.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H52 Cu4 N12 O14 S8 -","- C42 H52 Cu4 N12 O14 S8 -","- C168 H208 Cu16 N48 O56 S32 -","4","1","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.038","0.0289","","","0.0738","0.0778","","","","","","1.039","","","","has coordinates","223542","2020-10-21","18:00:00",""
"7234221","13.2","0.003","12.855","0.003","11.449","0.002","90","","90","","90","","1942.7","0.7","220","2","220","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0477","0.0453","","","0.1204","0.122","","","","","","1.034","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234226","13.351","0.003","12.726","0.003","11.533","0.002","90","","90","","90","","1959.5","0.7","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0444","0.0437","","","0.116","0.1169","","","","","","1.043","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234453","30.652","0.005","5.3082","0.0009","11.243","0.002","90","","90","","90","","1829.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2245","0.0663","","","0.0764","0.1116","","","","","","0.922","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7234554","22.1463","0.0003","10.5116","0.0001","8.1653","0.0001","90","","90","","90","","1900.83","0.04","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H21 N3 O3 S2 -","- C19 H21 N3 O3 S2 -","- C76 H84 N12 O12 S8 -","4","1","","S. H. Habenicht; S. Schramm; S. Fischer; T. Sachse; F. Herrmann-Westendorf; A. Bellmann; B. Dietzek; M. Presselt; D. Weiss; R. Beckert; H. Gorls","Tuning the polarity and surface activity of hydroxythiazoles - extending the applicability of highly fluorescent self-assembling chromophores to supra-molecular photonic structures","Journal of Materials Chemistry C","2016","4","","958","971","10.1039/C5TC03632A","","","0.71073","MoKα","","0.0222","0.0217","","","0.0588","0.0593","","","","","","1.076","","","","has coordinates","219289","2020-10-21","18:00:00",""
"7234556","8.7383","0.0001","18.1604","0.0002","6.7072","0.0001","90","","90","","90","","1064.37","0.02","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H12 Dy N O8 -","- C6 H12 Dy N O8 -","- C24 H48 Dy4 N4 O32 -","4","1","","Maciej Ptak; Miroslaw Maczka; Anna Gagor; Pawel Gluchowski; Lucyna Macalik","Synthesis, structure and optical properties of two novel luminescent polar dysprosium metal-organic frameworks: [(CH3)2NH2][Dy(HCOO)4] and [N2H5][Dy(HCOO)4]","Journal of Materials Chemistry C","2016","4","","1019","1028","10.1039/C5TC04264J","","","0.71073","MoKα","","0.0131","0.0122","","","0.027","0.0273","","","","","","1.105","","","","has coordinates","219290","2020-10-21","18:00:00",""
"7234691","32.4701","0.0018","16.2657","0.0009","10.7306","0.0006","90","","90","","90","","5667.4","0.5","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C64 H64 N4 O14 -","- C64 H64 N4 O14 -","- C256 H256 N16 O56 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0515","0.0404","","","0.0927","0.0988","","","","","","1.038","","","","has coordinates","223533","2020-10-21","18:00:00",""
"7234832","22.277","0.005","13.12","0.003","52.44","0.012","90","","90","","90","","15327","6","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H86 Dy2 N6 O100 P2 W22 -","- C32 H76 Dy2 N6 O100 P2 W22 -","- C128 H304 Dy8 N24 O400 P8 W88 -","4","1","","Pengtao Ma; Feng Hu; Rong Wan; Yu Huo; Dongdi Zhang; Jingyang Niu; Jingping Wang","Magnetic double-tartaric bridging mono-lanthanide substituted phosphotungstates with photochromic and switchable luminescence properties","Journal of Materials Chemistry C","2016","4","","5424","5433","10.1039/C6TC00960C","","","0.71073","MoKα","","0.1056","0.0625","","","0.1367","0.1602","","","","","","1.026","","","","has coordinates,has disorder","220365","2020-10-21","18:00:00",""
"7234833","22.1047","0.0014","13.0665","0.0009","52.158","0.004","90","","90","","90","","15064.9","1.8","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H86 Er2 N6 O100 P2 W22 -","- C32 H76 Er2 N6 O100 P2 W22 -","- C128 H304 Er8 N24 O400 P8 W88 -","4","1","","Pengtao Ma; Feng Hu; Rong Wan; Yu Huo; Dongdi Zhang; Jingyang Niu; Jingping Wang","Magnetic double-tartaric bridging mono-lanthanide substituted phosphotungstates with photochromic and switchable luminescence properties","Journal of Materials Chemistry C","2016","4","","5424","5433","10.1039/C6TC00960C","","","0.71073","MoKα","","0.1021","0.0591","","","0.1245","0.1454","","","","","","1.032","","","","has coordinates,has disorder","220365","2020-10-21","18:00:00",""
"7234834","22.1006","0.0013","13.0302","0.0007","51.964","0.003","90","","90","","90","","14964.3","1.5","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H86 N6 O100 P2 W22 Yb2 -","- C32 H76 N6 O100 P2 W22 Yb2 -","- C128 H304 N24 O400 P8 W88 Yb8 -","4","1","","Pengtao Ma; Feng Hu; Rong Wan; Yu Huo; Dongdi Zhang; Jingyang Niu; Jingping Wang","Magnetic double-tartaric bridging mono-lanthanide substituted phosphotungstates with photochromic and switchable luminescence properties","Journal of Materials Chemistry C","2016","4","","5424","5433","10.1039/C6TC00960C","","","0.71073","MoKα","","0.1148","0.0648","","","0.137","0.1618","","","","","","1.017","","","","has coordinates,has disorder","220365","2020-10-21","18:00:00",""
"7234933","17.9973","0.0006","11.054","0.0005","10.3194","0.0004","90","","90","","90","","2052.96","0.14","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 I5 N O2 -","- C13 H16 I5 N O2 -","- C52 H64 I20 N4 O8 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0417","0.0385","","","0.0856","0.0874","","","","","","1.107","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7235094","34.537","0.004","9.0077","0.0008","5.7183","0.0005","90","","90","","90","","1779","0.3","428","","428","","","","","","","","","4","P n a 21","P 2c -2n","33","RS-naproxen DL-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","8.76","72.47","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235171","33.707","0.002","16.5828","0.0012","19.1233","0.0011","90","","90","","90","","10689.1","1.2","105.5","1","105.5","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C126 H152 Si6 -","- C126 H152 Si6 -","- C504 H608 Si24 -","4","1","","Zunzhi Wang; Rongjin Li; Yulan Chen; Yuan-Zhi Tan; Zeyi Tu; Xuejiao J. Gao; Huanli Dong; Yuanping Yi; Yu Zhang; Wenping Hu; Klaus Mullen; Long Chen","A novel angularly fused bistetracene: facile synthesis, crystal packing and single-crystal field effect transistors","Journal of Materials Chemistry C","2017","5","","1308","1312","10.1039/C6TC04365H","","x-ray","1.54184","CuKα","","0.2881","0.11","","","0.201","0.2958","","","","","","1.051","","","","has coordinates,has disorder","230990","2020-10-21","18:00:00",""
"7235224","33.4734","0.001","10.5712","0.0004","11.1961","0.0004","90","","90","","90","","3961.8","0.2","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H43 N4 O11 -","- C42 H43 N4 O11 -","- C168 H172 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.0872","0.056","","","0.1358","0.1536","","","","","","1.04","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235262","17.767","0.005","13.134","0.004","8.83","0.003","90","","90","","90","","2060.5","1.1","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H20 N6 O2 Pd S2 -","- C18 H20 N6 O2 Pd S2 -","- C72 H80 N24 O8 Pd4 S8 -","4","1","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.0528","0.0367","","","0.0738","0.0808","","","","","","0.885","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235323","6.285","0.0004","19.165","0.0013","10.0101","0.0007","90","","90","","90","","1205.74","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Naumova, A. S.; Mikhaylov, A. A.; Khomutova, Yu. A.; Novikov, R. A.; Arkhipov, D. E.; Korlyukov, A. A.; Ioffe, S. L.","Three-step assembly of 4-aminotetrahydropyran-2-ones from isoxazoline-2-oxides","RSC Advances","2014","4","24","12467","","10.1039/c3ra47309k","","","0.71073","MoKα","","0.0325","0.0282","","","0.0638","0.0659","","","","","","1.052","","","","has coordinates","232687","2020-10-21","18:00:00",""
"7235324","12.3354","0.0006","14.4555","0.0007","6.7455","0.0003","90","","90","","90","","1202.82","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Naumova, A. S.; Mikhaylov, A. A.; Khomutova, Yu. A.; Novikov, R. A.; Arkhipov, D. E.; Korlyukov, A. A.; Ioffe, S. L.","Three-step assembly of 4-aminotetrahydropyran-2-ones from isoxazoline-2-oxides","RSC Advances","2014","4","24","12467","","10.1039/c3ra47309k","","","0.71073","MoKα","","0.0284","0.0222","","","0.0476","0.0492","","","","","","1.006","","","","has coordinates","232687","2020-10-21","18:00:00",""
"7235493","9.7515","0.0002","65.1244","0.0016","10.1151","0.0003","90","","90","","90","","6423.7","0.3","150","","150","","","","","","","","synthesized","4","P n a 21","P 2c -2n","33","","","","- C62 H80 N12 O14 -","- C62 H80 N12 O14 -","- C248 H320 N48 O56 -","4","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.68889","synchrotron","","0.0799","0.0716","","0.1911","0.1855","0.1911","","","","","","0.9502","","","","has coordinates","233076","2020-10-21","18:00:00",""
"7235556","11.0663","0.0016","10.493","0.0015","14.541","0.002","90","","90","","90","","1688.5","0.4","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 N3 O S -","- C18 H21 N3 O S -","- C72 H84 N12 O4 S4 -","4","1","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0256","0.025","","","0.0627","0.0633","","","","","","1.053","","","","has coordinates,has disorder","233127","2020-10-21","18:00:00",""
"7235977","14.254","0.002","13.5629","0.0019","6.4554","0.0009","90","","90","","90","","1248","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","1","","Jiao, Lijuan; Yu, Changjiang; Wang, Jun; Briggs, Edward A.; Besley, Nicholas A.; Robinson, David; Ruedas-Rama, María J.; Orte, Angel; Crovetto, Luis; Talavera, Eva M.; Alvarez-Pez, Jose M.; Van der Auweraer, Mark; Boens, Noël","Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes","RSC Advances","2015","5","109","89375","","10.1039/C5RA17419H","","","0.71073","MoKα","","0.1318","0.0764","","","0.2216","0.2688","","","","","","1.037","","","","has coordinates","233802","2020-10-21","18:00:00",""
"7236023","14.847","0.011","21.755","0.016","10.693","0.008","90","","90","","90","","3454","4","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H44 F N2 Sb -","- C38 H44 F N2 Sb -","- C152 H176 F4 N8 Sb4 -","4","1","","Preda, Ana Maria; Raţ, Ciprian I.; Silvestru, Cristian; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Hypervalent diorganoantimony(iii) fluorides via diorganoantimony(iii) cations ‒ a general method of synthesis","RSC Advances","2015","5","121","99832","","10.1039/C5RA21788A","","","0.71073","MoKα","","0.0577","0.0476","","","0.1028","0.1078","","","","","","1.075","","","","has coordinates","233844","2020-10-21","18:00:00",""
"7236036","18.5211","0.001","11.1131","0.0006","12.9945","0.0006","90","","90","","90","","2674.6","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H27 Co N4 O9 -","- C30 H27 Co N4 O9 -","- C120 H108 Co4 N16 O36 -","4","1","","Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols","RSC Advances","2016","6","10","8079","","10.1039/C5RA25774C","","","0.71069","MoKα","","0.0694","0.0431","","","0.0852","0.0946","","","","","","1.025","","","","has coordinates","233854","2020-10-21","18:00:00",""
"7236336","16.6803","0.0014","3.7404","0.0003","42.897","0.004","90","","90","","90","","2676.4","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H14 N15 O4.5 -","- C4 H14 N15 O4.5 -","- C32 H112 N120 O36 -","8","2","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","1.54178","CuKα","","0.051","0.0493","","","0.1281","0.1299","","","","","","1.076","","","","has coordinates","235414","2020-10-21","18:00:00",""
"7236369","14.3822","0.0016","9.5669","0.0011","11.2707","0.0013","90","","90","","90","","1550.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","JZ 7-1","","","- C7 H8 N12 O8 -","- C7 H8 N12 O8 -","- C28 H32 N48 O32 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Bridged bisnitramide-substituted furazan-based energetic materials","Journal of Materials Chemistry A","2016","4","43","16961","","10.1039/C6TA08055C","","","0.71073","MoKα","","0.0229","0.022","","","0.0566","0.0573","","","","","","1.018","","","","has coordinates","235454","2020-10-21","18:00:00",""
"7236374","8.2623","0.0007","24.641","0.002","5.6882","0.0004","90","","90","","90","","1158.07","0.16","107.6","","107.6","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H8 N12 O4 -","- C5 H8 N12 O4 -","- C20 H32 N48 O16 -","4","1","","Fu, Wei; Zhao, Baojing; Zhang, Man; Li, Chuan; Gao, Huiqi; Zhang, Jun; Zhou, Zhiming","3,4-Dinitro-1-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine (HANTP) and its salts: primary and secondary explosives","Journal of Materials Chemistry A","2017","5","10","5044","","10.1039/C6TA08376E","","","0.7107","MoKα","","0.0347","0.0313","","","0.071","0.0735","","","","","","1.107","","","","has coordinates","235457","2020-10-21","18:00:00",""
"7236442","16.865","0.002","18.865","0.002","9.523","0.0012","90","","90","","90","","3029.8","0.6","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H26 Cl2 N4 O Zn -","- C33 H26 Cl2 N4 O Zn -","- C132 H104 Cl8 N16 O4 Zn4 -","4","1","","Su, Jian; Zhang, Jun; Tian, Xiaohe; Zhao, Meng; Song, Tao; Yu, Jiancan; Cui, Yuanjing; Qian, Guodong; Zhong, Hong; Luo, Lei; Zhang, Yujin; Wang, Chuankui; Li, Shengli; Yang, Jiaxiang; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of multifunctional coordination polymers based on terpyridine and zinc halide: second-harmonic generation and two-photon absorption properties and intracellular imaging","Journal of Materials Chemistry B","2017","5","27","5458","","10.1039/C6TB03321K","","","0.71073","MoKα","","0.1021","0.05","","","0.1105","0.1274","","","","","","0.987","","","","has coordinates","235515","2020-10-21","18:00:00",""
"7236451","19.575","0.004","15.17","0.003","14.24","0.003","90","","90","","90","","4228.6","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H36 Cd2 N8 O16 -","- C42 H22 Cd2 N8 O16 -","- C168 H88 Cd8 N32 O64 -","4","1","","Zhang, Chenghui; Sun, Libo; Yan, Yan; Liu, Yuchuan; Liang, Zhiqiang; Liu, Yunling; Li, Jiyang","Metal‒organic frameworks based on bipyridinium carboxylate: photochromism and selective vapochromism","Journal of Materials Chemistry C","2017","5","8","2084","","10.1039/C6TC04724F","","","0.71073","MoKα","","0.1098","0.0644","","","0.1425","0.1588","","","","","","1.017","","","","has coordinates","235531","2020-10-21","18:00:00",""
"7236504","23.725","0.004","5.5211","0.001","39.408","0.007","90","","90","","90","","5162","1.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Velutinindimer B","","- C30 H28 O8 -","- C30 H28 O8 -","- C240 H224 O64 -","8","2","","Wongsa, N.; Kanokmedhakul, K.; Boonmak, J.; Youngme, S.; Kanokmedhakul, S.","Bicyclic lactones and racemic mixtures of dimeric styrylpyrones from the leaves of Miliusa velutina","RSC Advances","2017","7","41","25285","","10.1039/C7RA01609C","","","0.71073","MoKα","","0.1017","0.0508","","","0.1043","0.1225","","","","","","1.021","","","","has coordinates","236235","2020-10-21","18:00:00",""
"7236602","18.903","0.01","6.311","0.003","17.95","0.009","90","","90","","90","","2141.4","1.9","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","MT2II","","","- C8 H9 I N2 S -","- C8 H9 I N2 S -","- C64 H72 I8 N16 S8 -","8","2","","Zhang, Meirong; Jin, Zhitong; Feng, Chuanqi; Wang, Min; Wang, Zhong-Sheng","Phenyl and thienyl functionalized imidazolium iodides for highly efficient quasi-solid-state dye-sensitized solar cells","Journal of Materials Chemistry A","2017","5","32","16976","","10.1039/C7TA04717G","","","0.71073","MoKα","","0.047","0.0419","","","0.1077","0.1118","","","","","","1.122","","","","has coordinates,has disorder","236346","2020-10-21","18:00:00",""
"7236655","10.5854","0.0016","12.2457","0.0018","16.403","0.002","90","","90","","90","","2126.2","0.5","298","2","298.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 Co N6 O6 S -","- C18 H18 Co N6 O6 S -","- C72 H72 Co4 N24 O24 S4 -","4","1","","Wang, Fan; Zhuo, Hong-Yan; Han, Xiguang; Chen, Wen-Miao; Sun, Di","Foam-like CoO@N,S-codoped carbon composites derived from a well-designed N,S-rich Co-MOF for lithium-ion batteries","Journal of Materials Chemistry A","2017","5","44","22964","","10.1039/C7TA07971K","","","0.71073","MoKα","","0.0339","0.0294","","","0.076","0.0789","","","","","","1.031","","","","has coordinates","236390","2020-10-21","18:00:00",""
"7236702","9.7157","0.0001","23.9775","0.0004","16.191","0.0002","90","","90","","90","","3771.83","0.09","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H82 B20 Ir2 N6 O -","- C76 H82 B20 Ir2 N6 O -","- C152 H164 B40 Ir4 N12 O2 -","2","0.5","","Van Nghia, Nguyen; Park, Sunghee; An, Youngjoon; Lee, Junseong; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Impact of the number of o-carboranyl ligands on the photophysical and electroluminescent properties of iridium(iii) cyclometalates","Journal of Materials Chemistry C","2017","5","12","3024","","10.1039/C7TC00247E","","","0.71073","MoKα","","0.0483","0.0369","","","0.0544","0.0569","","","","","","1.089","","","","has coordinates,has disorder","236450","2020-10-21","18:00:00",""
"7236822","21.9704","0.0009","16.6574","0.0007","13.7024","0.0006","90","","90","","90","","5014.7","0.4","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","(tnt-qzl)2Irtpip","Bis(4-(2,6-bis(trifluoromethyl)pyridin-4-yl)quinazoline)(tetraphenylimidodiphosphinate)iridium(III)","","- C54 H34 F12 Ir N7 O2 P2 -","- C54 H32 F12 Ir N7 O2 P2 -","- C216 H128 F48 Ir4 N28 O8 P8 -","4","1","","Han, Hua-Bo; Cui, Rong-Zhen; Jing, Yi-Ming; Lu, Guang-Zhao; Zheng, You-Xuan; Zhou, Liang; Zuo, Jing-Lin; Zhang, Hongjie","Highly efficient orange-red electroluminescence of iridium complexes with good electron mobility","Journal of Materials Chemistry C","2017","5","32","8150","","10.1039/C7TC02117H","","","0.71073","MoKα","","0.046","0.0328","","","0.0637","0.0673","","","","","","1.002","","","","has coordinates","236545","2020-10-21","18:00:00",""
"7236985","14.2812","0.0013","19.295","0.002","7.9526","0.0011","90","","90","","90","","2191.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","NA-15C5","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C92 H96 N8 O28 -","4","1","","Yang, Wei; Liu, Chunlin; Lu, Shuang; Du, Jinya; Gao, Qingyun; Zhang, Ronghua; Liu, Yi; Yang, Changying","AIE-active smart cyanostyrene luminogens: polymorphism-dependent multicolor mechanochromism","Journal of Materials Chemistry C","2018","6","2","290","","10.1039/C7TC04773H","","","1.54178","CuKα","","0.059","0.0499","","","0.1488","0.1577","","","","","","1.049","","","","has coordinates","236692","2020-10-21","18:00:00",""
"7237092","12.451","0.0007","18.5872","0.001","7.9138","0.0005","90","","90","","90","","1831.48","0.18","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 O5 P -","- C20 H19 O5 P -","- C80 H76 O20 P4 -","4","1","","Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao","Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols","Green Chemistry","2018","20","22","5111","","10.1039/C8GC02918K","","","0.71073","MoKα","","0.0429","0.0362","","","0.0867","0.0919","","","","","","1.041","","","","has coordinates","236864","2020-10-21","18:00:00",""
"7237194","9.7268","0.0006","8.3199","0.0005","9.821","0.0006","90","","90","","90","","794.77","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H3 N5 O4 -","- C6 H3 N5 O4 -","- C24 H12 N20 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0317","0.028","","","0.0648","0.0668","","","","","","1.043","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237361","18.4571","0.0008","16.2012","0.0007","6.5052","0.0004","90","","90","","90","","1945.23","0.17","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H25 N3 O S -","- C23 H25 N3 O S -","- C92 H100 N12 O4 S4 -","4","1","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.7107","MoKα","","0.0601","0.0444","","","0.0998","0.1107","","","","","","1.015","","","","has coordinates","237626","2020-10-21","18:00:00",""
"7237373","11.9322","0.0005","12.5611","0.0004","30.2148","0.0009","90","","90","","90","","4528.6","0.3","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H20 B2 N2 S2 -","- C28 H20 B2 N2 S2 -","- C224 H160 B16 N16 S16 -","8","2","","Han, Yi; Yuan, Wei; Wang, Hongyan; Li, Mengwei; Zhang, Wenqin; Chen, Yulan","Dual-responsive BN-embedded phenacenes featuring mechanochromic luminescence and ratiometric sensing of fluoride ions","Journal of Materials Chemistry C","2018","6","39","10456","","10.1039/C8TC02449A","","","0.71073","MoKα","","0.0623","0.0468","","","0.1058","0.112","","","","","","1.045","","","","has coordinates","237636","2020-10-21","18:00:00",""
"7237598","38.055","0.0016","8.6859","0.0004","48.844","0.002","90","","90","","90","","16145","1.2","170","2","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H47 B11 N4 S -","- C35 H47 B11 N4 S -","- C560 H752 B176 N64 S16 -","16","4","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine‒benzothiadiazole‒monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","1.34139","GaKα","","0.1115","0.0997","","","0.2594","0.2723","","","","","","1.021","","","","has coordinates","237791","2020-10-21","18:00:00",""
"7237653","6.934","0.0002","12.4025","0.0004","15.5088","0.0004","90","","90","","90","","1333.74","0.07","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H2 N8 O2 -","- C3 H2 N8 O2 -","- C24 H16 N64 O16 -","8","2","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0395","0.0298","","","0.0679","0.0719","","","","","","1.032","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237710","19.24398","0.00015","21.13245","0.00017","6.19786","0.00005","90","","90","","90","","2520.5","0.03","223","","223","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H22 N4 O S -","- C34 H22 N4 O S -","- C136 H88 N16 O4 S4 -","4","1","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0319","0.0309","","","0.0805","0.0814","","","","","","1.044","","","","has coordinates","238548","2020-10-21","18:00:00",""
"7237893","24.062","0.002","6.2048","0.0007","27.631","0.003","90","","90","","90","","4125.3","0.7","123","","123","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H40 Cl4 N4 O4 -","- C46 H40 Cl4 N4 O4 -","- C184 H160 Cl16 N16 O16 -","4","1","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0825","0.0732","","","0.1982","0.2046","","","","","","1.139","","","","has coordinates","238716","2020-10-21","18:00:00",""
"7237961","8.1632","0.0004","33.999","0.002","10.2383","0.0005","90","","90","","90","","2841.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C148 H120 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D‒π‒A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.0704","0.0445","","","0.0967","0.1109","","","","","","1.056","","","","has coordinates","238794","2020-10-21","18:00:00",""
"7237962","8.1615","0.0002","33.9887","0.0012","10.2333","0.0003","90","","90","","90","","2838.7","0.15","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C148 H120 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D‒π‒A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.0674","0.0441","","","0.0845","0.0965","","","","","","1.062","","","","has coordinates","238794","2020-10-21","18:00:00",""
"7238052","20.554","0.002","7.7056","0.0008","23.283","0.003","90","","90","","90","","3687.6","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H34 N10 O4 -","- C44 H34 N10 O4 -","- C176 H136 N40 O16 -","4","1","","Yang, Ruchun; Deng, Si; Dong, Xiang-you; Song, Xianrong; Cai, Hu; Bai, Jiang; Xiao, Qiang","Metal-free synthesis of 1,N6-ethenoadenines from N6-propargyl-adenines via NIS mediated radical cascade reaction","RSC Advances","2019","9","66","38897","","10.1039/C9RA09198J","","","0.71073","MoKα","","0.1028","0.0671","","","0.1531","0.173","","","","","","1.096","","","","has coordinates","243772","2020-10-21","18:00:00",""
"7238149","16.769","0.003","12.475","0.003","12.346","0.003","90","","90","","90","","2582.7","1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Co N4 O7 -","- C24 H28 Co N4 O7 -","- C96 H112 Co4 N16 O28 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0387","0.0333","","","0.0817","0.0845","","","","","","1.041","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238267","8.7719","0.0006","11.5346","0.0008","12.2848","0.0009","90","","90","","90","","1242.98","0.15","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H21 N3 O7 P2 -","- C5 H21 N3 O7 P2 -","- C20 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0217","0.0212","","","0.0588","0.0592","","","","","","1.074","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238421","30.0276","0.0003","23.8378","0.0003","8.9679","0.0002","90","","90","","90","","6419.15","0.18","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C64 H76 Cl F6 N6 O16 P -","- C64 H76 Cl F6 N6 O16 P -","- C256 H304 Cl4 F24 N24 O64 P4 -","4","1","","Evans, Nicholas H.; Allinson, Emma S. H.; Lankshear, Michael D.; Ng, Ka-Yuen; Cowley, Andrew R.; Serpell, Christopher J.; Santos, Sérgio M.; Costa, Paulo J.; Félix, Vítor; Beer, Paul D.","Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media","RSC Advances","2011","1","6","995","","10.1039/c1ra00394a","","","0.71073","MoKα","","0.0702","0.0407","","0.0664","0.0459","0.0459","","","","","","1.1343","","","","has coordinates","244167","2020-10-21","18:00:00",""
"7238430","16.5695","0.0006","15.0759","0.0006","11.296","0.0006","90","","90","","90","","2821.7","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H32 O2 -","- C36 H32 O2 -","- C144 H128 O8 -","4","1","","Zhu, Shugao; Wu, Luling; Huang, Xian","Palladium-catalyzed sequential reaction viaSonogashira coupling, isomerization, Claisen rearrangement and [4 + 2] cycloaddition sequence for the rapid synthesis of tricyclo[3.2.1.02,7]oct-3-ene derivatives","RSC Adv.","2012","2","1","132","","10.1039/C1RA00452B","","","1.54184","CuKα","","0.0715","0.0408","","","0.0865","0.0985","","","","","","0.983","","","","has coordinates","244170","2020-10-21","18:00:00",""
"7238489","6.5078","0.0011","19.897","0.002","10.9177","0.0018","90","","90","","90","","1413.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 -","- C12 H17 N3 O7 -","- C48 H68 N12 O28 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.043","0.0368","","","0.0844","0.0887","","","","","","1.044","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238497","13.15","0.003","13.022","0.003","7.241","0.0014","90","","90","","90","","1239.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1216","0.0607","","","0.1158","0.1395","","","","","","1.02","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238543","14.707","0.002","5.1858","0.0008","17.973","0.003","90","","90","","90","","1370.8","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 Co N4 -","- C18 H14 Co N4 -","- C72 H56 Co4 N16 -","4","1","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","0.71073","MoKα","","0.084","0.0535","","","0.1272","0.1457","","","","","","1.062","","","","has coordinates","244225","2020-10-21","18:00:00",""
"7238556","21.5703","0.0008","5.9474","0.0002","10.9774","0.0004","90","","90","","90","","1408.26","0.09","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 Fe O -","- C19 H14 Fe O -","- C76 H56 Fe4 O4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.0179","0.0177","","","0.0414","0.0415","","","","","","1.047","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238559","25.389","0.0009","10.1455","0.0004","5.8173","0.0002","90","","90","","90","","1498.44","0.09","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H18 Fe O Si -","- C16 H18 Fe O Si -","- C64 H72 Fe4 O4 Si4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.029","0.0253","","","0.0651","0.0768","","","","","","1.186","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238643","13.3588","0.001","10.7992","0.0008","16.6412","0.0012","90","","90","","90","","2400.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H24 Br Cl2 N3 -","- C24 H24 Br Cl2 N3 -","- C96 H96 Br4 Cl8 N12 -","4","1","","Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah","Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’","RSC Advances","2012","2","13","5506","","10.1039/c2ra20539d","","","0.71073","MoKα","","0.0668","0.0323","","","0.0665","0.077","","","","","","0.993","","","","has coordinates","244270","2020-10-21","18:00:00",""
"7238677","32.031","0.019","9.999","0.006","15.155","0.009","90","","90","","90","","4854","5","238","2","238","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H74 Li2 N4 O3 Si2 -","- C44 H74 Li2 N4 O3 Si2 -","- C176 H296 Li8 N16 O12 Si8 -","4","1","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.1664","0.0812","","","0.1906","0.2462","","","","","","1.015","","","","has coordinates,has disorder","244284","2020-10-21","18:00:00",""
"7238874","18.05","0.004","6.754","0.0014","21.429","0.004","90","","90","","90","","2612.4","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H32 Br2 N4 -","- C26 H32 Br2 N4 -","- C104 H128 Br8 N16 -","4","1","","Yang, Wei; Gou, Gao-Zhang; Wang, Yi; Fu, Wen-Fu","Abnormal bis-NHC mediated aerial oxidation of arylaldehydes: highly efficient transformation of arylaldehydes to the corresponding carboxylic acids catalyzed by organic catalysts","RSC Advances","2013","3","18","6334","","10.1039/c3ra00046j","","","0.71073","MoKα","","0.1203","0.0553","","","0.1322","0.1715","","","","","","1.064","","","","has coordinates","244439","2020-10-21","18:00:00",""
"7238977","12.522","0.003","22.397","0.005","9.999","0.002","90","","90","","90","","2804.3","1.1","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H21 B Cl2 F2 Ir N3 O3 -","- C29 H21 B Cl2 F2 Ir N3 O3 -","- C116 H84 B4 Cl8 F8 Ir4 N12 O12 -","4","1","","Sun, Huibin; Yang, Lijuan; Yang, Huiran; Liu, Shujuan; Xu, Wenjuan; Liu, Xiangmei; Tu, Zhenzhen; Su, Haiquan; Zhao, Qiang; Huang, Wei","Heteronuclear phosphorescent iridium(iii) complexes with tunable photophysical and excited-state properties by chelating BF2 moiety for application in bioimaging","RSC Advances","2013","3","23","8766","","10.1039/c3ra40639c","","","0.71073","MoKα","","0.0322","0.0266","","","0.0621","0.0681","","","","","","1.047","","","","has coordinates","244489","2020-10-21","18:00:00",""
"7239060","9.88","0.0005","22.9781","0.0015","6.1558","0.0004","90","","90","","90","","1397.51","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 O2 S -","- C16 H12 N2 O2 S -","- C64 H48 N8 O8 S4 -","4","1","","Tiwari, Karishma; Mishra, Monika; Singh, Vinod P.","A highly sensitive and selective fluorescent sensor for Al3+ ions based on thiophene-2-carboxylic acid hydrazide Schiff base","RSC Advances","2013","3","30","12124","","10.1039/c3ra41573b","","","0.71073","MoKα","","0.0619","0.0439","","","0.0852","0.0963","","","","","","1.065","","","","has coordinates","244529","2020-10-21","18:00:00",""
"7239080","20.791","0.011","5.874","0.003","11.646","0.006","90","","90","","90","","1422.3","1.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Fe N2 O -","- C17 H16 Fe N2 O -","- C68 H64 Fe4 N8 O4 -","4","1","","Kashyap, Bishwapran; Phukan, Prodeep","A new ferrocene-based bulky pyridine as an efficient reusable homogeneous catalyst","RSC Advances","2013","3","35","15327","","10.1039/c3ra41674g","","","0.71073","MoKα","","0.0358","0.0335","","","0.0733","0.0742","","","","","","1.1","","","","has coordinates","244537","2020-10-21","18:00:00",""
"7239175","23.2721","0.0005","3.8985","0.0001","16.3943","0.0003","90","","90","","90","","1487.39","0.06","110","2","109.8","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H13 N O3 -","- C20 H13 N O3 -","- C80 H52 N4 O12 -","4","1","","Mamane, Victor; Chamas, Zein; Aubert, Emmanuel; Fort, Yves","Ag2O mediated N-demethylation and oxidative opening of indenopyrido[2,1-a]isoindolones. Efficient access to polysubstituted 1-azafluorenones","RSC Advances","2013","3","41","19110","","10.1039/c3ra43278e","","","1.5418","CuKα","","0.0251","0.0244","","","0.0694","0.0695","","","","","","1.085","","","","has coordinates","244585","2020-10-21","18:00:00",""
"7239308","12.8233","0.0009","16.9231","0.0015","9.0073","0.0006","90","","90","","90","","1954.7","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H26 N2 -","- C24 H26 N2 -","- C96 H104 N8 -","4","1","","Shelke, Ganesh M.; Rao, V. Kameshwara; Tiwari, Rakesh K.; Chhikara, Bhupender S.; Parang, Keykavous; Kumar, Anil","Bismuth triflate-catalyzed condensation of indoles with acetone","RSC Advances","2013","3","44","22346","","10.1039/c3ra44693j","","","0.71073","MoKα","","0.1091","0.0757","","","0.1575","0.2001","","","","","","1.098","","","","has coordinates","244645","2020-10-21","18:00:00",""
"7239420","17.924","0.007","14.035","0.006","5.888","0.002","90","","90","","90","","1481.2","1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H17 F N2 -","- C18 H17 F N2 -","- C72 H68 F4 N8 -","4","1","","Pal, Gargi; Paul, Sanjay; Ghosh, Partha Pratim; Das, Asish R.","PhIO promoted synthesis of nitrile imines and nitrile oxides within a micellar core in aqueous media: a regiocontrolled approach to synthesizing densely functionalized pyrazole and isoxazoline derivatives","RSC Advances","2014","4","16","8300","","10.1039/c3ra46129g","","","0.71073","MoKα","","0.0627","0.0438","","","0.0995","0.1117","","","","","","0.996","","","","has coordinates","244695","2020-10-21","18:00:00",""
"7239447","14.939","0.0005","24.6385","0.0008","10.4127","0.0003","90","","90","","90","","3832.6","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H19 Ag3 F18 Fe N6 O -","- C33 H19 Ag3 F18 Fe N6 O -","- C132 H76 Ag12 F72 Fe4 N24 O4 -","4","1","","Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.","Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes","RSC Advances","2014","4","16","8350","","10.1039/c3ra47040g","","","0.71073","MoKα","","0.0442","0.0318","","","0.0524","0.0567","","","","","","1.003","","","","has coordinates","244713","2020-10-21","18:00:00",""
"7239529","11.1074","0.0007","9.5233","0.0006","10.977","0.0007","90","","90","","90","","1161.14","0.13","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-dinitro-N-(2,2,2-trinitroethyl)-1H-imidazol-1-amine","","- C5 H4 N8 O10 -","- C5 H4 N8 O10 -","- C20 H16 N32 O40 -","4","1","","Yin, Ping; Zhang, Qinghua; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Trinitroethylamino functionalization of nitroimidazoles: a new strategy for high performance energetic materials","Journal of Materials Chemistry A","2013","1","25","7500","","10.1039/c3ta11356f","","","0.71073","MoKα","","0.0412","0.0387","","","0.1071","0.1096","","","","","","1.061","","","","has coordinates","244748","2020-10-21","18:00:00",""
"7239720","13.1979","0.0016","11.4803","0.001","10.34","0.0009","90","","90","","90","","1566.7","0.3","200","0.1","200","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","1","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.1202","0.0648","","","0.1069","0.1316","","","","","","1.039","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239809","18.0826","0.0012","13.3216","0.0009","21.9623","0.0015","90","","90","","90","","5290.5","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H39 La2 N9 O15 -","- C45 H39 La2 N9 O15 -","- C180 H156 La8 N36 O60 -","4","1","","Tshuma, Piwai; Makhubela, Banothile C. E.; Öhrström, Lars; Bourne, Susan A.; Chatterjee, Nabanita; Beas, Isaac N.; Darkwa, James; Mehlana, Gift","Cyclometalation of lanthanum(iii) based MOF for catalytic hydrogenation of carbon dioxide to formate","RSC Advances","2020","10","6","3593","3605","10.1039/C9RA09938G","","","0.71073","MoKα","","0.081","0.0542","","","0.1371","0.1532","","","","","","1.035","","","","has coordinates,has disorder","258053","2020-10-21","18:00:00",""
"7239820","18.37","0.003","16.06","0.002","27.34","0.003","90","","90","","90","","8065.9","1.9","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate bis(2,2,2-trifluoroethanol) solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) bis(2,2,2-trifluoroethanol) solvate","","- C76 H114 F6 N12 O20 -","- C76 H114 F6 N12 O19.9998 -","- C304 H456 F24 N48 O79.9992 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.3572","0.1129","","","0.2217","0.3249","","","","","","0.909","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239824","18.4656","0.0011","16.0811","0.0011","27.4522","0.0018","90","","90","","90","","8151.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate propan-1-ol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) propan-1-ol solvate","","- C78 H124 N12 O20 -","- C78 H124 N12 O20 -","- C312 H496 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2896","0.0902","","","0.1471","0.2101","","","","","","0.929","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7240345","17.4385","0.0006","4.8748","0.0002","25.7168","0.0009","90","","90","","90","","2186.16","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Chloroquinolin","3-((7-chloroquinolin-4-yl)oxy)propan-1-ol","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0292","0.0266","","","0.0682","0.0696","","","","","","1.04","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240407","7.2918","0.0005","5.987","0.0004","36.209","0.002","90","","90","","90","","1580.74","0.17","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0879","0.0741","","","0.2017","0.2197","","","","","","1.13","","","","has coordinates,has disorder","251199","2020-10-21","18:00:00",""
"7240427","11.5088","0.0005","12.9889","0.0006","7.2608","0.0004","90","","90","","90","","1085.39","0.09","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","4-(benzyloxy)benzaldehyde","4-(phenylmethoxybenzaldehyde","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0315","0.0295","","","0.08","0.0822","","","","","","1.047","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240443","38.544","0.004","5.1102","0.0009","11.6487","0.0018","90","","90","","90","","2294.4","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C88 H88 N8 O32 S8 -","8","2","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.1406","0.0712","","","0.1668","0.2128","","","","","","0.934","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240631","30.03","0.009","3.728","0.0009","21.08","0.008","90","","90","","90","","2359.9","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 2,5-dinitrophenolate","2-aminopyridinium 2,5-dinitrophenolate","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C88 H80 N32 O40 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1611","0.0811","","","0.1027","0.1283","","","","","","1.019","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240634","13.249","0.005","10.91","0.004","11.697","0.004","90","","90","","90","","1690.8","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1131","0.0671","","","0.1349","0.1643","","","","","","1.006","","","","has coordinates,has disorder","252661","2020-10-21","18:00:00",""
"7240637","9.713","0.0003","10.9592","0.0003","5.5558","0.0002","90","","90","","90","","591.4","0.03","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 N O2 P -","- C3 H10 N O2 P -","- C12 H40 N4 O8 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0183","0.0181","","","0.052","0.0522","","","","","","1.15","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240693","9.7621","0.0004","13.2127","0.0004","21.9038","0.0007","90","","90","","90","","2825.23","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H21 N3 O3 -","- C11 H21 N3 O3 -","- C88 H168 N24 O24 -","8","2","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.1517","0.139","","","0.3735","0.3834","","","","","","1.477","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240753","10.4077","","7.7565","","27.7255","","90","","90","","90","","2238.21","","298","2","298","2","","","","","","","see text","6","P n a 21","P 2c -2n","33","Zn-ornidazole","","","- C14 H20 Cl4 N6 O6 Zn -","- C14 H20 Cl4 N6 O6 Zn -","- C56 H80 Cl16 N24 O24 Zn4 -","4","1","","Nandy, Promita; Singha, Soumen; Banyal, Neha; Kumar, Sanjay; Mukhopadhyay, Kasturi; Das, Saurabh","A ZnII complex of ornidazole with decreased nitro radical anions that is still highly active on Entamoeba histolytica","RSC Advances","2020","10","39","23286","23296","10.1039/D0RA02597F","powder diffraction","x-ray","1.54056","Cu-Kα1","","","","","","","","","","","","","","","","","has coordinates","258030","2020-10-21","18:00:00",""
"7240898","14.8116","0.0008","8.7686","0.0004","14.8164","0.0007","90","","90","","90","","1924.31","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Co N4 O4 -","- C16 H10 Co N4 O4 -","- C64 H40 Co4 N16 O16 -","4","1","","Wei, Xiao-Qin; Shao, Dong; Xue, Cai-Long; Qu, Xingyu; Chai, Jie; Li, Jianqing; Du, Yi-En; chen, yongqiang","Field-induced slow magnetic relaxation in two interpenetrated cobalt(II) metal-organic framework isomers","CrystEngComm","2020","","","","","10.1039/D0CE00979B","","","0.71073","MoKα","","0.0829","0.0477","","","0.1149","0.1428","","","","","","0.845","","","","has coordinates","254420","2020-10-21","18:00:00",""
"7240956","21.3482","0.0003","10.96337","0.00012","18.2233","0.0002","90","","90","","90","","4265.13","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Yb -","- C44 H26 F9 N4 O6 Yb -","- C176 H104 F36 N16 O24 Yb4 -","4","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","1.54184","CuKα","","0.0332","0.0329","","","0.0925","0.093","","","","","","1.051","","","","has coordinates","258067","2020-10-21","18:00:00",""
"7241090","15.1584","0.0006","6.9422","0.0003","8.7807","0.0004","90","","90","","90","","924.02","0.07","203","2","203","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H10 Br N3 O S -","- C6 H10 Br N3 O S -","- C24 H40 Br4 N12 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0344","0.0287","","","0.0585","0.0606","","","","","","1.067","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241183","11.8019","0.0001","5.804","","22.3747","0.0002","90","","90","","90","","1532.63","0.019","297","0.3","297","0.3","","","","","","","","5","P n a 21","P 2c -2n","33","","C18H15NO3S","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0287","0.0282","","","0.0724","0.0729","","","","","","1.067","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241334","10.3539","0.0005","10.9951","0.0006","11.059","0.0007","90","","90","","90","","1258.98","0.12","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H11 B F4 N2 O -","- C13 H11 B F4 N2 O -","- C52 H44 B4 F16 N8 O4 -","4","1","","Gao, Wenjing; Wan, Yameng; Zhang, Zhiguo; Wu, Hao; Liu, Tongxin; Zhang, Guisheng","The Hofmann reaction involving annulation of o-(pyridin-2-yl)aryl amides selectively and rapidly leads to potential photocatalytically active 6H-pyrido[1,2-c]quinazolin-6-one derivatives","Green Chemistry","2020","22","22","7955","7961","10.1039/D0GC02777D","","x-ray","0.71073","MoKα","","0.0505","0.0443","","","0.1253","0.1345","","","","","","0.87","","","","has coordinates","259605","2020-12-06","14:25:50",""
"7241479","7.0984","0.0002","21.9932","0.0006","6.5396","0.0002","90","","90","","90","","1020.94","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H10 N2 O3 S -","- C9 H10 N2 O3 S -","- C36 H40 N8 O12 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0377","0.0321","","","0.0752","0.0791","","","","","","1.05","","","","has coordinates","259294","2020-11-29","02:34:18",""
"7241610","6.988","0.0002","30.2686","0.0008","6.251","0.0002","90","","90","","90","","1322.19","0.07","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","tropolone","","- C14 H14 O5 S -","- C14 H14 O5 S -","- C56 H56 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0446","0.0413","","","0.0953","0.0975","","","","","","1.041","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241681","9.3493","0.0002","6.9787","0.0001","9.155","0.0002","90","","90","","90","","597.33","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","methyl ammonium methyl carbamate","methyl ammonium methyl carbamate","","- C3 H10 N2 O2 -","- C3 H10 N2 O2 -","- C12 H40 N8 O8 -","4","1","","Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi","Stable carbamate pathway towards organic‒inorganic hybrid perovskites and aromatic imines","RSC Advances","2020","10","62","38055","38062","10.1039/D0RA07814J","","","0.71073","","","0.0243","0.0243","","","0.0588","0.0589","","","","","","1.19","","","","has coordinates","259588","2020-12-06","08:42:38",""
"7241889","12.9111","0.0004","12.1129","0.0004","6.7647","0.0002","90","","90","","90","","1057.94","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H6 Au Cl3 N2 -","- C8 H6 Au Cl3 N2 -","- C32 H24 Au4 Cl12 N8 -","4","1","","Glišić, Biljana Đ.; Warżajtis, Beata; Hoffmann, Marcin; Rychlewska, Urszula; Djuran, Miloš I.","Mononuclear gold(iii) complexes with diazanaphthalenes: the influence of the position of nitrogen atoms in the aromatic rings on the complex crystalline properties","RSC Advances","2020","10","72","44481","44493","10.1039/D0RA08731A","","","0.71073","MoKα","","0.02","0.0172","","","0.0343","0.0353","","","","","","1.058","","","","has coordinates","260010","2020-12-19","06:01:51",""
"7242090","16.4359","0.0013","3.8887","0.0003","45.843","0.004","90","","90","","90","","2930","0.4","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.1558","0.0597","","","0.0845","0.104","","","","","","1.014","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242112","18.5939","0.0008","7.6992","0.0003","14.9541","0.0007","90","","90","","90","","2140.8","0.16","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C88 H80 N16 Ni4 O20 -","4","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0254","0.0226","","","0.0525","0.0536","","","","","","1.03","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242139","13.776","0.007","3.764","0.002","12.796","0.006","90","","90","","90","","663.5","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","potassium 4,6-diamino-2-imino-3-oxido-2,3-dihydro-1,3,5-triazine-1-oxide","","- C3 H5 K N6 O2 -","- C3 H5 K N6 O2 -","- C12 H20 K4 N24 O8 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0911","0.0507","","","0.0764","0.0876","","","","","","0.833","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242180","26.0251","0.0008","22.0693","0.0006","12.5545","0.0004","90","","90","","90","","7210.7","0.4","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H87 N34 O26.5 S6 -","- C21 H87 N34 O26.5 S6 -","- C84 H348 N136 O106 S24 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0642","0.0482","","","0.1309","0.142","","","","","","1.045","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242193","14.522","0.003","12.084","0.003","8.162","0.002","90","","90","","90","","1432.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C60 H24 F16 I4 N4 O4 -","4","1","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.0477","0.0444","","","0.108","0.1111","","","","","","1.087","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242280","7.4965","0.0003","10.9988","0.0004","20.2524","0.0008","90","","90","","90","","1669.86","0.11","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C14 H16 Br Fe Hg N O S2 -","- C14 H16 Br Fe Hg N O S2 -","- C56 H64 Br4 Fe4 Hg4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","0.71073","MoKα","","0.0287","0.0259","","","0.0527","0.0537","","","","","","1.069","","","","has coordinates","263736","2021-04-05","14:36:44",""
"7242342","8.3209","0.0005","46.084","0.005","5.1719","0.0002","90","","90","","90","","1983.2","0.3","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H20 F3 N5 O5 S -","- C18 H20 F3 N5 O5 S -","- C72 H80 F12 N20 O20 S4 -","4","1","","Boles, Jessica E.; Ellaby, Rebecca J.; Shepherd, Helena J.; Hiscock, Jennifer R.","Supramolecular self-associating amphiphiles (SSAs) as enhancers of antimicrobial agents towards Escherichia coli (E. coli)","RSC Advances","2021","11","16","9550","9556","10.1039/D1RA00998B","","x-ray","1.54184","CuKα","","0.1158","0.0787","","","0.1516","0.1732","","","","","","1.038","","","","has coordinates","262458","2021-03-04","05:34:19",""
"7242363","20.608","0.0005","7.2325","0.0002","23.9944","0.0005","90","","90","","90","","3576.3","0.15","295","2","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H22 K2 N12 -","- C38 H22 K2 N12 -","- C152 H88 K8 N48 -","4","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.1611","0.0736","","","0.1604","0.198","","","","","","0.807","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242563","15.6255","0.001","6.0517","0.0004","47.672","0.004","90","","90","","90","","4507.9","0.6","297","2","297","2","","","","","","","","3","P n a 21","P 2c -2n","33","TBOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C232 H192 N32 -","8","2","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","","1.54178","CuKα","","0.0754","0.0637","","","0.173","0.192","","","","","","1.022","","","","has coordinates","264894","2021-05-05","08:28:35",""
"7242668","12.3714","0.0012","18.5178","0.0017","5.6651","0.0005","90","","90","","90","","1297.8","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0928","0.0641","","","0.1804","0.2067","","","","","","1.093","","","","has coordinates","265997","2021-06-05","18:21:38",""
"7242910","11.5549","0.0009","14.9462","0.0011","12.0964","0.0009","90","","90","","90","","2089.1","0.3","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H23 Br2 Cd N5 O -","- C17 H23 Br2 Cd N5 O -","- C68 H92 Br8 Cd4 N20 O4 -","4","1","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.71073","MoKα","","0.045","0.0305","","","0.0717","0.0933","","","","","","1.065","","","","has coordinates","265496","2021-05-26","04:23:17",""
"7242979","13.9801","0.0016","15.5918","0.0017","3.6651","0.0004","90","","90","","90","","798.9","0.15","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4-diamino-3,5,6-trifluorobenzonitrile hydrate","","- C7 H4 F3 N3 O0.5 -","- C7 H4 F3 N3 O0.5 -","- C28 H16 F12 N12 O2 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0608","0.0455","","","0.1384","0.1564","","","","","","1.009","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7243084","11.443","0.003","25.579","0.005","5.1731","0.0009","90","","90","","90","","1514.2","0.6","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C56 H52 N12 O16 S4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.116","0.0693","","","0.1567","0.1811","","","","","","1.0407","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243116","21.53","0.02","10.926","0.01","18.35","0.016","90","","90","","90","","4317","7","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","0.71073","MoKα","","0.1948","0.0717","","","0.1495","0.1953","","","","","","0.979","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243117","21.3258","0.0011","10.8147","0.0003","17.9497","0.0008","90","","90","","90","","4139.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","1.54184","CuKα","","0.0897","0.0741","","","0.1861","0.2034","","","","","","1.056","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243130","17.034","0.0005","11.4043","0.0003","12.6992","0.0003","90","","90","","90","","2466.96","0.11","299","0.2","299","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H22 N3 O7 Zn2 -","- C23 H22 N3 O7 Zn2 -","- C92 H88 N12 O28 Zn8 -","4","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0506","0.0309","","","0.079","0.0944","","","","","","0.852","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243315","12.9213","0.0006","12.3927","0.0006","11.7294","0.0005","90","","90","","90","","1878.23","0.15","100.01","","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 Br2 F8 N2 -","- C18 H8 Br2 F8 N2 -","- C72 H32 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0309","0.0216","","","0.0447","0.0473","","","","","","1.007","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243333","12.6612","0.0011","12.5742","0.0012","12.2189","0.0011","90","","90","","90","","1945.3","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 F8 I2 N2 -","- C18 H8 F8 I2 N2 -","- C72 H32 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0274","0.0265","","","0.065","0.0658","","","","","","1.0488","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243381","20.7074","0.0011","4.9052","0.0002","28.1381","0.0014","90","","90","","90","","2858.1","0.2","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0435","","0.1074","0.0998","0.1074","","","","","","1.1689","","","","has coordinates","269680","2021-10-06","14:52:27",""
"7243382","20.3217","0.00004","4.7007","0.00001","27.4573","0.00003","90","","90","","90","","2622.89","0.008","293","","293","","","","760000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H43 N4 O4 Pt -","- C28 H43 N4 O4 Pt -","- C112 H172 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.08","0.08","","0.1652","0.1652","0.068","","","","","","1.0829","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243383","20.088","0.003","4.6778","0.0003","27.3616","0.0015","90","","90","","90","","2571.1","0.4","293","","293","","","","1430000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0827","0.0827","","0.1235","0.1235","0.1165","","","","","","1.0521","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243384","20.602","0.0017","4.8431","0.0001","27.9031","0.0007","90","","90","","90","","2784.1","0.2","293","","293","","","","140000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0603","","0.0932","0.0932","0.0932","","","","","","1.1217","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243401","8.9585","0.0004","11.3947","0.0005","28.7859","0.0013","90","","90","","90","","2938.4","0.2","100","0.2","100","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H28 N4 O2 -","- C38 H28 N4 O2 -","- C152 H112 N16 O8 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","1.54178","CuKα","","0.1249","0.0871","","","0.2137","0.2411","","","","","","1.017","","","","has coordinates","268148","2021-08-20","01:12:47",""
"7243474","21.0772","0.0007","8.2738","0.0003","13.8978","0.0005","90","","90","","90","","2423.62","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Clotrimazole 2,3-dihydroxybenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,3-dihydroxybenzoate","","- C29 H23 Cl N2 O4 -","- C29 H23 Cl N2 O4 -","- C116 H92 Cl4 N8 O16 -","4","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.0649","0.0507","","","0.1065","0.1188","","","","","","1.076","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243504","10.5361","0.0002","20.5984","0.0004","9.9179","0.0002","90","","90","","90","","2152.45","0.07","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C100 H100 N12 O12 -","4","1","","Thadem, Nagender; Rajesh, Manda; Das, Saibal","Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts","RSC Advances","2021","11","48","29934","29938","10.1039/D1RA05070B","","","0.71073","MoKα","","0.1497","0.0677","","","0.1117","0.1328","","","","","","1.042","","","","has coordinates","269085","2021-09-10","01:21:52",""
"7243570","21.521","0.004","11.299","0.002","6.774","0.0014","90","","90","","90","","1647.2","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Ethyl (1S,2S,6S)-1-acetyl-2-hydroxy-5-oxo-6-(2-oxo-2-phenylethyl)cyclohex-3-ene-1-carboxylate","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho","Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis","RSC Advances","2021","11","50","31395","31399","10.1039/D1RA05305A","","","0.71073","MoKα","","0.0623","0.049","","","0.1051","0.1168","","","","","","1.07","","","","has coordinates","269251","2021-09-23","01:08:06",""
"7243725","31.7745","0.0016","3.8742","0.0002","15.4074","0.001","90","","90","","90","","1896.66","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H8 Br4 O2 -","- C24 H8 Br4 O2 -","- C96 H32 Br16 O8 -","4","1","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54178","CuKα","","0.0805","0.0582","","","0.1448","0.1648","","","","","","1.07","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243771","9.958","0.0004","21.7896","0.001","6.0999","0.0003","90","","90","","90","","1323.56","0.1","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C48 H36 Br8 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0302","0.0259","","","0.0525","0.0541","","","","","","1.086","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243796","20.3659","0.0017","8.7855","0.0009","16.9217","0.0019","90","","90","","90","","3027.7","0.5","106","2","106","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H44 N4 O15 Zn -","- C24 H44 N4 O15 Zn -","- C96 H176 N16 O60 Zn4 -","4","1","","Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G.","A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes","RSC Advances","2021","11","54","34181","34192","10.1039/D1RA05763D","","","0.71073","MoKα","","0.1013","0.0581","","","0.1257","0.1505","","","","","","1.045","","","","has coordinates","270151","2021-10-29","02:29:40",""
"7243874","12.8766","0.0003","6.3085","0.0001","16.9497","0.0004","90","","90","","90","","1376.86","0.05","169.99","0.1","169.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H13 N O4 S3 -","- C10 H13 N O4 S3 -","- C40 H52 N4 O16 S12 -","4","1","","Gong, Kai; Zhou, Yilin; Jiang, Xuefeng","From symmetrical tetrasulfides to trisulfide dioxides via photocatalysis","Green Chemistry","2021","23","24","9865","9869","10.1039/D1GC03242A","","x-ray","1.54184","CuKα","","0.033","0.031","","","0.0688","0.0696","","","","","","1.049","","","","has coordinates","271846","2022-01-06","21:30:02",""
"7243943","7.8","0.5","20.2","0.2","11.5","0.2","90","","90","","90","","1812","12","293","","293","","","","","","","","","2","P n a 21","P 2c -2n","33","","1,3,5-triphenylbenzene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1722","0.1067","","","0.2658","0.3098","","","","","","1.031","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243983","9.144","0.002","14.87","0.003","4.5573","0.001","90","","90","","90","","619.7","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","ETOH1","","- C5 H4 F N3 O2 -","- C5 H4 F N3 O2 -","- C20 H16 F4 N12 O8 -","4","1","","Tiyasakulchai, Thanat; Charoensetakul, Netnapa; Khamkhenshorngphanuch, Thitiphong; Thongpanchang, Chawanee; Srikun, Onsiri; Yuthavong, Yongyuth; Srimongkolpithak, Nitipol","Scalable synthesis of favipiravir via conventional and continuous flow chemistry","RSC Advances","2021","11","61","38691","38693","10.1039/D1RA06963B","","x-ray","1.54178","CuKα","K-L~3~","0.0363","0.0362","","","0.1059","0.106","","","","","","1.496","","","","has coordinates","270973","2021-12-02","02:17:44",""
"7243990","11.8741","0.0005","8.4164","0.0003","12.6736","0.0006","90","","90","","90","","1266.56","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Cl N O4 -","- C8 H24 Cl N O4 -","- C32 H96 Cl4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0366","0.0359","","","0.1005","0.1013","","","","","","1.042","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243993","12.0887","0.0006","8.5504","0.0005","12.7308","0.0007","90","","90","","90","","1315.9","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Br N O4 -","- C8 H24 Br N O4 -","- C32 H96 Br4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0219","0.0198","","","0.0422","0.0429","","","","","","1.023","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7244012","9.5116","0.0014","12.6484","0.0018","6.5253","0.0009","90","","90","","90","","785.04","0.19","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H16 B N -","- C6 H16 B N -","- C24 H64 B4 N4 -","4","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.0338","0.0325","","","0.0899","0.0912","","","","","","1.088","","","","has coordinates","271137","2021-12-06","22:27:49",""
"7244037","21.52","0.05","5.086","0.012","13.68","0.03","90","","90","","90","","1497","6","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Malik, Manzoor Ahmad; Raza, Md Kausar; Mohammed, Arif; Wani, Mohmmad Younus; Al-Bogami, Abdullah Saad; Hashmi, Athar Adil","Unravelling the anticancer potential of a square planar copper complex: toward non-platinum chemotherapy","RSC Advances","2021","11","62","39349","39361","10.1039/D1RA06227A","","","0.71073","MoKα","","0.0336","0.0293","","","0.071","0.0754","","","","","","0.7678","","","","has coordinates","271338","2021-12-11","02:03:58",""
"7244080","22.9722","0.0006","13.0888","0.0003","5.093","0.0001","90","","90","","90","","1531.36","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 Cl2 N O5 -","- C16 H11 Cl2 N O5 -","- C64 H44 Cl8 N4 O20 -","4","1","","Manojkumar, Palnati; Harilal,; Mahipal, Varukolu; Suresh, Gangadhari; Venkatesh, Nampally; Ramesh, Macha; Parthasarathy, Tigulla","Exploring the charge transfer dynamics of hydrogen bonded crystals of 2-methyl-8-quinolinol and chloranilic acid: synthesis, spectrophotometric, single-crystal, DFT/PCM analysis, antimicrobial, and DNA binding studies","RSC Advances","2021","11","63","39994","40010","10.1039/D1RA07658B","","","0.71073","MoKα","","0.0493","0.0408","","","0.1043","0.1128","","","","","","1.007","","","","has coordinates","271490","2021-12-17","02:09:59",""
"7244196","8.2567","0.0005","19.7843","0.0011","8.8668","0.0005","90","","90","","90","","1448.42","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","SS1-246RF1","1-allyl-3-bromo-2-phenyl-1H-indole","","- C17 H14 Br N -","- C17 H14 Br N -","- C68 H56 Br4 N4 -","4","1","","Smile, Suresh Snoxma; Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","DMSO–allyl bromide: a mild and efficient reagent for atom economic one-pot N-allylation and bromination of 2°-aryl amines, 2-aryl aminoamides, indoles and 7-aza indoles","RSC Advances","2022","12","3","1834","1839","10.1039/D1RA08588C","","","0.71073","MoKα","","0.0587","0.0372","","","0.0825","0.0907","","","","","","1.022","","","","has coordinates","272022","2022-01-13","02:01:00",""
"7244283","17.681","0.0012","3.8913","0.0003","18.1986","0.0014","90","","90","","90","","1252.1","0.16","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","3,5-dibromo-resorcylic acid DMF solvate","","- C10 H11 Br2 N O5 -","- C10 H11 Br2 N O5 -","- C40 H44 Br8 N4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0224","0.0212","","","0.0466","0.0468","","","","","","1.093","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244356","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244381","10.1132","0.0013","5.7769","0.0007","20.392","0.003","90","","90","","90","","1191.4","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Liu, Xiao-Dong; Wang, Qiu-An; Zhu, Yan-Ping; Peng, Zhi-Hong; Li, Jin-Heng","Copper-catalyzed aerobic hydroxyamination of alkenes of unsaturated keto oximes in EtOH toward cyclic nitrones","Green Chemistry","2022","24","6","2476","2482","10.1039/D2GC00017B","","","0.71073","MoKα","","0.0321","0.0284","","","0.0738","0.0772","","","","","","1.04","","","","has coordinates","274989","2022-05-05","20:37:24",""
"7244464","13.7218","0.0016","18.26","0.002","3.958","0.0007","90","","90","","90","","991.7","0.2","297","0.1","297","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","1","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0894","0.0704","","","0.1981","0.2219","","","","","","1.122","","","","has coordinates","273077","2022-02-22","02:10:18",""
"7244667","20.333","0.004","6.4811","0.0013","35.365","0.007","90","","90","","90","","4660.4","1.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C224 H192 O40 -","8","2","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","","0.71073","MoKα","","0.0738","0.0592","","","0.1427","0.1542","","","","","","1.119","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244691","8.9856","0.0004","15.2222","0.0006","16.9653","0.0007","90","","90","","90","","2320.52","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Apalutamide-Acetonitrile-1:1","","","- C23 H18 F4 N6 O2 S -","- C23 H18 F4 N6 O2 S -","- C92 H72 F16 N24 O8 S4 -","4","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0294","0.0269","","","0.0695","0.0707","","","","","","1.051","","","","has coordinates","274178","2022-03-31","22:33:19",""
"7244749","24.355","0.002","6.4076","0.0007","13.2555","0.0016","90","","90","","90","","2068.6","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H25 N O3 -","- C27 H25 N O3 -","- C108 H100 N4 O12 -","4","1","","Dong, Pei-Zhen; Qiu, Bin; An, Xiao-De; Xiao, Jian","Cascade dearomative [4 + 2] cycloaddition of indoles with in situ generated ortho-quinone methides: practical access to divergent indoline-fused polycycles","Green Chemistry","2022","24","9","3772","3777","10.1039/D2GC00387B","","","1.54184","CuKα","","0.1635","0.0842","","","0.1873","0.2664","","","","","","0.994","","","","has coordinates","275785","2022-06-06","01:47:37",""
"7244972","24.3625","0.0002","3.7781","0.0001","8.4798","0.0001","90","","90","","90","","780.51","0.02","150","0","150","0","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Hawkins, Bryson A.; Du, Jonathan J.; Lai, Felcia; Stanton, Stephen A.; Williams, Peter A.; Groundwater, Paul W.; Platts, James A.; Overgaard, Jacob; Hibbs, David E.","An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization","RSC Advances","2022","12","25","15670","15684","10.1039/D1RA08389A","","","0.71073","MoKα","","0.053","0.0491","","","0.126","0.1283","","","","","","1.298","","","","has coordinates","275622","2022-05-24","01:11:25",""
"7245008","16.5185","0.0006","9.3246","0.0003","12.658","0.0005","90","","90","","90","","1949.69","0.12","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0355","0.0317","","","0.081","0.0838","","","","","","1.038","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245065","17.9139","0.0002","14.6001","0.0004","6.6911","0.0007","90","","90","","90","","1750.02","0.19","210","2","210","","","","","","","","","3","P n a 21","P 2c -2n","33","","3-(3-allyl-4-methoxyphenyl)-7-(methoxymethoxy)-4H-chromen-4-one","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.0584","0.0427","","","0.1062","0.1137","","","","","","1.039","","","","has coordinates","276008","2022-06-13","22:37:11",""
"7245076","18.347","0.004","16.232","0.003","7.4296","0.0014","90","","90","","90","","2212.6","0.8","220","","220","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H28 Cl N3 O -","- C25 H28 Cl N3 O -","- C100 H112 Cl4 N12 O4 -","4","1","","Ma, Ling; Chen, Xiaofei; Zhu, Siyu; Chen, Wei; Ma, Qin; Fan, Wenxi; Zhang, Jie; Guo, Liang","New β-carboline containing imidazolium derivatives as potential VEGFR2 inhibitors: synthesis, X-ray structure, anti-proliferative evaluations, and molecular modeling","RSC Medicinal Chemistry","2022","","","","","10.1039/D2MD00065B","","","0.71073","MoKα","","0.0767","0.052","","","0.1241","0.1398","","","","","","1.013","","","","has coordinates","276062","2022-06-16","00:02:20",""
"7245114","11.1964","0.0002","16.847","0.0004","19.1707","0.0004","90","","90","","90","","3616.09","0.13","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H46 K N4 O24 S3 -","- C20 H20 K N4 O24 S3 -","- C80 H80 K4 N16 O96 S12 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0871","0.0722","","","0.2073","0.2239","","","","","","1.048","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245318","31.2707","0.0011","9.2527","0.0004","10.954","0.0004","90","","90","","90","","3169.4","0.2","297","1","297","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 S12 -","- C24 H28 S12 -","- C96 H112 S48 -","4","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0568","0.0441","","","0.1032","0.1136","","","","","","1.027","","","","has coordinates","277262","2022-08-16","22:28:27",""
"7245346","14.1838","0.001","9.9322","0.0006","9.6159","0.0006","90","","90","","90","","1354.65","0.15","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","[MDABCO]RbBr3","","- C7 H16 Br3 N2 Rb -","- C7 H16 Br3 N2 Rb -","- C28 H64 Br12 N8 Rb4 -","4","1","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0788","0.0817","","","","","","1.056","","","","has coordinates","277292","2022-08-17","22:39:50",""
"7245436","7.5251","0.0003","14.0673","0.0006","20.2503","0.0007","90","","90","","90","","2143.65","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 Cu N5 O7 -","- C18 H21 Cu N5 O7 -","- C72 H84 Cu4 N20 O28 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0556","0.0416","","","0.0915","0.1","","","","","","0.995","","","","has coordinates","277614","2022-09-03","22:34:40",""
"7245632","9.1611","0.0017","28.828","0.006","5.3391","0.0012","90","","90","","90","","1410","0.5","273.15","","273.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Ye, Min; Xu, Fan; Bai, Yun; Zhang, Fanglian; Wang, Wenjia; Qian, Yiping; Chen, Zhengwang","Base-promoted highly efficient synthesis of nitrile-substituted cyclopropanes via Michael-initiated ring closure","RSC Advances","2022","12","44","28576","28579","10.1039/D2RA05393D","","","0.71073","MoKα","","0.1316","0.1207","","","0.3122","0.3193","","","","","","1.0359","","","","has coordinates","278466","2022-10-07","01:15:02",""
"7245667","17.6657","0.0003","11.3205","0.0002","8.8645","0.0002","90","","90","","90","","1772.76","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H27 N13 O5 Zn2 -","- C27 H27 N13 O5 Zn2 -","- C54 H54 N26 O10 Zn4 -","2","0.5","","Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng","Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture","CrystEngComm","2022","","","","","10.1039/D2CE01092E","","x-ray","1.54184","CuKα","","0.0604","0.0586","","","0.1669","0.1713","","","","","","1.101","","","","has coordinates,has disorder","278554","2022-10-12","22:40:32",""
"7245668","18.0312","0.0005","11.2975","0.0005","8.668","0.0003","90","","90","","90","","1765.74","0.11","170","0.1","170","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H18 N8 O3 Zn -","- C15 H18 N8 O3 Zn -","- C60 H72 N32 O12 Zn4 -","4","1","","Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng","Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture","CrystEngComm","2022","","","","","10.1039/D2CE01092E","","x-ray","1.54184","CuKα","","0.0393","0.0381","","","0.111","0.1132","","","","","","1.121","","","","has coordinates","278554","2022-10-12","22:40:33",""
"7245752","9.589","0.002","12.661","0.003","11.779","0.003","90","","90","","90","","1430","0.6","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Fmoc-b-cyclopropyl-(S)-Ala-OH","(2S)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C52 H84 N4 O20 -","4","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","0.71073","MoKα","","0.0586","0.0533","","","0.1336","0.1381","","","","","","1.013","","","","has coordinates","278944","2022-11-04","23:34:25",""
"7245773","26.47","0.003","7.695","0.0007","5.4985","0.0005","90","","90","","90","","1119.97","0.19","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ca2 Nb2 O7 -","- Ca2 Nb2 O7 -","- Ca16 Nb16 O56 -","8","2","","Xie, Linfang; Hou, Shuai; Yu, Fapeng; Zhao, Xian","Single crystal growth and piezoelectric features of the Ca2Nb2O7 crystal with orthorhombic symmetry","CrystEngComm","2022","","","","","10.1039/D2CE01286C","","","0.71069","MoKα","","0.0268","0.0208","","","0.0489","0.0525","","","","","","1.023","","","","has coordinates","279122","2022-11-08","23:37:05",""
"7245873","13.7533","0.0017","20.0569","0.001","7.505","0.002","90","","90","","90","","2070.2","0.6","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H24 Mo N3 O5 -","- C20 H24 Mo N3 O5 -","- C80 H96 Mo4 N12 O20 -","4","1","","Chatterjee, Sudeshna; Ta, Sabyasachi; Khanra, Somnath; Das, Debasis","Mo(vi) complexes of amide–imine conjugates for tuning the selectivity of fluorescence recognition of Y(iii) vs. Pb(ii)","RSC Advances","2022","12","51","33293","33303","10.1039/D2RA06035C","","","0.71073","MoKα","","0.1107","0.0843","","","0.2843","0.2984","","","","","","1.28","","","","has coordinates","279454","2022-11-22","02:15:10",""
"7245954","17.8848","0.0014","6.9574","0.0004","23.625","0.0017","90","","90","","90","","2939.7","0.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H23.23 N3 S2 -","- C11 H23.2315 N3 S2 -","- C88 H185.852 N24 S16 -","8","2","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.078","0.0589","","","0.1132","0.1276","","","","","","1.097","","","","has coordinates,has disorder","281436","2023-03-04","18:15:58",""
"7245973","11.7823","0.0009","17.2564","0.0012","8.5563","0.0005","90","","90","","90","","1739.7","0.2","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H13 N O2 S -","- C22 H13 N O2 S -","- C88 H52 N4 O8 S4 -","4","1","","Chen, Shiliu; Yan, Qinqin; Fan, Jie; Guo, Changyou; Li, Lijun; Liu, Zhong-Quan; Li, Zejiang","Photo-induced spirocyclization of biaryl ynones with ammonium thiocyanate: access to thiocyanate-featured spiro[5,5]trienones","Green Chemistry","2023","25","1","153","160","10.1039/D2GC03710F","","","0.71073","MoKα","","0.0415","0.0339","","","0.0732","0.0788","","","","","","1.049","","","","has coordinates","281472","2023-03-04","18:24:06",""
"7246100","8.278","0.003","13.527","0.004","12.503","0.004","90","","90","","90","","1400","0.8","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.0582","0.032","","","0.0541","0.0605","","","","","","1.027","","","","has coordinates","281448","2023-03-04","18:18:20",""
"7246151","10.422","0.003","17.54","0.006","10.109","0.003","90","","90","","90","","1847.9","1","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","tris(4-azidophenyl)methanol","","- C19 H13 N9 O -","- C19 H13 N9 O -","- C76 H52 N36 O4 -","4","1","","Qiu, Xujun; Brückel, Julian; Zippel, Christoph; Nieger, Martin; Biedermann, Frank; Bräse, Stefan","Tris(4-azidophenyl)methanol – a novel and multifunctional thiol protecting group","RSC Advances","2023","13","4","2483","2486","10.1039/D2RA05997E","","","0.71073","MoKα","","0.0463","0.0378","","","0.0918","0.0984","","","","","","1.029","","","","has coordinates","280414","2023-01-18","04:08:48",""
"7246177","10.242","0.012","15.493","0.018","11.726","0.013","90","","90","","90","","1861","4","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.","A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones","RSC Advances","2023","13","5","3020","3032","10.1039/D2RA07714K","","","0.71073","MoKα","","0.4657","0.1139","","","0.1944","0.3236","","","","","","0.915","","","","has coordinates","280455","2023-01-20","02:06:15",""
"7246293","10.0111","0.001","11.7592","0.0012","13.097","0.0015","90","","90","","90","","1541.8","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Reddy, Yeruva Pavankumar; Srinivasadesikan, V.; Balamurugan, Rengarajan; Lin, M. C.; Anwar, Shaik","Synthesis of tetrahydrochromenes and dihydronaphthofurans via a cascade process of [3 + 3] and [3 + 2] annulation reactions: mechanistic insight for 6-endo-trig and 5-exo-trig cyclisation","RSC Advances","2023","13","9","5796","5803","10.1039/D2RA08163F","","","0.71073","MoKα","","0.0418","0.0365","","","0.0947","0.0985","","","","","","1.039","","","","has coordinates","281042","2023-02-20","13:31:32",""
"7246323","13.296","0.002","18.408","0.004","3.7815","0.0011","90","","90","","90","","925.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.141","0.0724","","","0.1198","0.1597","","","","","","1.057","","","","has coordinates","282322","2023-04-04","10:11:06",""
"7246386","31.4723","0.0003","8.4394","0.0005","5.347","0.002","90","","90","","90","","1420.2","0.5","294","2","294.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 F2 O2 S -","- C16 H12 F2 O2 S -","- C64 H48 F8 O8 S4 -","4","1","","Suresh, Rajaghatta N.; Swaroop, Toreshettahally R.; Gowda, Darshini; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","A panoramic view on synthetic applications of α-oxothioamides: a highly regioselective synthesis of 2-acyl-4-(het)arylthiazoles and thioethers.","RSC advances","2023","13","8","4910","4916","10.1039/d2ra08118k","","","0.71073","MoKα","","0.0842","0.0483","","","0.1192","0.134","","","","","","1.029","","","","has coordinates","281302","2023-03-04","16:24:45",""
"7246504","6.5339","0.0003","7.1569","0.0003","37.6943","0.0015","90","","90","","90","","1762.68","0.13","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.0547","0.0428","","","0.1051","0.1168","","","","","","1.083","","","","has coordinates","283212","2023-05-05","01:26:01",""
"7246505","6.5274","0.0003","7.2009","0.0003","37.7553","0.0016","90","","90","","90","","1774.62","0.13","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0281","0.0278","","","0.078","0.0783","","","","","","1.064","","","","has coordinates","283212","2023-05-05","01:26:03",""
"7246569","11.1802","0.0006","9.6493","0.0006","15.1332","0.0008","90","","90","","90","","1632.59","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 N3 P S -","- C12 H30 N3 P S -","- C48 H120 N12 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0404","0.0362","","","0.0883","0.0912","","","","","","1.056","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246571","9.4456","0.0002","12.1063","0.0002","14.6424","0.0003","90","","90","","90","","1674.38","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N6 P S -","- C15 H15 N6 P S -","- C60 H60 N24 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0254","0.0246","","","0.0628","0.0636","","","","","","1.052","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246615","8.2815","0.0003","16.5697","0.0001","4.7742","0.0003","90","","90","","90","","655.13","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H5 N7 O2 -","- C3 H5 N7 O2 -","- C12 H20 N28 O8 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.1267","0.0624","","","0.1222","0.1519","","","","","","1.052","","","","has coordinates","284276","2023-06-05","04:28:46",""
"7246687","7.1452","0.0004","13.566","0.0008","7.7555","0.0005","90","","90","","90","","751.75","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine","","- C6 H4 F3 N3 O2 -","- C6 H4 F3 N3 O2 -","- C24 H16 F12 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0421","0.033","","","0.096","0.1053","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246914","12.014","0.002","13.556","0.002","12.259","0.002","90","","90","","90","","1996.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N6 O6 P2 -","- C15 H22 N6 O6 P2 -","- C60 H88 N24 O24 P8 -","4","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.029","0.0284","","","0.0751","0.0755","","","","","","1.046","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246950","12.4459","0.0002","27.609","0.0004","4.7734","0.0001","90","","90","","90","","1640.23","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H16 F N O -","- C23 H16 F N O -","- C92 H64 F4 N4 O4 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0313","0.0299","","","0.0786","0.0794","","","","","","1.065","","","","has coordinates","286149","2023-09-05","19:58:36",""
"7247200","8.3198","0.0002","9.8246","0.0002","14.0426","0.0003","90","","90","","90","","1147.82","0.04","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","OIS-S-2021-152","","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","","Seo, Ye Ji; Kim, Eunsil; Oh, In Seok; Hyun, Ji Young; Song, Ji Ho; Lim, Hwan Jung; Park, Seong Jun","Intramolecular cyclization of N-cyano sulfoximines by N–CN bond activation","RSC Advances","2023","13","35","24445","24449","10.1039/D3RA04208A","","","0.71073","MoKα","","0.0293","0.0287","","","0.0777","0.078","","","","","","1.034","","","","has coordinates","285654","2023-08-15","01:09:07",""
"7247267","12.7466","0.001","17.0131","0.0012","6.1821","0.0004","90","","90","","90","","1340.65","0.17","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 -","- C14 H20 N6 -","- C56 H80 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0831","0.0649","","","0.1183","0.125","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247313","21.402","0.005","7.777","0.0017","23.478","0.005","90","","90","","90","","3907.8","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H30 Co F6 N4 O9 -","- C41 H30 Co F6 N4 O9 -","- C164 H120 Co4 F24 N16 O36 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0993","0.0672","","","0.1627","0.1807","","","","","","1.05","","","","has coordinates","287340","2023-11-06","07:26:34",""
"7247378","8.6941","0.0004","17.9069","0.001","10.1924","0.0005","90","","90","","90","","1586.8","0.14","299","","299","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.","Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones","Green Chemistry","2024","26","2","771","784","10.1039/D3GC02975A","","x-ray","0.71073","MoKα","","0.0566","0.0434","","","0.0984","0.1091","","","","","","1.04","","","","has coordinates","289571","2024-02-04","12:17:27",""
"7247515","16.899","0.003","5.502","0.0011","41.337","0.008","90","","90","","90","","3843.4","1.3","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C54 H33 Cl N2 -","- C54 H33.011 Cl0.989 N2 -","- C216 H132.044 Cl3.956 N8 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0521","0.0419","","","0.1112","0.1166","","","","","","1.023","","","","has coordinates,has disorder","288804","2024-01-06","08:03:44",""
"7247547","8.9458","0.0003","10.0166","0.0004","25.8341","0.0009","90","","90","","90","","2314.9","0.15","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1,1-dimethyl-6-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0788","0.0521","","","0.1043","0.1165","","","","","","0.998","","","","has coordinates","288806","2024-01-06","08:05:17",""
"7247664","34.2851","0.0019","9.7131","0.0005","8.4881","0.0004","90","","90","","90","","2826.7","0.3","125","","125","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H36 Mo4 O20 -","- C16 H36 Mo4 O20 -","- C64 H144 Mo16 O80 -","4","1","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0682","0.0655","","","0.1327","0.1339","","","","","","1.084","","","","has coordinates,has disorder","287242","2023-11-02","02:30:45",""
"7247735","14.2846","0.0002","9.9978","0.0001","6.3863","0.0001","90","","90","","90","","912.06","0.02","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C32 H12 N20 O16 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0623","0.0625","","","","","","1.075","","","","has coordinates","288796","2024-01-06","08:00:03",""
"7247737","14.40027","0.00012","10.46252","0.00009","6.13809","0.00005","90","","90","","90","","924.784","0.013","99.98","0.15","99.98","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O5 -","- C8 H3 N5 O5 -","- C32 H12 N20 O20 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.031","0.0308","","","0.083","0.0831","","","","","","1.077","","","","has coordinates","288796","2024-01-06","08:00:17",""
"7247910","11.9478","0.0013","11.6849","0.0013","19.94","0.02","90","","90","","90","","2784","3","298","","298","","570000","","570000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1403","0.1108","","","0.312","0.3642","","","","","","1.547","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247914","12.179","0.0017","11.8019","0.0017","20.61","0.03","90","","90","","90","","2962","4","298","","298","","220000","","220000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1709","0.116","","","0.3033","0.3662","","","","","","1.358","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247915","12.182","0.0004","11.79","0.0004","20.8728","0.0008","90","","90","","90","","2997.87","0.18","298","","298","","101.325","","101.325","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.0561","0.0407","","","0.0946","0.1022","","","","","","1.046","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247933","23.7161","0.0016","7.198","0.0007","20.5953","0.0018","90","","90","","90","","3515.8","0.5","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 F18 K8 N10 O12 -","- C12 F18 K8 N10 O12 -","- C48 F72 K32 N40 O48 -","4","1","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.1244","0.0728","","","0.1817","0.2271","","","","","","1.023","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7248029","20.3125","0.0009","10.3043","0.0005","17.1562","0.0008","90","","90","","90","","3590.9","0.3","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H39 Cu I P3 -","- C41 H39 Cu I P3 -","- C164 H156 Cu4 I4 P12 -","4","1","","Lamahewage, Sujeewa N. S.; Atterberry, Benjamin A.; Dorn, Rick W.; Gi, Eunbyeol; Kimball, Maxwell R.; Blümel, Janet; Vela, Javier; Rossini, Aaron J.","Accelerated acquisition of wideline solid-state NMR spectra of spin 3/2 nuclei by frequency-stepped indirect detection experiments.","Physical chemistry chemical physics : PCCP","2024","26","6","5081","5096","10.1039/d3cp05055f","","","1.54178","CuKα","","0.0237","0.0223","","","0.0566","0.0573","","","","","","1.039","","","","has coordinates","290280","2024-03-04","20:45:30",""
"7248034","9.6066","0.0006","19.859","0.0014","4.6599","0.0002","90","","90","","90","","889","0.09","173","2","173.1","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H8 Cl N7 O2 -","- C4 H8 Cl N7 O2 -","- C16 H32 Cl4 N28 O8 -","4","1","","Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing","A desirable coplanar energetic pentazolate salt driven by hydrogen bonds","CrystEngComm","2024","26","6","748","752","10.1039/D3CE01234D","","","0.71073","MoKα","","0.0399","0.0316","","","0.0612","0.0638","","","","","","1.075","","","","has coordinates","290143","2024-03-04","20:07:21",""
"7248096","14.5892","0.0009","21.9646","0.0015","26.1741","0.0017","90","","90","","90","","8387.4","0.9","296.15","","296.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H55 Co3 N6 O57 W12 -","- C54 H44 Co3 N6 O52 W12 -","- C216 H176 Co12 N24 O208 W48 -","4","1","","Wang, Xiuli; Yang, Lin; Zhang, Zhong","Structure-induced selective adsorption of diverse dyes and Cr(vi) photoreduction using two new polyoxometalate-based metal–viologen complexes","CrystEngComm","2024","26","10","1363","1370","10.1039/D3CE01227A","","x-ray","0.71073","MoKα","K-L~3~","0.1123","0.0616","","","0.1243","0.1468","","","","","","1.014","","","","has coordinates,has disorder","290878","2024-04-04","23:03:43",""
"7248220","15.2287","0.0015","23.0298","0.0018","5.8087","0.0004","90","","90","","90","","2037.2","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17.5 H38.5 N2 O5.25 -","- C15 H31 N2 O4 -","- C60 H124 N8 O16 -","4","1","","Dobre, Ana; Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Kay, Christopher W. M.; Palumbo, Oriele; Roessler, Maxie M.; Welton, Tom","Understanding the effects of targeted modifications on the 1 : 2 Choline And GEranate structure.","Physical chemistry chemical physics : PCCP","2024","26","11","8858","8872","10.1039/d3cp05271k","","","0.71073","MoKα","","0.0876","0.0502","","","0.0944","0.1067","","","","","","0.956","","","","has coordinates","291068","2024-04-05","00:17:31",""
"7248396","16.4142","0.0003","16.5691","0.0004","15.1392","0.0004","90","","90","","90","","4117.39","0.17","170","2","170","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Co N8 O S4 -","- C12 H16 Co N8 O S4 -","- C96 H128 Co8 N64 O8 S32 -","8","2","","Hannachi, Anissa; El Bakri, Youness; Saravanan, Kandasamy; Gómez-García, Carlos J.; Abuelizz, Hatem A.; Al-Salahi, Rashad; Smirani, Wajda","Metamagnetism and canted antiferromagnetic ordering in two monomeric CoII complexes with 1-(2-pyrimidyl)piperazine. Hirshfeld surface analysis and theoretical studies","RSC Advances","2024","14","16","11557","11569","10.1039/D4RA00716F","","","0.71073","MoKα","","0.0796","0.0493","","","0.0778","0.0859","","","","","","1.03","","","","has coordinates","291174","2024-04-11","01:25:10",""
"7248587","17.3234","0.0014","6.5197","0.0005","8.7737","0.0007","90","","90","","90","","990.93","0.14","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(5-methylthiazol-2-yl)piperidine-2,6-dione","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Shaiwale, Mayuri; Narayan, Som; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N -(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","","","","","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0535","0.0445","","","0.0853","0.0897","","","","","","1.0658","","","","has coordinates","291742","2024-05-06","22:42:36",""
"7700011","23.684","0.003","12.5765","0.0017","17.783","0.003","90","","90","","90","","5296.9","1.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H77 Ga N6 P2 S2 -","- C51 H77 Ga N6 P2 S2 -","- C204 H308 Ga4 N24 P8 S8 -","4","1","","Koner, Abhishek; Gabidullin, Bulat M.; Kelemen, Zsolt; Nyulászi, László; Nikonov, Georgii I.; Streubel, Rainer","7-Metalla-1,4-diphosphanorbornadienes: cycloaddition of monovalent group 13 NacNac complexes to a stable 1,4-diphosphinine.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8248","8253","10.1039/c9dt01425j","","","0.71073","MoKα","","0.0655","0.0432","","","0.0981","0.1077","","","","","","1.029","","","","has coordinates,has disorder","224434","2020-10-21","18:00:00",""
"7700017","24.0988","0.0009","8.701","0.0003","11.4918","0.0005","90","","90","","90","","2409.64","0.16","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H28 Al N S2 -","- C27 H28 Al N S2 -","- C108 H112 Al4 N4 S8 -","4","1","","Chen, Yilin; Jiang, Wenjun; Li, Bin; Fu, Gang; Chen, Shimin; Zhu, Hongping","Reaction of an N/Al FLP-based aluminum hydride toward alkynes: deprotonated alumination versus hydroalumination with regioselective cis-addition character.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9152","9160","10.1039/c9dt00903e","","","0.71073","MoKα","","0.0548","0.0457","","","0.1027","0.1081","","","","","","1.036","","","","has coordinates,has disorder","224208","2020-10-21","18:00:00",""
"7700175","17.416","0.004","8.439","0.0017","40.806","0.008","90","","90","","90","","5997","2","200","","200","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N6 P -","- C22 H19 N6 P -","- C264 H228 N72 P12 -","12","3","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0656","0.058","","","0.1491","0.1631","","","","","","1.056","","","","has coordinates","223900","2020-10-21","18:00:00",""
"7700193","18.7715","0.0005","13.3743","0.0003","15.266","0.0003","90","","90","","90","","3832.62","0.15","150","0.1","150","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H28 Cu3 N12 O6 -","- C42 H28 Cu3 N12 O6 -","- C168 H112 Cu12 N48 O24 -","4","1","","Simões, Tatiana R G; Marinho, Maria Vanda; Pasán, Jorge; Stumpf, Humberto O.; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","On the magneto-structural role of the coordinating anion in oxamato-bridged copper(ii) derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10260","10274","10.1039/c9dt01277j","","x-ray","0.71073","MoKα","","0.0436","0.0369","","","0.087","0.0906","","","","","","1.027","","","","has coordinates","223878","2020-10-21","18:00:00",""
"7700216","24.755","0.003","19.36","0.003","8.5498","0.0012","90","","90","","90","","4097.5","1","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C40 H53 B N6 O2 P Se Y -","- C36 H45 B N6 O P Se Y -","- C144 H180 B4 N24 O4 P4 Se4 Y4 -","4","1","","Zhang, Fangjun; Yi, Weiyin; Zhang, Jie; You, Qing; Weng, Linhong; Zhou, Xigeng","Oxidation and chalcogenylative disproportionation of anionic phosphide ligands in yttrium complexes with elemental sulfur and selenium.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10596","10603","10.1039/c9dt01537j","","","0.71073","MoKα","","0.1045","0.0662","","","0.1581","0.1868","","","","","","0.88","","","","has coordinates,has disorder","223771","2020-10-21","18:00:00",""
"7700476","9.2404","0.0003","30.656","0.0011","11.7644","0.0005","90","","90","","90","","3332.5","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H36 N4 P2 Ru -","- C39 H36 N4 P2 Ru -","- C156 H144 N16 P8 Ru4 -","4","1","","Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming","Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11732","11742","10.1039/c9dt02363a","","","0.71073","MoKα","","0.0383","0.0298","","","0.0584","0.0636","","","","","","1.052","","","","has coordinates","224368","2020-10-21","18:00:00",""
"7700596","20.919","0.0004","8.7864","0.0001","15.0358","0.0002","90","","90","","90","","2763.62","0.07","180","2","180","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H35 Cl2 N2 O2 P Ru S2 -","- C22 H35 Cl2 N2 O2 P Ru S2 -","- C88 H140 Cl8 N8 O8 P4 Ru4 S8 -","4","1","","Kandel, Ramjee; Schatte, Gabriele; Jessop, Philip G.","Rh(i) and Ru(ii) phosphaamidine and phosphaguanidine (1,3-P,N) complexes and their activity for CO<sub>2</sub> hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12512","12521","10.1039/c9dt00602h","","","0.71073","MoKα","","0.0325","0.0265","","","0.052","0.0544","","","","","","1.016","","","","has coordinates","223981","2020-10-21","18:00:00",""
"7700613","9.7594","0.0004","11.4338","0.0003","13.2116","0.0005","90","","90","","90","","1474.24","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 Cu N2 O2 -","- C18 H14 Cu N2 O2 -","- C72 H56 Cu4 N8 O8 -","4","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0653","0.048","","","0.0966","0.1031","","","","","","1.055","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700669","18.7163","0.0003","17.1816","0.0003","9.89979","0.00015","90","","90","","90","","3183.53","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H33 B10 N -","- C34 H33 B10 N -","- C136 H132 B40 N4 -","4","1","","Jiang, Peng; Wang, Zhaojin; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Wang, Genmiao; Quintana, Cristóbal; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Syntheses and quadratic nonlinear optical properties of 2,7-fluorenylene- and 1,4-phenylene-functionalized o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12549","12559","10.1039/c9dt02645b","","x-ray","0.71073","MoKα","","0.0558","0.0429","","","0.091","0.0989","","","","","","1.062","","","","has coordinates","223975","2020-10-21","18:00:00",""
"7700740","23.3543","0.0015","11.0536","0.0006","7.7194","0.0004","90","","90","","90","","1992.8","0.2","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H12 Cl2 Cu N4 S2 -","- C20 H12 Cl2 Cu N4 S2 -","- C80 H48 Cl8 Cu4 N16 S8 -","4","1","","Choroba, Katarzyna; Machura, Barbara; Kula, Slawomir; Raposo, Luis R.; Fernandes, Alexandra R.; Kruszynski, Rafal; Erfurt, Karol; Shul'pina, Lidia S.; Kozlov, Yuriy N.; Shul'pin, Georgiy B.","Copper(ii) complexes with 2,2':6',2''-terpyridine, 2,6-di(thiazol-2-yl)pyridine and 2,6-di(pyrazin-2-yl)pyridine substituted with quinolines. Synthesis, structure, antiproliferative activity, and catalytic activity in the oxidation of alkanes and alcohols with peroxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12656","12673","10.1039/c9dt01922g","","","0.71073","MoKα","","0.0338","0.0284","","","0.0609","0.064","","","","","","1.046","","","","has coordinates","223985","2020-10-21","18:00:00",""
"7700982","12.8109","0.0004","18.5996","0.0006","8.9913","0.0003","90","","90","","90","","2142.43","0.12","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H28 B2 Co F8 N5 O -","- C12 H28 B2 Co F8 N5 O -","- C48 H112 B8 Co4 F32 N20 O4 -","4","1","","Puthiyaveetil Yoosaf, Mohammed Ajmal; Ghosh, Somnath; Narayan, Yatheesh; Yadav, Munendra; Sahoo, Subash Chandra; Kumar, Pankaj","Finding a new pathway for acid-induced nitrite reduction reaction: formation of nitric oxide with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13916","13920","10.1039/c9dt02834j","","","0.71073","MoKα","","0.0707","0.0487","","","0.126","0.1429","","","","","","1.049","","","","has coordinates,has disorder","223847","2020-10-21","18:00:00",""
"7700999","41.9535","0.0013","12.6307","0.0002","22.2985","0.0005","90","","90","","90","","11816","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H114 Ge2 Mo24 N6 O98 -","- C24 Ge2 Mo24 N6 O90.6 -","- C96 Ge8 Mo96 N24 O362.4 -","4","1","","Wang, Yuchao; Li, Fengyan; Jiang, Ning; Liu, Xizheng; Xu, Lin","A ""directed precursor self-assembly"" strategy for the facile synthesis of heteropoly blues: crystal structures, formation mechanism and electron distribution.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14347","14353","10.1039/c9dt02789k","","","0.71073","MoKα","","0.0735","0.059","","","0.1407","0.1498","","","","","","1.07","","","","has coordinates,has disorder","224556","2020-10-21","18:00:00",""
"7701131","8.707","0.01","9.473","0.003","36.37","0.03","90","","90","","90","","3000","4","121","1","121","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H16 Fe O -","- C21 H16 Fe O -","- C168 H128 Fe8 O8 -","8","2","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","1.54184","CuKα","","0.0894","0.072","","","0.1836","0.1957","","","","","","1.043","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701134","12.155","0.0004","12.9938","0.0003","13.7119","0.0004","90","","90","","90","","2165.65","0.11","129.95","0.1","129.95","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H24 Fe2 -","- C30 H24 Fe2 -","- C120 H96 Fe8 -","4","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.0385","0.0319","","","0.0689","0.0715","","","","","","1.02","","","","has coordinates,has disorder","224567","2020-10-21","18:00:00",""
"7701167","30.694","0.0017","13.081","0.0007","8.9136","0.0005","90","","90","","90","","3578.9","0.3","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C36 H21 Cl3 F10 Ir N4 O P -","- C36 H21 Cl3 F10 Ir N4 O P -","- C144 H84 Cl12 F40 Ir4 N16 O4 P4 -","4","1","","Rui, Kai; Wang, Zhong-Ye; Yuan, Qin-Zhen; Cao, Deng-Ke","Solvent-driven luminescence modulation/switching in an iridium(iii) complex containing an aldehyde group.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15114","15120","10.1039/c9dt03239h","","","0.71073","MoKα","","0.0347","0.03","","","0.0814","0.0873","","","","","","1.014","","","","has coordinates","224258","2020-10-21","18:00:00",""
"7701210","18.316","0.004","10.599","0.002","14.313","0.003","90","","90","","90","","2778.6","1","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H45 Fe N2 P Si4 -","- C15 H45 Fe N2 P Si4 -","- C60 H180 Fe4 N8 P4 Si16 -","4","1","","Bodenstein, Tilmann; Eichhöfer, Andreas","Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub>L]-experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15699","15712","10.1039/c9dt01702j","","","0.71073","MoKα","","0.0746","0.0393","","","0.0811","0.0913","","","","","","0.913","","","","has coordinates,has disorder","223884","2020-10-21","18:00:00",""
"7701493","14.9084","0.0004","20.8427","0.0007","19.5727","0.0005","90","","90","","90","","6081.9","0.3","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H62 Br18 In4 N6 O -","- C24 H62 Br18 In4 N6 O -","- C96 H248 Br72 In16 N24 O4 -","4","1","","Xin, Wen-Bo; Xu, Guan-Cheng; Li, Min","Synthesis and Characterization of a New Organic-inorganic Hybrid Ferroelectric: (C4H10N)6[InBr6][InBr4]3•H2O","Dalton Transactions","2019","","","","","10.1039/C9DT03970H","","x-ray","1.54184","CuKα","","0.0881","0.081","","","0.2069","0.2131","","","","","","1.113","","","","has coordinates","223278","2020-10-21","18:00:00",""
"7701560","24.5947","0.0018","15.6607","0.0011","16.3428","0.0012","90","","90","","90","","6294.8","0.8","293","","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H46 Co2 N6 O14 -","- C56 H46 Co2 N6 O14 -","- C224 H184 Co8 N24 O56 -","4","1","","Gharib, Maniya; Esrafili, Leili; Morsali, Ali; Retailleau, Pascal","Solvent-assisted ligand exchange (SALE) for the enhancement of epoxide ring-opening reaction catalysis based on three amide-functionalized metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8803","8814","10.1039/c9dt00941h","","","0.71075","MoKα","","0.102","0.0552","","","0.1193","0.1407","","","","","","1.008","","","","has coordinates,has disorder","223300","2020-10-21","18:00:00",""
"7701934","8.2435","0.0006","36.287","0.004","4.0103","0.0004","90","","90","","90","","1199.6","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H8 Cl O S2 Tl -","- C10 H8 Cl O S2 Tl -","- C40 H32 Cl4 O4 S8 Tl4 -","4","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.082","0.0634","","","0.1443","0.1601","","","","","","1.093","","","","has coordinates,has disorder","227840","2020-10-21","18:00:00",""
"7701938","15.323","0.0007","14.3515","0.0006","7.4141","0.0004","90","","90","","90","","1630.42","0.13","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Cu N3 O8.5 -","- C14 H12 Cu N3 O8.5 -","- C56 H48 Cu4 N12 O34 -","4","1","","Saha, Sandeepta; Biswas, Niladri; Sasmal, Ashok; Gómez-García, Carlos J; Garribba, Eugenio; Bauza, Antonio; Frontera, Antonio; Pilet, Guillaume; Rosair, Georgina M.; Mitra, Samiran; Roy Choudhury, Chirantan","Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16102","16118","10.1039/c8dt02417k","","","0.71073","MoKα","","0.0361","0.0336","","0.0334","0.0329","0.0328","","","","","","1.046","","","","has coordinates","227841","2020-10-21","18:00:00",""
"7701946","17.4656","0.0018","8.3066","0.0006","20.8857","0.0016","90","","90","","90","","3030.1","0.4","85","2","85","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H30 Fe N8 O2 S2 -","- C30 H30 Fe N8 O2 S2 -","- C120 H120 Fe4 N32 O8 S8 -","4","1","","Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03412A","","","0.71075","MoKα","","0.1375","0.0617","","","0.1045","0.1251","","","","","","1.008","","","","has coordinates","227929","2020-10-21","18:00:00",""
"7701949","17.2689","0.001","8.5587","0.0004","21.2446","0.0012","90","","90","","90","","3139.9","0.3","120","","120","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H30 Fe N8 O2 S2 -","- C30 H30 Fe N8 O2 S2 -","- C120 H120 Fe4 N32 O8 S8 -","4","1","","Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03412A","","","0.71073","MoKα","","0.1244","0.0551","","","0.0888","0.1073","","","","","","1.0098","","","","has coordinates","227929","2020-10-21","18:00:00",""
"7701950","17.3108","0.001","8.6178","0.0004","21.2607","0.0014","90","","90","","90","","3171.7","0.3","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H30 Fe N8 O2 S2 -","- C30 H30 Fe N8 O2 S2 -","- C120 H120 Fe4 N32 O8 S8 -","4","1","","Geoghegan, Blaise L.; Phonsri, Wasinee; Horton, Peter N.; Orton, James B.; Coles, Simon J.; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Hysteretic thermal spin-crossover in heteroleptic Fe(ii) complexes using alkyl chain substituted 2,2′-dipyridylamine ligands","Dalton Transactions","2019","","","","","10.1039/C9DT03412A","","","0.71073","MoKα","","0.1234","0.054","","","0.0873","0.1043","","","","","","1.007","","","","has coordinates","227929","2020-10-21","18:00:00",""
"7702005","24.8564","0.0008","18.7724","0.0006","12.3412","0.0003","90","","90","","90","","5758.6","0.3","120.02","0.1","120.02","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H42 Cl4 N16 O16 Zn2 -","- C50 H42 Cl4 N16 O16 Zn2 -","- C200 H168 Cl16 N64 O64 Zn8 -","4","1","","Bodman, Samantha E.; Fitchett, Christopher M.","Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12606","12613","10.1039/c4dt01416b","","","0.71073","MoKα","","0.0912","0.0625","","","0.1264","0.1387","","","","","","1.073","","","","has coordinates,has disorder","232785","2020-10-21","18:00:00",""
"7702026","19.4606","0.001","9.1786","0.0004","15.6625","0.0008","90","","90","","90","","2797.7","0.2","150","","149.71","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H23 B F15 N -","- C30 H23 B F15 N -","- C120 H92 B4 F60 N4 -","4","1","","Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.","B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7114","7117","10.1039/c5dt00921a","","","0.71073","MoKα","","0.04","0.0315","","","0.0649","0.0688","","","","","","1.0481","","","","has coordinates","233431","2020-10-21","18:00:00",""
"7702057","13.5916","0.0008","11.5913","0.0007","7.3557","0.0004","90","","90","","90","","1158.85","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","MeO-oHBI","(Z)-5-(2-hydroxy-5-methoxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Dolgopolova, E. A.; Moore, T. M.; Fellows, W. B.; Smith, M. D.; Shustova, N. B.","Photophysics of GFP-related chromophores imposed by a scaffold design.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9884","9891","10.1039/c5dt05063d","","x-ray","0.71073","MoKα","","0.0349","0.0334","","","0.0913","0.0925","","","","","","1.064","","","","has coordinates","233456","2020-10-21","18:00:00",""
"7702092","18.3851","0.0002","12.6327","0.0002","11.0342","0.0001","90","","90","","90","","2562.73","0.05","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H30 Cl2 F2 N P Pt -","- C26 H30 Cl2 F2 N P Pt -","- C104 H120 Cl8 F8 N4 P4 Pt4 -","4","1","","Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P.","Trapping five-coordinate platinum(iv) intermediates.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11397","11406","10.1039/c6dt02088g","","x-ray","0.71073","MoKα","","0.0287","0.0223","","","0.0394","0.0412","","","","","","1.028","","","","has coordinates","234743","2020-10-21","18:00:00",""
"7702189","20.304","0.002","9.711","0.0011","19.713","0.002","90","","90","","90","","3886.9","0.7","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H48 Au I P2 -","- C42 H48 Au I P2 -","- C168 H192 Au4 I4 P8 -","4","1","","Osawa, Masahisa; Aino, Masa-Aki; Nagakura, Takaki; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(i) complexes with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8229","8239","10.1039/c8dt01097h","","","0.71073","MoKα","","0.0183","0.018","","","0.043","0.0431","","","","","","1.062","","","","has coordinates","236839","2020-10-21","18:00:00",""
"7702220","18.4315","0.0007","8.0099","0.0003","16.4703","0.0005","90","","90","","90","","2431.58","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H21 Cd N3 O9 -","- C25 H21 Cd N3 O9 -","- C100 H84 Cd4 N12 O36 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.0398","0.0343","","","0.0853","0.0921","","","","","","1.043","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702282","14.691","0.0013","21.9463","0.0018","22.837","0.0018","90","","90","","90","","7362.9","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H84 Br8 Mg4 N4 O14 -","- C64 H84 Br8 Mg4 N4 O14 -","- C256 H336 Br32 Mg16 N16 O56 -","4","1","","Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","375","387","10.1039/c9dt04359d","","","0.71073","MoKα","","0.0927","0.0455","","","0.0922","0.1033","","","","","","1.037","","","","has coordinates,has disorder","247727","2020-10-21","18:00:00",""
"7702488","13.729","0.003","8.0736","0.0009","17.869","0.002","90","","90","","90","","1980.6","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Complex 1","","","- C16 H22 Cu N4 O8 S -","- C16 H14 Cu N4 O8 S -","- C64 H56 Cu4 N16 O32 S4 -","4","1","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.0648","0.0537","","0.1389","0.1279","","","","1.077","1.128","1.128","","","","","has coordinates,has disorder","243881","2020-10-21","18:00:00",""
"7702556","24.219","0.005","9.127","0.002","13.515","0.002","90","","90","","90","","2987.4","1","299.2","","299.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H26 Cl4 Mn2 N10 O2 -","- C20 H26 Cl4 Mn2 N10 O2 -","- C80 H104 Cl16 Mn8 N40 O8 -","4","1","","Xu, Zhiqiang; Thompson, Laurence K.; Black, Daniel A.; Ralph, Corbin; Miller, David O.; Leech, Michael A.; Howard, Judith A. K.","N‒N Bridged dinuclear complexes with Mn(ii), Ni(ii), Cu(ii), Zn(ii) and Cd(ii); examples with antiferromagnetic and ferromagnetic coupling","Journal of the Chemical Society, Dalton Transactions","2001","","13","2042","","10.1039/b101445p","","","0.7107","MoKα","","0.054","0.034","","0.0295","","0.028","","","1.576","","","1.62","","","","has coordinates","243907","2020-10-21","18:00:00",""
"7702581","30.4539","0.0002","22.0854","0.0004","11.4593","0.0009","90","","90","","90","","7707.4","0.6","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C97 H83 Cl2 N2 Nb O2 -","- C97 H83 Cl2 N2 Nb O2 -","- C388 H332 Cl8 N8 Nb4 O8 -","4","1","","Schweiger, Scott W.; Tillison, Dana L.; Thorn, Matt G.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands","Journal of the Chemical Society, Dalton Transactions","2001","","16","2401","","10.1039/b101723n","","","0.71073","MO-Kα","","","0.058","","","","0.095","","","","","","1.008","","","","has coordinates","243910","2020-10-21","18:00:00",""
"7702582","30.4709","0.0001","22.0751","0.0002","11.4756","0.0004","90","","90","","90","","7719","0.3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C97 H83 Cl2 N2 O2 Ta -","- C97 H83 Cl2 N2 O2 Ta -","- C388 H332 Cl8 N8 O8 Ta4 -","4","1","","Schweiger, Scott W.; Tillison, Dana L.; Thorn, Matt G.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands","Journal of the Chemical Society, Dalton Transactions","2001","","16","2401","","10.1039/b101723n","","","0.71073","MO-Kα","","","0.046","","","","0.085","","","","","","0.975","","","","has coordinates","243910","2020-10-21","18:00:00",""
"7702951","16.01","0.004","29.907","0.006","6.3046","0.0013","90","","90","","90","","3018.7","1.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","10-(o-methoxyphenyl)phenoxarsine","","- C19 H15 As O2 -","- C19 H15 As O2 -","- C152 H120 As8 O16 -","8","2","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Samigullina, Aida I.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on 10-(aryl)phenoxarsines and their luminescence.","Dalton transactions (Cambridge, England : 2003)","2020","49","2","482","491","10.1039/c9dt04122b","","","0.71073","MoKα","","0.0647","0.0403","","","0.0892","0.1234","","","","","","1.088","","","","has coordinates","247730","2020-10-21","18:00:00",""
"7702962","16.678","0.004","10.147","0.003","7.008","0.002","90","","90","","90","","1186","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H15 Li O5 -","- C10 H15 Li O5 -","- C40 H60 Li4 O20 -","4","1","","Petrus, Rafał; Fałat, Patryk; Sobota, Piotr","Use of lithium aryloxides as promoters for preparation of α-hydroxy acid esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","866","876","10.1039/c9dt03631h","","","1.54178","CuKα","","0.0306","0.0303","","","0.0858","0.0861","","","","","","1.092","","","","has coordinates","247753","2020-10-21","18:00:00",""
"7703660","11.5468","0.0004","13.4262","0.0003","4.4785","0.0001","90","","90","","90","","694.3","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- B Cs H2 O8 P2 -","- B Cs H2 O8 P2 -","- B4 Cs4 H8 O32 P8 -","4","1","","Feng, Yuquan; Li, Zhenke; Zhong, Zhiguo; Wang, Hongwei; Qiu, Dongfang","CsBP<sub>2</sub>O<sub>6</sub>(OH)<sub>2</sub>: a second-order NLO material with a unique borophosphate anionic partial structure and strong SHG effect.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1388","1392","10.1039/c9dt04358f","","","0.71073","MoKα","","0.0276","0.0274","","","0.0622","0.0623","","","","","","1.093","","","","has coordinates,has disorder","248766","2020-10-21","18:00:00",""
"7703872","17.0942","0.0002","10.2626","0.0001","17.9547","0.0002","90","","90","","90","","3149.81","0.06","130","0.14","130","0.14","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H24 N6 O4 P2 W -","- C34 H24 N6 O4 P2 W -","- C136 H96 N24 O16 P8 W4 -","4","1","","Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.","An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5312","5322","10.1039/d0dt00609b","","","0.71073","MoKα","","0.0203","0.0177","","","0.036","0.0369","","","","","","1.103","","","","has coordinates","251629","2020-10-21","18:00:00",""
"7703873","9.573","0.0007","11.5948","0.0007","5.1311","0.0004","90","","90","","90","","569.54","0.07","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F4 H8 N2 O8 S2 Sb2 -","- F4 H8 N2 O8 S2 Sb2 -","- F8 H16 N4 O16 S4 Sb4 -","2","0.5","","He, Fangfang; Ge, Yuwei; Zhao, Xiaoyu; He, Jing; Huang, Ling; Gao, Daojiang; Bi, Jian; Wang, Xin; Zou, Guohong","Two-stage evolution from phosphate to sulfate of new KTP-type family members as UV nonlinear optical materials through chemical cosubstitution-oriented design.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5276","5282","10.1039/d0dt00846j","","","0.71073","MoKα","","0.0261","0.0223","","","0.0537","0.0554","","","","","","1.005","","","","has coordinates","251614","2020-10-21","18:00:00",""
"7703903","14.2522","0.0003","5.9764","0.0001","12.0658","0.0002","90","","90","","90","","1027.73","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 O2 P -","- C11 H11 O2 P -","- C44 H44 O8 P4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.0611","0.0593","","","0.1632","0.1647","","","","","","1.098","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703958","13.7658","0.0005","15.0676","0.0006","8.9198","0.0003","90","","90","","90","","1850.12","0.12","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 Cl2 Co N3 O2 -","- C18 H18 Cl2 Co N3 O2 -","- C72 H72 Cl8 Co4 N12 O8 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0271","0.0245","","","0.0599","0.0615","","","","","","1.054","","","","has coordinates","250132","2020-10-21","18:00:00",""
"7704077","27.1016","0.0009","11.3994","0.0005","6.2796","0.0003","90","","90","","90","","1940.03","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 N3 O2 -","- C27 H17 N3 O2 -","- C108 H68 N12 O8 -","4","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","","0.71073","MoKα","","0.0513","0.0435","","","0.0898","0.0935","","","","","","1.058","","","","has coordinates","252790","2020-10-21","18:00:00",""
"7704105","29.279","0.004","10.4375","0.0013","4.6429","0.0006","90","","90","","90","","1418.9","0.3","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","HLc","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0475","0.0432","","","0.105","0.1092","","","","","","1.072","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704322","7.6657","0.0002","17.2855","0.0005","17.1528","0.0005","90","","90","","90","","2272.84","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H27 N3 O2 S2 -","- C23 H27 N3 O2 S2 -","- C92 H108 N12 O8 S8 -","4","1","","Johnson, Katherine R.; Vittardi, Sebastian B.; Gracia-Nava, Manuel A; Rack, Jeffrey J.; de Bettencourt-Dias, Ana","Luminescent lanthanide complexes with a pyridine-bis(carboxamide)-bithiophene sensitizer showing wavelength-dependent singlet oxygen generation.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6661","6667","10.1039/d0dt01034k","","","0.71073","MoKα","","0.032","0.031","","","0.0895","0.0905","","","","","","1.096","","","","has coordinates,has disorder","252781","2020-10-21","18:00:00",""
"7704511","33.7644","0.0014","12.0728","0.0006","11.6209","0.0005","90","","90","","90","","4737","0.4","106","9","106","9","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C36.46 H44.9 B N3 Na O7.4 P6 -","- C36.46 H44.9079 B N3 Na O7.4043 P6 -","- C145.84 H179.632 B4 N12 Na4 O29.6172 P24 -","4","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1366","0.1122","","","0.2802","0.3057","","","","","","1.059","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704625","24.8547","0.0004","7.3001","0.0001","23.4383","0.0005","90","","90","","90","","4252.69","0.13","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C42 H38 Ag2 Cl2 Hg2 N6 O10 -","- C42 H38 Ag2 Cl2 Hg2 N6 O10 -","- C168 H152 Ag8 Cl8 Hg8 N24 O40 -","4","1","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0472","0.0354","","","0.0666","0.0705","","","","","","1.028","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704912","23.856","0.004","8.3192","0.0018","17.006","0.003","90","","90","","90","","3375.1","1.1","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C152 H128 Br8 N24 O8 -","8","2","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.1077","0.0564","","","0.1281","0.1554","","","","","","1.029","","","","has coordinates,has disorder","256060","2020-10-21","18:00:00",""
"7704919","19.4496","0.0015","11.4429","0.0009","29.881","0.002","90","","90","","90","","6650.3","0.9","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C50 H0 Mo4 O29 Ti4 -","- C50 Mo4 O29 Ti4 -","- C200 Mo16 O116 Ti16 -","4","1","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.1142","0.0814","","","0.1695","0.201","","","","","","1.172","","","","has coordinates","257527","2020-10-21","18:00:00",""
"7704933","17.1022","0.0009","10.7274","0.0005","10.7037","0.0005","90","","90","","90","","1963.72","0.17","100","","100.03","","","","","","","","","4","P n a 21","P 2c -2n","33","","6-azaspiro[5.5]undecane cadmium dicyanamide","","- C16 H20 Cd N10 -","- C16 H20 Cd N10 -","- C64 H80 Cd4 N40 -","4","1","","Burger, Stefan; Kronawitter, Silva; Boström, Hanna L B; Zaręba, Jan K; Kieslich, Gregor","A new polar perovskite coordination network with azaspiroundecane as A-site cation.","Dalton transactions (Cambridge, England : 2003)","2020","49","31","10740","10744","10.1039/d0dt01968b","","","0.71073","MoKα","","0.0175","0.0153","","","0.0355","0.0377","","","","","","1.125","","","","has coordinates","256092","2020-10-21","18:00:00",""
"7705164","26.9482","0.0014","16.5518","0.0008","8.8695","0.0004","90","","90","","90","","3956.2","0.3","150","2","149.96","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H59 Cl Fe N4 Si5 -","- C27 H59 Cl Fe N4 Si5 -","- C108 H236 Cl4 Fe4 N16 Si20 -","4","1","","He, Zhiyuan; Xue, Xiaolian; Liu, Yilan; Yu, Na; Krogman, Jeremy P.","Aminolysis of bis[bis(trimethylsilyl)amido]-manganese, -iron, and -cobalt for the synthesis of mono- and bis-silylene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12586","12591","10.1039/d0dt00570c","","","0.71073","MoKα","","0.0519","0.0431","","","0.1163","0.122","","","","","","1.056","","","","has coordinates","257536","2020-10-21","18:00:00",""
"7705173","15.3269","0.0003","13.8051","0.0002","11.6358","0.0002","90","","90","","90","","2462.01","0.07","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","[Cu(NNN-pincer)-DMF]","","","- C26 H28 Cu N4 O3 -","- C26 H28 Cu N4 O3 -","- C104 H112 Cu4 N16 O12 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0388","0.0366","","","0.0998","0.1025","","","","","","1.057","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7705205","22.6214","0.0007","8.4955","0.0003","14.142","0.0004","90","","90","","90","","2717.81","0.15","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H37 Au Cl N2 P -","- C28 H37 Au Cl N2 P -","- C112 H148 Au4 Cl4 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0293","0.026","","","0.0588","0.0601","","","","","","1.025","","","","has coordinates","257564","2020-10-21","18:00:00",""
"7705217","28.3905","0.0012","7.0545","0.0004","28.8336","0.0015","90","","90","","90","","5774.8","0.5","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H20 B10 F8 S2 -","- C26 H20 B10 F8 S2 -","- C208 H160 B80 F64 S16 -","8","2","","Shida, Naoki; Owaki, Satoshi; Eguchi, Hiroshi; Nishikawa, Takanobu; Tomita, Ikuyoshi; Inagi, Shinsuke","Bis(pentafluorophenyl)-o-carborane and its arylthio derivatives: synthesis, electrochemistry and optical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","12985","12989","10.1039/d0dt02205e","","","0.71075","MoKα","","0.1312","0.1171","","","0.3492","0.3603","","","","","","1.459","","","","has coordinates","257518","2020-10-21","18:00:00",""
"7705248","31.9296","0.0006","8.1535","0.0001","18.8459","0.0003","90","","90","","90","","4906.3","0.13","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H26 B N7 O2 W -","- C23 H26 B N7 O2 W -","- C184 H208 B8 N56 O16 W8 -","8","2","","Frogley, Benjamin J.; Hill, Anthony F.","Carbyne decorated porphyrins.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12390","12400","10.1039/d0dt02809f","","","1.54184","CuKα","","0.0565","0.0515","","","0.1198","0.1226","","","","","","1.11","","","","has coordinates,has disorder","257566","2020-10-21","18:00:00",""
"7705301","19.885","0.0004","15.3326","0.0003","7.25084","0.00018","90","","90","","90","","2210.7","0.08","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H19 N O Pd S2 -","- C28 H19 N O Pd S2 -","- C112 H76 N4 O4 Pd4 S8 -","4","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.0416","0.0308","","","0.0608","0.0675","","","","","","1.068","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705332","15.3334","0.0004","11.384","0.0003","27.2807","0.0006","90","","90","","90","","4762","0.2","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","IB-305","","- C22 H21 N3 O2 P2 S4 -","- C22 H21 N3 O2 P2 S4 -","- C176 H168 N24 O16 P16 S32 -","8","2","","Begum, Imtiaz; Kalisch, Tim; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Streubel, Rainer","[4 + 2]-Cycloadditions of a thiazol-based tricyclic 1,4-diphosphinine and a new easy 1,4-diphosphinine protection deprotection strategy.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12776","12779","10.1039/d0dt02529a","","","1.54178","CuKα","","0.1461","0.0954","","","0.2203","0.2659","","","","","","1.022","","","","has coordinates","257546","2020-10-21","18:00:00",""
"7705387","18.982","0.002","10.4417","0.0012","14.3738","0.0014","90","","90","","90","","2848.9","0.5","150","","150","","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C22 H32 F12 N2 O6 Sr -","- C22 H32 F12 N2 O6 Sr -","- C88 H128 F48 N8 O24 Sr4 -","4","1","","Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann","Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.","Dalton transactions (Cambridge, England : 2003)","2020","49","37","13017","13028","10.1039/d0dt02573a","","x-ray","0.71073","MoKα","","0.0295","0.0248","","","0.0557","0.0571","","","","","","1.113","","","","has coordinates","257509","2020-10-21","18:00:00",""
"7705461","16.4916","0.0016","12.6597","0.0012","19.3006","0.0018","90","","90","","90","","4029.6","0.7","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H47 B Cu N7 -","- C44 H47 B Cu N7 -","- C176 H188 B4 Cu4 N28 -","4","1","","Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J","Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14647","14655","10.1039/d0dt03198d","","x-ray","0.71073","MoKα","","0.0476","0.0378","","","0.0822","0.0889","","","","","","1.076","","","","has coordinates,has disorder","258785","2020-11-06","11:56:42",""
"7705484","24.6016","0.0011","10.2764","0.0005","16.4397","0.0008","90","","90","","90","","4156.2","0.3","120","2","120","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C40 H45 Cl2 F6 N3 Os P Sb -","- C39 H43 F6 N3 Os P Sb -","- C156 H172 F24 N12 Os4 P4 Sb4 -","4","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0257","0.0232","","","0.0557","0.0572","","","","","","1.029","","","","has coordinates","258835","2020-11-06","12:13:31",""
"7705560","18.2567","0.0003","11.3141","0.0002","11.7597","0.0002","90","","90","","90","","2429.06","0.07","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H40 Mg N4 -","- C26 H40 Mg N4 -","- C104 H160 Mg4 N16 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.54184","CuKα","","0.0245","0.0242","","","0.0641","0.0643","","","","","","1.037","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705601","12.137","0.0019","15.25","0.0011","10.851","0.003","90","","90","","90","","2008.4","0.7","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Methyl-7-(2-pyrazinyl)-2<i>H</i>-3<i>H</i>-7<i>H</i>[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]-triazolium hexachlorostannate dihydrate","","- C8 H13 Cl6 N7 O2 Sn -","- C8 H13 Cl6 N7 O2 Sn -","- C32 H52 Cl24 N28 O8 Sn4 -","4","1","","Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto","Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14452","14462","10.1039/d0dt02572k","","x-ray","0.71073","MoKα","","0.0295","0.0231","","","0.0514","0.055","","","","","","1.075","","","","has coordinates,has disorder","258791","2020-11-06","11:58:21",""
"7705674","27.861","0.005","30.137","0.006","10.465","0.001","90","","90","","90","","8787","3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H10 Cl Cu N3 O3 -","- C9 H10 Cl Cu N3 O3 -","- C288 H320 Cl32 Cu32 N96 O96 -","32","8","","Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek","From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14626","14639","10.1039/d0dt03038d","","","0.7","Synchrotron","","0.1083","0.0689","","","0.169","0.1922","","","","","","1.006","","","","has coordinates","258782","2020-11-06","11:55:47",""
"7705855","26.2257","0.0001","18.1905","0.0001","15.8286","0.0001","90","","90","","90","","7551.17","0.07","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C71 H81 B F24 N O2 P2 Rh -","- C71 H81 B F24 N O2 P2 Rh -","- C284 H324 B4 F96 N4 O8 P8 Rh4 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.034","0.0323","","","0.0864","0.0881","","","","","","1.023","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705902","25.6309","0.0019","3.625","0.0003","21.0696","0.0016","90","","90","","90","","1957.6","0.3","117.4","0.5","117.4","0.5","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H12 Cu N6 -","- C18 H12 Cu N6 -","- C72 H48 Cu4 N24 -","4","1","","Zhao, Yan; Li, Lei; Ding, Bo; Wang, Xiu-Guang; Liu, Zheng-Yu; Yang, En-Cui; Zhao, Xiao-Jun","Encapsulated anion-dominated photocatalytic and adsorption performances for organic dye degradation and oxoanion pollutant capture over cationic Cu(i)-organic framework semiconductors.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","197","207","10.1039/d0dt03662e","","x-ray","0.71073","MoKα","","0.0444","0.0409","","","0.0998","0.1018","","","","","","1.046","","","","has coordinates","261638","2021-02-04","23:06:48",""
"7705903","25.868","0.006","3.756","0.001","20.661","0.005","90","","90","","90","","2007.4","0.9","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H16 Cl Cu N6 O6 -","- C18 H12 Cu N6 -","- C72 H48 Cu4 N24 -","4","1","","Zhao, Yan; Li, Lei; Ding, Bo; Wang, Xiu-Guang; Liu, Zheng-Yu; Yang, En-Cui; Zhao, Xiao-Jun","Encapsulated anion-dominated photocatalytic and adsorption performances for organic dye degradation and oxoanion pollutant capture over cationic Cu(i)-organic framework semiconductors.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","197","207","10.1039/d0dt03662e","","","0.71073","MoKα","","0.0934","0.0634","","","0.1333","0.1423","","","","","","1.029","","","","has coordinates","261638","2021-02-04","23:06:48",""
"7706006","7.698","0.002","21.736","0.005","8.525","0.002","90","","90","","90","","1426.4","0.6","190","2","190","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H14 N4 Ni S4 -","- C9 H14 N4 Ni S4 -","- C36 H56 N16 Ni4 S16 -","4","1","","Bilyj, Jessica K.; Silajew, Nicole V.; Bernhardt, Paul V.","Nickel coordination chemistry of bis(dithiocarbazate) Schiff base ligands; metal and ligand centred redox reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","612","623","10.1039/d0dt03204b","","x-ray","0.7107","MoKα","","0.0593","0.05","","","0.113","0.1193","","","","","","0.979","","","","has coordinates","261679","2021-02-04","23:16:05",""
"7706112","40.4446","0.0012","10.7492","0.0003","12.5916","0.0003","90","","90","","90","","5474.2","0.3","135","2","135","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H41 N2 P -","- C29 H41 N2 P -","- C232 H328 N16 P8 -","8","2","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","1.54178","CuKα","","0.0574","0.0449","","","0.1025","0.1085","","","","","","1.033","","","","has coordinates,has disorder","259993","2020-12-19","03:23:29",""
"7706430","10.4559","0.0002","16.5321","0.0004","24.7285","0.0005","90","","90","","90","","4274.52","0.16","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H38 Li2 N4 O21 Zn2 -","- C24 H20 Li2 N2 O17 Zn2 -","- C96 H80 Li8 N8 O68 Zn8 -","4","1","","Sapianik, Aleksandr A.; Barsukova, Marina O.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Fedin, Vladimir P.","Heterometallic MOFs constructed from thiophene and furandicarboxylate ligands for heavy metal luminescence sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2807","2814","10.1039/d0dt04047a","","x-ray","0.71073","MoKα","","0.0392","0.0365","","","0.087","0.0881","","","","","","1.059","","","","has coordinates,has disorder","262600","2021-03-05","01:54:02",""
"7706514","24.0054","0.0003","12.4116","0.0002","22.5277","0.0005","90","","90","","90","","6712","0.2","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","poly-[tris(1,10-phenanthrolin-1-ium 1,10-phenanthroline) heptaiodide]","poly-[tris(1,10-phenanthrolin-1-ium 1,10-phenanthroline) heptaiodide]","","- C72 H51 I7 N12 -","- C72 H51 I7 N12 -","- C288 H204 I28 N48 -","4","1","","Poręba, Tomasz; Swiątkowski, Marcin; Kruszyński, Rafał","Molecular self-assembly of 1D infinite polyiodide helices in a phenanthrolinium salt.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2800","2806","10.1039/d0dt04042h","","x-ray","1.54184","CuKα","","0.0619","0.0574","","","0.1366","0.1391","","","","","","1.167","","","","has coordinates","262594","2021-03-05","01:50:55",""
"7706589","23.3652","0.0008","21.7884","0.0007","6.1889","0.0002","90","","90","","90","","3150.71","0.18","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H25 Cl N O3 Re S2 -","- C38 H25 Cl N O3 Re S2 -","- C152 H100 Cl4 N4 O12 Re4 S8 -","4","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","x-ray","0.71073","MoKα","","0.0418","0.03","","","0.0532","0.0577","","","","","","1.069","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706651","12.7035","0.0003","14.8054","0.0003","20.1007","0.0004","90","","90","","90","","3780.55","0.14","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H44 Cl2 Dy N9 O7 -","- C32 H44 Cl2 Dy N9 O7 -","- C128 H176 Cl8 Dy4 N36 O28 -","4","1","","Ali, Basharat; Li, Xiao-Lei; Gendron, Frédéric; Le Guennic, Boris; Tang, Jinkui","A new class of Dy<sup>III</sup>-SIMs associated with a guanidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5146","5153","10.1039/d1dt00260k","","x-ray","1.54178","CuKα","","0.0534","0.0443","","","0.1033","0.1093","","","","","","1.027","","","","has coordinates","264907","2021-05-05","08:42:40",""
"7706785","25.312","0.002","9.6184","0.0007","13.5131","0.0009","90","","90","","90","","3289.9","0.4","110","0.1","110","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H29 Au Br0.83 Cl3.17 P2 -","- C33 H29 Au Br0.828 Cl3.172 P2 -","- C132 H116 Au4 Br3.312 Cl12.688 P8 -","4","1","","Rousselle, Benjamin; Bouyer, Florence; Bayardon, Jérôme; Laly, Myriam; Ghiringhelli, François; Rousselin, Yoann; Bodio, Ewen; Malacea-Kabbara, Raluca","Development of a novel highly anti-proliferative family of gold complexes: Au(i)-phosphonium-phosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4880","4889","10.1039/d0dt03708g","","x-ray","0.71073","MoKα~1~","K-L~3~","0.1258","0.0644","","","0.1227","0.1461","","","","","","0.986","","","","has coordinates,has disorder","266072","2021-06-05","18:50:22",""
"7707078","17.2276","0.0005","11.643","0.0003","12.716","0.0004","90","","90","","90","","2550.59","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H26 B2 Cl4 N2 P2 -","- C24 H26 B2 Cl4 N2 P2 -","- C96 H104 B8 Cl16 N8 P8 -","4","1","","Panova, Yulia; Khristolyubova, Alexandra; Zolotareva, Natalia; Sushev, Vyacheslav; Galperin, Vadim; Rumyantcev, Roman; Fukin, Georgy; Kornev, Alexander","Interaction of dicoordinate phosphorus with boranes: chemistry of 3a,6a-diaza-1,4-diphosphapentalene as masked phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5890","5898","10.1039/d1dt00747e","","","0.71073","MoKα","","0.0636","0.0588","","","0.1304","0.1326","","","","","","1.047","","","","has coordinates,has disorder","266008","2021-06-05","18:32:37",""
"7707084","5.9078","0.0003","25.4382","0.001","5.7398","0.0002","90","","90","","90","","862.6","0.06","99","2","99","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- La P3 Si -","- La P3 Si -","- La8 P24 Si8 -","8","2","","Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill","Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6463","6476","10.1039/d1dt00845e","","","0.71073","MoKα","","0.0175","0.0167","","","0.0391","0.0395","","","","","","1.208","","","","has coordinates","266021","2021-06-05","18:35:53",""
"7707086","5.8633","0.0003","25.3141","0.0011","5.7097","0.0003","90","","90","","90","","847.46","0.07","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","CeSiP3(Pna21)","","- Ce P3 Si -","- Ce P3 Si -","- Ce8 P24 Si8 -","8","2","","Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill","Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6463","6476","10.1039/d1dt00845e","","","0.71073","MoKα","","0.0139","0.0138","","","0.0347","0.0349","","","","","","1.318","","","","has coordinates","266021","2021-06-05","18:35:53",""
"7707195","31.3574","0.0016","11.0783","0.0005","21.4842","0.001","90","","90","","90","","7463.3","0.6","291.19","0.18","291.19","0.18","","","","","","","","6","P n a 21","P 2c -2n","33","(mu2-carbonatato)-bis(acetonitrile)-bis[1-methyl-4-(2-pyridin-2-ylethyl)-1,4-diazepane-N,N',N""]-di-nickel(II) bis(tetraphenylborate) acetonitrile solvate (1:2)","(mu2-carbonatato)-bis(acetonitrile)-bis[1-methyl-4-(2-pyridin-2-ylethyl)-1,4-diazepane-N,N',N""]-di-nickel(II) bis(tetraphenylborate) acetonitrile solvate (1:2)","","- C83 H94 B2 N10 Ni2 O3 -","- C83 H94 B2 N10 Ni2 O3 -","- C332 H376 B8 N40 Ni8 O12 -","4","1","","Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Fixation of atmospheric CO<sub>2</sub> as C1-feedstock by nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7984","7994","10.1039/d0dt03887c","","x-ray","0.71073","MoKα","","0.0572","0.0396","","","0.062","0.0708","","","","","","1.02","","","","has coordinates","267185","2021-07-05","17:41:55",""
"7707213","23.0818","0.0017","11.7771","0.0008","22.3446","0.0016","90","","90","","90","","6074.1","0.7","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C73.45 H54.8 Ir N4 O8.45 S -","- C73.45 H54.8 Ir N4 O8.45 S -","- C293.8 H219.2 Ir4 N16 O33.8 S4 -","4","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0493","0.04","","","0.0964","0.101","","","","","","1.023","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707229","16.5692","0.0003","8.8974","0.0002","12.9189","0.0003","90","","90","","90","","1904.54","0.07","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[K(18-crown-6)][PHC(O)NHNH2]","","- C13 H28 K N2 O7 P -","- C13 H28 K N2 O7 P -","- C52 H112 K4 N8 O28 P4 -","4","1","","Faria, Erica N.; Jupp, Andrew R.; Goicoechea, Jose M.","Novel primary phosphinecarboxamides derived from diamines.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6991","6996","10.1039/d1dt01198g","","","0.71073","MoKα","","0.0349","0.0292","","","0.0587","0.062","","","","","","1.059","","","","has coordinates,has disorder","266047","2021-06-05","18:43:03",""
"7707599","30.443","0.003","7.8475","0.0008","13.5033","0.0012","90","","90","","90","","3226","0.5","100","2","100","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","(C8H20N)2[UO2(NCS)4(H2O)](H2O)","","","- C20 H44 N6 O4 S4 U -","- C20 H44 N6 O4 S4 U -","- C80 H176 N24 O16 S16 U4 -","4","1","","Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.","Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9158","9172","10.1039/d1dt01464a","","x-ray","0.71073","MoKα","","0.044","0.0308","","","0.057","0.0608","","","","","","0.946","","","","has coordinates","268766","2021-09-06","11:12:49",""
"7707740","7.3292","0.0008","14.3427","0.0015","6.3485","0.0005","90","","90","","90","","667.36","0.11","128","","128","","","","","","","","","4","P n a 21","P 2c -2n","33","2-nitratoethyl-5H-tetrazole","2-nitratoethyl-5H-tetrazole","","- C3 H5 N5 O3 -","- C3 H5 N5 O3 -","- C12 H20 N20 O12 -","4","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0496","0.0361","","","0.0733","0.0806","","","","","","1.058","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7708020","20.2985","0.0008","28.7063","0.0012","16.5024","0.0007","90","","90","","90","","9615.9","0.7","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","2H","","- C72 H87 Cl4 F6 N6 O6 S2 Sb2 -","- C72 H87 Cl4 F6 N6 O6 S2 Sb2 -","- C288 H348 Cl16 F24 N24 O24 S8 Sb8 -","4","1","","Tidwell, John R.; Dutton, Jason L.; Martin, Caleb D.","Antimony diiminopyridine complexes","Dalton Transactions","2021","50","34","11716","11719","10.1039/D1DT02085D","","","0.71073","MoKα","","0.0529","0.0451","","","0.1121","0.1157","","","","","","1.063","","","","has coordinates","268814","2021-09-06","11:30:54",""
"7708390","15.88","0.0004","12.7849","0.0003","16.1773","0.0004","90","","90","","90","","3284.38","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H40 Cu2 Eu I4 O8 -","- C16 H40 Cu2 Eu I4 O8 -","- C64 H160 Cu8 Eu4 I16 O32 -","4","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Rogozhin, Anton F.; Yablonskiy, Artem N.; Andreev, Boris A.; Rumyantsev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Luminescence thermochromism in novel mixed Eu(ii)‒Cu(i) iodide","Dalton Transactions","2021","","","","","10.1039/D1DT02384E","","","0.71073","MoKα","","0.0515","0.0475","","","0.1151","0.118","","","","","","1.034","","","","has coordinates,has disorder","269271","2021-09-23","23:09:31",""
"7708391","16.0747","0.0008","12.9699","0.0006","16.3759","0.001","90","","90","","90","","3414.2","0.3","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H40 Cu2 Eu I4 O8 -","- C16 H40 Cu2 Eu I4 O8 -","- C64 H160 Cu8 Eu4 I16 O32 -","4","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Rogozhin, Anton F.; Yablonskiy, Artem N.; Andreev, Boris A.; Rumyantsev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Luminescence thermochromism in novel mixed Eu(ii)‒Cu(i) iodide","Dalton Transactions","2021","","","","","10.1039/D1DT02384E","","","0.71073","MoKα","","0.0655","0.048","","","0.1052","0.1153","","","","","","1.048","","","","has coordinates,has disorder","269271","2021-09-23","23:09:32",""
"7708404","18.943","0.003","15.0354","0.0017","17.129","0.002","90","","90","","90","","4878.6","1.1","150","","150","","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C30 H78 Ge2 O3 Si6 Yb -","- C30 H78 Ge2 O3 Si6 Yb -","- C120 H312 Ge8 O12 Si24 Yb4 -","4","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Cordier, Marie; Kahlal, Samia; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Bonding analysis in ytterbium(ii) distannyl and related tetryls","Dalton Transactions","2021","","","","","10.1039/D1DT02355A","","x-ray","0.71073","MoKα","","0.0342","0.0265","","","0.0516","0.0548","","","","","","1.058","","","","has coordinates,has disorder","269278","2021-09-23","23:14:05",""
"7708533","15.707","0.007","11.11","0.004","12.636","0.005","90","","90","","90","","2205","1.5","104","2","104","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H22 F8 Fe N4 O2 P -","- C20 H22 F8 Fe N4 O2 P -","- C80 H88 F32 Fe4 N16 O8 P4 -","4","1","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.0403","0.0381","","","0.0986","0.1003","","","","","","1.031","","","","has coordinates","269885","2021-10-10","22:56:41",""
"7708534","15.98","0.003","11.5516","0.0019","12.899","0.002","90","","90","","90","","2381.1","0.7","297","2","297","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H22 F8 Fe N4 O2 P -","- C20 H22 F8 Fe N4 O2 P -","- C80 H88 F32 Fe4 N16 O8 P4 -","4","1","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.053","0.043","","","0.1129","0.1198","","","","","","1.021","","","","has coordinates","269885","2021-10-10","22:56:42",""
"7708605","27.5551","0.0009","21.0953","0.0007","33.6113","0.0009","90","","90","","90","","19537.7","1","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C194 H214 Cl6 Ir2 N16 O9 -","- C194 H214 Cl6 Ir2 N16 O9 -","- C776 H856 Cl24 Ir8 N64 O36 -","4","1","","Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan","Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)","Dalton Transactions","2021","","","","","10.1039/D1DT03579G","","x-ray","0.71073","MoKα","","0.0724","0.0504","","","0.1174","0.1298","","","","","","1.021","","","","has coordinates,has disorder","270117","2021-10-28","23:34:12",""
"7708647","17.7686","0.0006","10.5284","0.0003","19.2875","0.0006","90","","90","","90","","3608.21","0.19","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H42 Au Cl P2 S2 -","- C39 H42 Au Cl P2 S2 -","- C156 H168 Au4 Cl4 P8 S8 -","4","1","","Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul","On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride","Dalton Transactions","2021","","","","","10.1039/D1DT03400F","","","0.71073","MoKα","","0.0318","0.0231","","","0.044","0.0467","","","","","","0.966","","","","has coordinates","270169","2021-10-29","22:58:18",""
"7708680","28.7566","0.0008","14.3706","0.0004","30.3845","0.001","90","","90","","90","","12556.4","0.6","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C77.1 H68.2 B Cu N2 O1.7 P2 -","- C77.1 H68.2 B Cu N2 O1.7 P2 -","- C616.8 H545.6 B8 Cu8 N16 O13.6 P16 -","8","2","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.54178","CuKα","","0.0764","0.0592","","","0.1389","0.1509","","","","","","1.009","","","","has coordinates","270220","2021-11-03","00:03:27",""
"7708772","17.218","0.001","13.9664","0.0008","18.1404","0.001","90","","90","","90","","4362.3","0.4","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H45 B Br2 Cl2 O P2 -","- C48 H45 B Br2 Cl2 O P2 -","- C192 H180 B4 Br8 Cl8 O4 P8 -","4","1","","Xiang, Libo; Wang, Junyi; Su, Wei; Lin, Zhenyang; Ye, Qing","Facile Access to Halogenated Cationic B=C-centered Organoboron Isoelectronic with Alkenyl Halides","Dalton Transactions","2021","","","","","10.1039/D1DT03325E","","","0.71073","MoKα","","0.0897","0.0653","","","0.1674","0.1818","","","","","","1.039","","","","has coordinates,has disorder","270586","2021-11-10","23:58:46",""
"7708834","18.1718","0.0008","11.3807","0.0004","20.0056","0.0007","90","","90","","90","","4137.3","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H61 N3 O4 Pd -","- C42 H61 N3 O4 Pd -","- C168 H244 N12 O16 Pd4 -","4","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","1.54178","CuKα","","0.0201","0.0199","","","0.0515","0.0516","","","","","","1.054","","","","has coordinates,has disorder","270672","2021-11-16","00:13:33",""
"7708906","19.651","0.0016","10.2987","0.0008","8.2925","0.0006","90","","90","","90","","1678.2","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H25 I N2 Si Zn -","- C9 H25 I N2 Si Zn -","- C36 H100 I4 N8 Si4 Zn4 -","4","1","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-State Control of Cobalt(II) and Iron(II) Complexes with Click-Derived Tripodal Ligands Through Non-Covalent and Fluorine-Specific Interactions","Dalton Transactions","2021","","","","","10.1039/D1DT03535E","","","0.71073","MoKα","","0.0493","0.0392","","","0.0881","0.0938","","","","","","1.028","","","","has coordinates,has disorder","270819","2021-11-23","00:02:40",""
"7709034","20.057","0.0011","7.8629","0.0004","19.9257","0.0012","90","","90","","90","","3142.4","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H20 B10 -","- C11 H20 B10 -","- C88 H160 B80 -","8","2","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Light-enabled alkenylation of iodocarboranes with unactivated alkenes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","104","110","10.1039/d1dt03726a","","","1.54178","CuKα","","0.093","0.0737","","","0.1893","0.206","","","","","","1.043","","","","has coordinates","272654","2022-02-04","19:32:34",""
"7709138","15.9022","0.0006","12.0154","0.0004","16.8911","0.0005","90","","90","","90","","3227.4","0.19","100","2","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H40 F12 N6 Ni O2 P2 -","- C23 H40 F12 N6 Ni O2 P2 -","- C92 H160 F48 N24 Ni4 O8 P8 -","4","1","","Pérez-Lourido, Paulo; Madarasi, Enikő; Antal, Fanni; Esteban-Gómez, David; Wang, Gaoji; Angelovski, Goran; Platas-Iglesias, Carlos; Tircsó, Gyula; Valencia, Laura","Stable and inert macrocyclic cobalt(II) and nickel(II) complexes with paraCEST response.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1580","1593","10.1039/d1dt03217h","","","0.71073","MoKα","","0.0266","0.0242","","","0.0559","0.0568","","","","","","1.033","","","","has coordinates","272684","2022-02-04","19:44:14",""
"7709162","10.9868","0.0007","4.5407","0.0003","18.0875","0.0012","90","","90","","90","","902.34","0.1","150","","150","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0436","0.0399","","","0.0906","0.0923","","","","","","1.078","","","","has coordinates","271593","2021-12-22","23:58:43",""
"7709168","24.28388","0.00012","22.79629","0.00011","14.35553","0.00007","90","","90","","90","","7946.97","0.07","130","1","130","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C72 H76 O14 Si12 -","- C72 H76 O14 Si12 -","- C288 H304 O56 Si48 -","4","1","","Mrzygłód, Aleksandra; Kubicki, Maciej; Dudziec, Beata","Vinyl- and chloromethyl-substituted mono-T8 and double-decker silsesquioxanes as specific cores to low generation dendritic systems","Dalton Transactions","2022","","","","","10.1039/D1DT04012J","","x-ray","1.54184","CuKα","","0.0418","0.0411","","","0.1146","0.1156","","","","","","1.036","","","","has coordinates","271611","2021-12-23","23:51:07",""
"7709204","26.2701","0.0004","22.9467","0.0005","22.6093","0.0003","90","","90","","90","","13629.2","0.4","101","2","101","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C134 H120 Cl8 Cs K N20 O22 Ru3 Sn2 -","- C128 H116 Cl6 Cs K N20 O22 Ru3 Sn2 -","- C512 H464 Cl24 Cs4 K4 N80 O88 Ru12 Sn8 -","4","1","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties","Dalton Transactions","2022","","","","","10.1039/D1DT04061H","","x-ray","0.71073","MoKα","","0.117","0.0882","","","0.2218","0.2455","","","","","","1.038","","","","has coordinates","271648","2021-12-29","23:50:12",""
"7709334","23.112","0.002","13.4449","0.0012","11.1997","0.001","90","","90","","90","","3480.2","0.5","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","(Z)-2,2-dimethyl-1-((triphenylsilyl)oxy)propylidene)(triphenylsilyl)","","- C10.25 H9.75 O0.25 P0.25 Si0.5 -","- C10.25 H9.75 O0.25 P0.25 Si0.5 -","- C164 H156 O4 P4 Si8 -","16","4","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","0.71073","MoKα","","0.0363","0.0328","","","0.0799","0.0852","","","","","","1.064","","","","has coordinates","272145","2022-01-19","23:58:08",""
"7709533","24.3646","0.0002","10.9273","0.0001","39.1524","0.0003","90","","90","","90","","10423.9","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C96 H168 Ag2 Al2 N12 Si4 -","- C96 H168 Ag2 Al2 N12 Si4 -","- C384 H672 Ag8 Al8 N48 Si16 -","4","1","","Hill, Michael; Liu, Han-Ying; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire Louise","On the Reactivity of Al-Group 11 (Cu, Ag, Au) Bonds","Dalton Transactions","2022","","","","","10.1039/D2DT00404F","","x-ray","1.54184","CuKα","","0.0591","0.0571","","","0.1422","0.1454","","","","","","1.045","","","","has coordinates,has disorder","272985","2022-02-16","00:07:23",""
"7709779","6.5238","0.0013","6.9618","0.0008","11.3592","0.0009","90","","90","","90","","515.91","0.13","101","2","101","2","","","","","","","","4","P n a 21","P 2c -2n","33","FOX-7-d4","d4-diamino-dinitroethene","","- C2 D4 N4 O4 -","- C2 D4 N4 O4 -","- C8 D16 N16 O16 -","4","1","","Klapoetke, Thomas M.; Krumm, Burkhard; Lechner, Jasmin; Stierstorfer, Joerg","Investigation of Deuterated FOX-7 – Changes in Structural Behavior and Energetic Characteristics after Deuteration at ambient conditions","Dalton Transactions","2022","","","","","10.1039/D2DT00490A","","x-ray","0.71073","MoKα","","0.0585","0.0442","","","0.0874","0.0937","","","","","","1.073","","","","has coordinates","273820","2022-03-18","23:54:51",""
"7709802","25.4342","0.0003","9.565","0.0001","19.629","0.0003","90","","90","","90","","4775.31","0.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H75 K O6 Si4 Sn -","- C36 H75 K O6 Si4 Sn -","- C144 H300 K4 O24 Si16 Sn4 -","4","1","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0348","0.0266","","","0.0505","0.0533","","","","","","1.018","","","","has coordinates","273905","2022-03-22","23:53:15",""
"7709870","14.5459","0.0003","9.243","0.0002","32.116","0.0007","90","","90","","90","","4317.92","0.16","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H28 B2 F20 Fe N4 -","- C44 H28 B2 F20 Fe N4 -","- C176 H112 B8 F80 Fe4 N16 -","4","1","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","0.71073","MoKα","","0.0619","0.0436","","","0.092","0.0998","","","","","","1.032","","","","has coordinates","274146","2022-03-30","23:12:27",""
"7709880","7.5429","0.0001","12.0207","0.0002","30.3806","0.0005","90","","90","","90","","2754.64","0.07","100","0.2","100","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H16 N4 O16 P2 Zn -","- C24 H16 N4 O16 P2 Zn -","- C96 H64 N16 O64 P8 Zn4 -","4","1","","Dębowski, Maciej; Guńka, Piotr Aleksander; Żurawski, Konrad; Zybert, Magdalena; Modzelewska, Beata; Ostrowski, Andrzej; Zachara, Janusz; Florjańczyk, Zbigniew Jan","Influence of substituents in aryl groups on the structure, thermal transitions and electrorheological properties of zinc bis(diarylphosphate) hybrid polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00492E","","x-ray","0.71073","MoKα","","0.091","0.0901","","","0.2303","0.232","","","","","","1.033","","","","has coordinates","274147","2022-03-30","23:14:22",""
"7710062","18.1737","0.001","4.5256","0.0002","19.0929","0.001","90","","90","","90","","1570.33","0.14","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H18 Br2 Hg S4 -","- C10 H18 Br2 Hg S4 -","- C40 H72 Br8 Hg4 S16 -","4","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0204","0.0182","","","0.0441","0.0451","","","","","","1.066","","","","has coordinates,has disorder","274588","2022-04-19","23:10:19",""
"7710113","17.5815","0.0002","11.4543","0.0001","18.0955","0.0002","90","","90","","90","","3644.14","0.07","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H52 O3 P2 Ru Zn -","- C39 H52 O3 P2 Ru Zn -","- C156 H208 O12 P8 Ru4 Zn4 -","4","1","","Fukuda, Kazuishi; Harada, Takuma; Iwasawa, Nobuharu; Takaya, Jun","Facile Synthesis and Utilization of Bis(o-phosphinophenyl)zinc as Isolable PZnP-pincer Ligands Enabled by Boron-Zinc Double Transmetallation","Dalton Transactions","2022","","","","","10.1039/D2DT01222G","","","1.54184","CuKα","","0.0262","0.0248","","","0.0581","0.0588","","","","","","1.046","","","","has coordinates","274648","2022-04-22","22:51:46",""
"7710125","14.6419","0.0012","13.5577","0.0009","19.6678","0.0016","90","","90","","90","","3904.3","0.5","140","","140","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H23 Cl N4 O2 Ru -","- C19 H23 Cl N4 O2 Ru -","- C152 H184 Cl8 N32 O16 Ru8 -","8","2","","Maji, Babulal; Bhandari, Anirban; Sadhukhan, Rayantan; Choudhury, Joyanta","Water‐soluble and reusable Ru–NHC catalyst for aqueous‐phase transfer hydrogenation of quinolines with formic acid","Dalton Transactions","2022","","","","","10.1039/D2DT00571A","","","0.71073","MoKα","","0.0242","0.0219","","","0.0507","0.0523","","","","","","1.037","","","","has coordinates","274702","2022-04-26","22:52:16",""
"7710231","30.0835","0.0004","11.3217","0.0001","19.9786","0.0002","90","","90","","90","","6804.64","0.13","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H94 N4 O7 Si2 -","- C72 H94 N4 O7 Si2 -","- C288 H376 N16 O28 Si8 -","4","1","","Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron","Facile activation of inert small molecules using a 1,2-disilylene","Dalton Transactions","2022","","","","","10.1039/D2DT00721E","","","1.54178","CuKα","","0.0807","0.079","","","0.2004","0.2014","","","","","","1.111","","","","has coordinates,has disorder","275310","2022-05-10","22:54:19",""
"7710264","18.2692","0.0008","10.018","0.0004","23.2815","0.0008","90","","90","","90","","4261","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","n/a","n/a","","- C48 H40 Cl2 Fe O2 P4 -","- C48 H40 Cl2 Fe O2 P4 -","- C192 H160 Cl8 Fe4 O8 P16 -","4","1","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Transition metal complexes of the PPO/POP ligand: variable coordination chemistry and photo-luminescence properties","Dalton Transactions","2022","","","","","10.1039/D2DT01091G","","","0.71073","MoKα","","0.0544","0.038","","","0.0784","0.085","","","","","","1.016","","","","has coordinates","275423","2022-05-13","22:58:58",""
"7710357","15.2412","0.0016","14.7907","0.0017","10.0443","0.0013","90","","90","","90","","2264.3","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","Cu(3Me-Cyc-N-E)(ClO4)2","Cu(TMC-N-E)(ClO4)2","","- C15 H34 Cl2 Cu N4 O9 -","- C15 H34 Cl2 Cu N4 O9 -","- C60 H136 Cl8 Cu4 N16 O36 -","4","1","","AlHaddad, Nancy; Lelong, Evan; Suh, Jong-Min; Cordier, Marie; Lim, Mi Hee; Royal, Guy; Platas-Iglesias, Carlos; Bernard, Hélène; Tripier, Raphaël","Copper(ii) and zinc(ii) complexation with N-ethylene hydroxycyclams and consequences on the macrocyclic backbone configuration","Dalton Transactions","2022","","","","","10.1039/D2DT00941B","","x-ray","0.71073","MoKα","","0.1278","0.0741","","","0.1841","0.2266","","","","","","1.028","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7710630","10.5749","0.0008","13.3927","0.001","4.8168","0.0004","90","","90","","90","","682.19","0.09","283","2","283","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ba H4 N2 O6 S2 -","- Ba H4 N2 O6 S2 -","- Ba4 H16 N8 O24 S8 -","4","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0637","0.0364","","","0.0631","0.07","","","","","","0.953","","","","has coordinates","276372","2022-06-28","22:53:29",""
"7710743","13.1872","0.0004","11.4097","0.0003","38.4881","0.0011","90","","90","","90","","5791","0.3","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H44 Cl2 N2 O2 P2 Pd -","- C24 H44 Cl2 N2 O2 P2 Pd -","- C192 H352 Cl16 N16 O16 P16 Pd8 -","8","2","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","0.71073","MoKα","","0.0464","0.035","","","0.0719","0.0783","","","","","","1.069","","","","has coordinates","276837","2022-07-23","00:13:03",""
"7710803","24.167","0.0015","14.2843","0.001","18.8613","0.0012","90","","90","","90","","6511.1","0.7","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C42 H41 Nb -","- C42 H41 Nb -","- C336 H328 Nb8 -","8","2","","de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger","A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways","Dalton Transactions","2022","","","","","10.1039/D2DT02063G","","","1.54178","CuKα","","0.0627","0.0589","","","0.1583","0.1625","","","","","","1.111","","","","has coordinates,has disorder","276949","2022-07-26","22:54:46",""
"7710961","17.8013","0.0002","15.2125","0.0002","9.0578","0.0001","90","","90","","90","","2452.87","0.05","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H36 I2 N2 O2 Pb -","- C19 H36 I2 N2 O2 Pb -","- C76 H144 I8 N8 O8 Pb4 -","4","1","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","1.54184","CuKα","","0.0379","0.0366","","","0.0955","0.0966","","","","","","1.052","","","","has coordinates","277242","2022-08-13","22:46:47",""
"7710981","40.622","0.002","11.093","0.0007","17.1001","0.0009","90","","90","","90","","7705.6","0.7","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C36 H33 Cl O2 P2 S4 Sn -","- C36 H33 Cl O2 P2 S4 Sn -","- C288 H264 Cl8 O16 P16 S32 Sn8 -","8","2","","Balogová, Michaela; Sharma, Shubham; Cherek, Paulina; Ólafsson, Sigurjon N.; Jónsdóttir, Sigríður; Ogmundsdottir, Helga M.; Damodaran, Krishna K.","Cytotoxic Effects of Halogenated Tin Phosphinoyldithioformate Complexes Against Several Cancer Cell Lines","Dalton Transactions","2022","","","","","10.1039/D2DT01127A","","","0.71073","MoKα","","0.0368","0.0336","","","0.0739","0.0754","","","","","","1.106","","","","has coordinates,has disorder","277252","2022-08-15","22:59:03",""
"7711065","12.8863","0.0018","5.7947","0.0008","38.748","0.007","90","","90","","90","","2893.4","0.8","273.15","","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H8 As F3 S2 -","- C15 H8 As F3 S2 -","- C120 H64 As8 F24 S16 -","8","2","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.059","0.0488","","","0.1075","0.1169","","","","","","1.026","","","","has coordinates,has disorder","277403","2022-08-25","22:49:37",""
"7711069","12.6354","0.0008","5.8417","0.0007","33.241","0.003","90","","90","","90","","2453.6","0.4","93.15","","93.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H9 As S2 -","- C14 H9 As S2 -","- C112 H72 As8 S16 -","8","2","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.0602","0.0463","","","0.0984","0.1071","","","","","","1.019","","","","has coordinates","277403","2022-08-25","22:49:37",""
"7711071","12.6098","0.0012","5.9542","0.0006","36.39","0.003","90","","90","","90","","2732.2","0.4","273.15","","273.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 As S2 -","- C15 H11 As S2 -","- C120 H88 As8 S16 -","8","2","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.1022","0.06","","","0.1446","0.1841","","","","","","0.838","","","","has coordinates","277403","2022-08-25","22:49:38",""
"7711207","19.4648","0.0013","21.0751","0.0014","14.7014","0.001","90","","90","","90","","6030.8","0.7","90","2","90","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C71 H72 Ag Cl2 F3 N4 O5 S -","- C71 H72 Ag Cl2 F3 N4 O5 S -","- C284 H288 Ag4 Cl8 F12 N16 O20 S4 -","4","1","","Ju, Huiyeong; Hiraoka, Takao; Horita, Hiroki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Argentivorous molecules with chromophores: dependence of fluorescence intensity on the distance between donor and acceptor","Dalton Transactions","2022","","","","","10.1039/D2DT01581A","","","0.71073","MoKα","","0.0296","0.0281","","","0.0713","0.0724","","","","","","1.01","","","","has coordinates","277737","2022-09-08","22:46:36",""
"7711230","22.8568","0.0007","10.9255","0.0004","28.4085","0.0008","90","","90","","90","","7094.2","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H45 Bi N2 O4 -","- C38 H45 Bi N2 O4 -","- C304 H360 Bi8 N16 O32 -","8","2","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.1213","0.0632","","","0.081","0.0928","","","","","","1.005","","","","has coordinates","277818","2022-09-13","22:51:42",""
"7711341","11.4635","0.0002","16.0928","0.0003","7.756","0.0002","90","","90","","90","","1430.83","0.05","100.01","0.14","100.01","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H14 B N O3 -","- C17 H14 B N O3 -","- C68 H56 B4 N4 O12 -","4","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0333","0.03","","","0.0709","0.0727","","","","","","1.055","","","","has coordinates","278200","2022-09-26","22:53:09",""
"7711560","21.951","0.0007","14.8413","0.0005","15.1618","0.0004","90","","90","","90","","4939.4","0.3","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H78 Li2 O4 P4 -","- C44 H78 Li2 O4 P4 -","- C176 H312 Li8 O16 P16 -","4","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.5418","CuKα","","0.093","0.0656","","0.1615","0.1339","0.1615","","","","","","0.9939","","","","has coordinates","278825","2022-10-26","23:15:53",""
"7711863","13.5556","0.0005","18.201","0.0006","16.9952","0.0006","90","","90","","90","","4193.1","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H65 N2 Sb Si -","- C42 H65 N2 Sb Si -","- C168 H260 N8 Sb4 Si4 -","4","1","","Novák, Pavel; Erben, Milan; Jambor, Roman; Hejda, Martin; Růžička, Aleš; Rychagova, Elena; Ketkov, Sergey; Dostál, Libor","The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal Sb-H bonds.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","218","227","10.1039/d2dt03564b","","","0.71073","MoKα","","0.0551","0.0386","","","0.0851","0.0911","","","","","","1.027","","","","has coordinates,has disorder","283232","2023-05-05","01:39:53",""
"7711967","16.8879","0.0004","8.1763","0.0002","7.7975","0.0002","90","","90","","90","","1076.68","0.05","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Cheng, Haiming; Cao, Chi; Teng, Shiyong; Zhang, Zhinan; Zhang, Ying; Wang, Dayang; Yang, Wensheng; Xie, Renguo","Sn(II)-doped one-dimensional hybrid metal halide [C<sub>5</sub>H<sub>14</sub>NO]CdCl<sub>3</sub> single crystals with broadband greenish-yellow light emission.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1021","1029","10.1039/d2dt03697e","","","0.71073","MoKα","","0.0189","0.0175","","","0.0339","0.0343","","","","","","1.051","","","","has coordinates","283272","2023-05-05","01:54:45",""
"7712065","16.767","0.008","9.909","0.004","15.52","0.007","90","","90","","90","","2579","2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H16 Br3 N3 -","- C1.4 H3.2 Br0.6 N0.6 -","- C56 H128 Br24 N24 -","40","10","","Zhang, Haina; You, Xiuli; Zhang, Mengxia; Guo, Wenjing; Wei, Zhenhong; Cai, Hu","Two metal-free perovskite molecules with different 3D frameworks show reversible phase transition, dielectric anomaly and SHG effect.","Dalton transactions (Cambridge, England : 2003)","2023","52","6","1753","1760","10.1039/d2dt03889g","","","0.71073","MoKα","","0.0874","0.0562","","","0.1065","0.1173","","","","","","1.064","","","","has coordinates,has disorder","283300","2023-05-05","02:17:34",""
"7712354","18.1002","0.0006","7.8365","0.0002","20.7171","0.0005","90","","90","","90","","2938.56","0.14","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H20 Br2 F2 N4 O4 Pt2 -","- C34 H20 Br2 F2 N4 O4 Pt2 -","- C136 H80 Br8 F8 N16 O16 Pt8 -","4","1","","Makino, Yusuke; Yoshida, Masaki; Hayashi, Shotaro; Sasaki, Toshiyuki; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic and bright assembly-induced luminescent crystal of platinum(II) complexes with near-unity emission quantum yield","Dalton Transactions","2023","","","","","10.1039/D3DT00192J","","x-ray","1.54184","CuKα","","0.0477","0.0455","","","0.1183","0.1199","","","","","","1.083","","","","has coordinates","281083","2023-02-22","09:08:28",""
"7712370","15.5042","0.0005","7.8841","0.0003","19.5359","0.0008","90","","90","","90","","2388","0.15","150","0.1","150","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ba2 Ce H2 I8 O25 -","- Ba2 Ce H2 I8 O25 -","- Ba8 Ce4 H8 I32 O100 -","4","1","","Zhang, Xue-Ying; Zhang, Xiao-Han; Yang, Bing-Ping; Mao, Jiang-Gao","A new polar alkaline earth−rare earth−iodate, Ba2Ce(IO3)8(H2O)","Dalton Transactions","2023","","","","","10.1039/D3DT00326D","","x-ray","0.71073","MoKα","","0.0277","0.0246","","","0.0527","0.0548","","","","","","1.052","","","","has coordinates","281101","2023-02-23","08:42:40",""
"7712409","11.3541","0.0003","40.7113","0.0011","8.9369","0.0002","90","","90","","90","","4130.99","0.18","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H43 Br3 P2 Pd -","- C46 H43 Br3 P2 Pd -","- C184 H172 Br12 P8 Pd4 -","4","1","","Shenoy, Rashmi V.; Jones, P. G.; Soler, José Vicente; Martinez-Viviente, Eloisa","Synthesis of Mono-, Di- and Tripalladated 1,3,5-Benzenetristyryl Complexes. CO Insertion to give a Dipalladated Indenone","Dalton Transactions","2023","","","","","10.1039/D3DT00091E","","","0.71073","MoKα","","0.0347","0.025","","","0.032","0.0326","","","","","","0.843","","","","has coordinates","281140","2023-02-25","08:40:25",""
"7712517","13.827","0.006","29.9","0.014","4.244","0.002","90","","90","","90","","1754.6","1.4","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.","Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application","Dalton Transactions","2023","","","","","10.1039/D3DT00080J","","","0.71073","MoKα","","0.106","0.053","","0.072","","0.059","","","1.062","","","1.136","","","","has coordinates","281298","2023-03-04","08:51:41",""
"7712566","21.4753","0.0012","17.7824","0.0009","19.634","0.0012","90","","90","","90","","7497.9","0.7","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H36.5 Cl2 Co N4.5 O6.5 -","- C40 H36.5 Cl2 Co N4.5 O6.5 -","- C320 H292 Cl16 Co8 N36 O52 -","8","2","","Anderson, Stephen N.; Elsberg, Josiah G. D.; Berreau, Lisa M.","Light-induced O<sub>2</sub>-dependent aliphatic carbon-carbon (C-C) bond cleavage in bipyridine-ligated Co(II) chlorodiketonate complexes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03727k","","x-ray","0.71073","MoKα","","0.046","0.0356","","","0.0837","0.0891","","","","","","1.032","","","","has coordinates","281785","2023-03-09","23:54:22",""
"7712621","17.308","0.004","8.404","0.002","13.853","0.003","90","","90","","90","","2015","0.8","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H29 I2 N3 O Sm -","- C13 H29 I2 N3 O Sm -","- C52 H116 I8 N12 O4 Sm4 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.1029","0.0506","","","0.0489","0.0563","","","","","","0.985","","","","has coordinates,has disorder","281880","2023-03-15","00:04:43",""
"7712624","16.0712","0.0013","10.0909","0.0008","13.2624","0.001","90","","90","","90","","2150.8","0.3","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H29 I3 La N3 O -","- C13 H29 I3 La N3 O -","- C52 H116 I12 La4 N12 O4 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.0493","0.0397","","","0.0837","0.0872","","","","","","1.021","","","","has coordinates","281880","2023-03-15","00:04:44",""
"7712782","33.398","0.0018","16.121","0.0008","29.589","0.0015","90","","90","","90","","15931","1.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","UoC-9(Sr), LT","","","- C104.85 H89.98 F9 N7.28 O27.28 Sr5 -","- C104.849 H89.981 F9 N7.283 O27.283 Sr5 -","- C419.396 H359.924 F36 N29.132 O109.132 Sr20 -","4","1","","Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P.","Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT00422H","","","0.71073","MoKα","","0.1078","0.0676","","","0.1795","0.2085","","","","","","1.024","","","","has coordinates,has disorder","282680","2023-04-17","23:01:48",""
"7712783","31.6172","0.0008","16.5669","0.0004","28.5512","0.0007","90","","90","","90","","14955.1","0.6","100","2","100","2","","","","","","","Synthesized from calciumnitrate with 3F-BTB in DMF/HOAc mixture","6","P n a 21","P 2c -2n","33","UoC-9(Ca), LT","","","- C122 H130 Ca5 F9 N13 O33 -","- C122 H130 Ca5 F9 N13 O33 -","- C488 H520 Ca20 F36 N52 O132 -","4","1","","Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P.","Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT00422H","","","1.54178","CuKα","","0.0452","0.0412","","","0.1087","0.1109","","","","","","1.034","","","","has coordinates,has disorder","282680","2023-04-17","23:01:48",""
"7713001","9.3463","0.0005","13.8584","0.0007","12.5331","0.0006","90","","90","","90","","1623.35","0.14","100.1","","100.1","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H30 O -","- C21 H30 O -","- C84 H120 O4 -","4","1","","Wannipurage, Duleeka; D'Aniello, Sara; Pappalardo, Daniela; Kulathungage, Lakshani Wathsala; Ward, Cassandra L.; Anderson, Danni P.; Groysman, Stanislav; Mazzeo, Mina","Simple magnesium alkoxides: synthesis, molecular structure, and catalytic behaviour in the ring-opening polymerization of lactide and macrolactones and for copolymerization of maleic anhydride and propylene oxide","Dalton Transactions","2023","","","","","10.1039/D3DT00785E","","","0.71073","MoKα","","0.0728","0.0604","","","0.0933","0.0976","","","","","","1.059","","","","has coordinates","283663","2023-05-10","22:46:12",""
"7713065","35.7225","0.0007","17.1341","0.0003","23.7329","0.0006","90","","90","","90","","14526.3","0.5","100","0.1","100","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C107 H196 Cr9 F12 N O37 Zn -","- C107 H196 Cr9 F12 N O37 Zn -","- C428 H784 Cr36 F48 N4 O148 Zn4 -","4","1","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","0.71073","MoKα","","0.0785","0.0508","","","0.0989","0.1072","","","","","","1.017","","","","has coordinates,has disorder","283840","2023-05-17","23:02:00",""
"7713069","19.8302","0.0012","8.1178","0.0005","18.3922","0.0012","90","","90","","90","","2960.7","0.3","110","0.1","110","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C144 H160 N16 O8 -","8","2","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0971","0.0868","","","0.221","0.234","","","","","","1.192","","","","has coordinates,has disorder","283841","2023-05-17","23:06:09",""
"7713127","18.4645","0.0005","10.3454","0.0003","14.2625","0.0004","90","","90","","90","","2724.46","0.13","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H29 Cl N2 Pd -","- C32 H29 Cl N2 Pd -","- C128 H116 Cl4 N8 Pd4 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0715","0.0592","","","0.1676","0.1795","","","","","","1.075","","","","has coordinates","283948","2023-05-22","22:57:22",""
"7713133","19.8302","0.0012","8.1178","0.0005","18.3922","0.0012","90","","90","","90","","2960.7","0.3","110","0.1","110","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C144 H160 N16 O8 -","8","2","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0971","0.0868","","","0.221","0.234","","","","","","1.192","","","","has coordinates,has disorder","283949","2023-05-22","23:01:48",""
"7713373","8.0799","0.0003","15.5637","0.0005","15.6684","0.0006","90","","90","","90","","1970.35","0.12","125","2","125","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 Br N5 -","- C24 H20 Br N5 -","- C96 H80 Br4 N20 -","4","1","","Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest","Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents","Dalton Transactions","2023","","","","","10.1039/D3DT01632C","","","0.71073","MoKα","","0.0703","0.048","","","0.1145","0.1227","","","","","","1.014","","","","has coordinates","284790","2023-07-04","23:03:12",""
"7713467","37.1635","0.0007","22.8533","0.0004","14.3046","0.0002","90","","90","","90","","12149","0.4","150","0.14","150.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C96 H122 Cl4 Fe3 I6 K3 N18 O18 -","- C96 H122 Cl4 Fe3 I6 K3 N18 O18 -","- C384 H488 Cl16 Fe12 I24 K12 N72 O72 -","4","1","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Shestakov, Alexander F.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Magnetic behavior and ground spin states for coordination {L.[M(II)(Hal)2]3}(3-) assemblies (Hal = Cl or I) of radical trianion hexacyanohexaazatriphenylenes (L) with three coordinated high-spin Fe(II) (S = 2) or Co(II) (S = 3/2) centers","Dalton Transactions","2023","","","","","10.1039/D3DT01571H","","","0.71073","MoKα","","0.0638","0.0556","","","0.1295","0.135","","","","","","1.127","","","","has coordinates","285208","2023-07-13","23:02:10",""
"7713518","17.33","0.0006","11.3842","0.0005","23.0199","0.0011","90","","90","","90","","4541.6","0.3","200.01","0.1","200.01","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H30.5 Cl F3 N O9 S -","- C15 H30.5 Cl F3 N O9 S -","- C120 H244 Cl8 F24 N8 O72 S8 -","8","2","","Song, Ning; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun Zhi; Liao, Juan; Wang, Li Juan; Wang, Fang Xin; Wan, Ming-Yang","2-Chloroethylamine·Trifluoromethanesulfonate Combined with 18-Crown-6: a Ferroelectric with Excellent Dielectric Switching Properties","Dalton Transactions","2023","","","","","10.1039/D3DT01426F","","x-ray","0.71073","MoKα","","0.1521","0.1179","","","0.2916","0.3191","","","","","","1.163","","","","has coordinates","285281","2023-07-19","22:59:45",""
"7713706","18.962","0.0017","14.004","0.0008","19.703","0.002","90","","90","","90","","5232","0.8","150","1","150","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C46 H74 Al2 Li2 N4 P2 Se2 -","- C46 H74 Al2 Li2 N4 P2 Se2 -","- C184 H296 Al8 Li8 N16 P8 Se8 -","4","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0987","0.0551","","","0.1028","0.1289","","","","","","1.15","","","","has coordinates","285608","2023-08-09","22:57:17",""
"7713779","38.3429","0.0005","18.0379","0.0004","37.1508","0.0006","90","","90","","90","","25694.4","0.8","100","0.11","100","0.11","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C200 H144 F24 Fe4 N36 O24 S8 -","- C192 H144 Fe4 N36 -","- C768 H576 Fe16 N144 -","4","1","","Paschelke, Tobias; Trumpf, Eicke; Grantz, David; Pankau, Malte; Grocholski, Niclas; Näther, Christian; Sönnichsen, Frank D; McConnell, Anna J.","Tuning the spin-crossover properties of FeII4L<sub>6</sub> cages <i>via</i> the interplay of coordination motif and linker modifications.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01569f","","x-ray","1.54184","CuKα","","0.163","0.1165","","","0.3123","0.3504","","","","","","1.185","","","","has coordinates","285865","2023-08-24","22:57:36",""
"7713796","18.3597","0.001","20.6053","0.001","10.1258","0.0006","90","","90","","90","","3830.7","0.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H36 Ag Cl N3 O2 S0 -","- C45 H36 Ag Cl N3 O2 -","- C180 H144 Ag4 Cl4 N12 O8 -","4","1","","Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT02255B","","","0.71073","MoKα","","0.0672","0.0456","","","0.0896","0.0984","","","","","","1.046","","","","has coordinates","285895","2023-08-29","22:49:28",""
"7713846","20.3288","0.001","20.6729","0.001","8.8263","0.0004","90","","90","","90","","3709.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H37 Cl2 N P2 Ru S -","- C43 H37 Cl2 N P2 Ru S -","- C172 H148 Cl8 N4 P8 Ru4 S4 -","4","1","","Dang, Duy-Khoi; Cehreli, Damla; Rich, Benjamin S.; Haas, Terry E.; Fronczek, Frank R.; Kirss, Rein","Phosphine Substitution and Linkage Isomerization in Cyclopentadienylruthenium bis(triphenylphosphine)thiocyanide and selenocyanide, CpRu(PPh3)2NCS and CpRu(PPh3)2SeCN","Dalton Transactions","2023","","","","","10.1039/D3DT02397D","","","0.71073","MoKα","","0.0429","0.033","","","0.0653","0.0751","","","","","","1.204","","","","has coordinates","285941","2023-08-31","23:03:57",""
"7713848","13.1668","0.0009","21.2752","0.0012","11.1139","0.0007","90","","90","","90","","3113.3","0.3","150","0.5","150","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H33 N P2 Ru Se -","- C37 H33 N P2 Ru Se -","- C148 H132 N4 P8 Ru4 Se4 -","4","1","","Dang, Duy-Khoi; Cehreli, Damla; Rich, Benjamin S.; Haas, Terry E.; Fronczek, Frank R.; Kirss, Rein","Phosphine Substitution and Linkage Isomerization in Cyclopentadienylruthenium bis(triphenylphosphine)thiocyanide and selenocyanide, CpRu(PPh3)2NCS and CpRu(PPh3)2SeCN","Dalton Transactions","2023","","","","","10.1039/D3DT02397D","","","0.71073","MoKα","","0.1508","0.106","","","0.2107","0.227","","","","","","1.174","","","","has coordinates,has disorder","285941","2023-08-31","23:03:57",""
"7713887","14.2675","0.0001","13.0762","0.0001","47.5036","0.0002","90","","90","","90","","8862.49","0.1","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H31 Al O -","- C25 H31 Al O -","- C400 H496 Al16 O16 -","16","4","","Brouillet, Etienne Volcan; Brown, Scott; Kennedy, Alan; Rae, Annabel; Walton, Heather; Robertson, Stuart Duncan","Atom economic access to cationic magnesium complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02669H","","","1.54184","CuKα","","0.0395","0.0391","","","0.1081","0.1085","","","","","","1.059","","","","has coordinates","285958","2023-09-01","23:08:18",""
"7713987","24.0544","0.0017","12.1363","0.0008","13.6142","0.0011","90","","90","","90","","3974.4","0.5","115","2","115","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H59 N3 Si6 U -","- C26 H59 N3 Si6 U -","- C104 H236 N12 Si24 U4 -","4","1","","Nguyen, Thien H.; Pauly, Christophe; Kent, Greggory; Wu, Guang; Hayton, Trevor W.","Dimerization and Ring-opening in Bis(diisopropylamino)cyclopropenylidene (BAC) Mediated by [U(NR2)3(CCPh)] (R = SiMe3)","Dalton Transactions","2023","","","","","10.1039/D3DT02741D","","","0.71073","MoKα","","0.0602","0.0426","","","0.0748","0.0792","","","","","","0.996","","","","has coordinates","286421","2023-09-19","22:54:30",""
"7714030","20.764","0.0003","10.7073","0.0002","12.7363","0.0002","90","","90","","90","","2831.62","0.08","150","","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H41 Cs N2 -","- C29 H41 Cs N2 -","- C116 H164 Cs4 N8 -","4","1","","Videa, Hellen; Martínez-Martínez, Antonio J","Revealing unbound β-diketiminate anions: structural dynamics from caesium complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","37","13058","13062","10.1039/d3dt01592k","","","0.71073","MoKα","","0.0298","0.025","","","0.0555","0.0579","","","","","","1.036","","","","has coordinates","286548","2023-09-26","23:07:43",""
"7714060","31.4242","0.0014","19.2612","0.0009","8.9346","0.0007","90","","90","","90","","5407.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C64 H69 Br P2 Ru -","- C64 H69 Br P2 Ru -","- C256 H276 Br4 P8 Ru4 -","4","1","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","x-ray","1.54178","CuKα","","0.1506","0.1109","","","0.1883","0.2048","","","","","","1.136","","","","has coordinates,has disorder","286599","2023-09-28","22:59:55",""
"7714086","25.2181","0.0006","12.455","0.0002","12.9419","0.0003","90","","90","","90","","4064.94","0.15","120","2","120.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis[2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine]iron(II)ditetrafluoroborate methanol (1.5/1.41) solvate","","- C39.5 H32 B2 F8 Fe N10 O1.5 -","- C39.5 H32 B2 F8 Fe N10 O1.5 -","- C158 H128 B8 F32 Fe4 N40 O6 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm","Iron(II) Complexes of 2,6-Bis(imidazo[1,2‑a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors","Dalton Transactions","2023","","","","","10.1039/D3DT02747C","","","1.54184","CuKα","","0.0526","0.0499","","","0.1419","0.1451","","","","","","1.061","","","","has coordinates,has disorder","286630","2023-10-02","22:53:15",""
"7714095","30.2653","0.0007","9.514","0.0002","15.0351","0.0004","90","","90","","90","","4329.27","0.18","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H35 N2 P -","- C22 H35 N2 P -","- C176 H280 N16 P8 -","8","2","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","1.54178","CuKα","","0.0345","0.0326","","","0.0829","0.0844","","","","","","1.039","","","","has coordinates,has disorder","286642","2023-10-03","22:53:48",""
"7714117","12.9139","0.0003","13.4889","0.0003","12.1207","0.0003","90","","90","","90","","2111.36","0.09","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H30 B F3 N2 O3 S -","- C17 H30 B F3 N2 O3 S -","- C68 H120 B4 F12 N8 O12 S4 -","4","1","","Yoshino, Junro; Hirono, Yoshito; Kaneda, Ayako; Hayashi, Naoto","Synthesis, Structures, and Solid-State Photoresponsive Color Change Behavior of Boronium Complexes Bearing a Pyridine-Imine, Diimine, or Pyridine-Ketone Bidentate Ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02332J","","","0.71075","MoKα","","0.05","0.047","","","0.1411","0.1444","","","","","","1.24","","","","has coordinates","286662","2023-10-04","22:55:10",""
"7714133","23.4868","0.0001","18.5731","0.0001","16.4848","0.0001","90","","90","","90","","7191.04","0.07","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H12 Br I N2 Pt S -","- C18 H12 Br I N2 Pt S -","- C288 H192 Br16 I16 N32 Pt16 S16 -","16","4","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","x-ray","1.54184","CuKα","","0.0783","0.0781","","","0.173","0.1731","","","","","","1.056","","","","has coordinates","286833","2023-10-06","22:58:51",""
"7714296","18.035","0.0018","10.8962","0.001","19.662","0.004","90","","90","","90","","3863.8","0.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H57 B Na O3 P -","- C40 H57 B Na O3 P -","- C160 H228 B4 Na4 O12 P4 -","4","1","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.0937","0.0649","","","0.1492","0.1652","","","","","","1.065","","","","has coordinates,has disorder","287098","2023-10-24","23:00:21",""
"7714341","18.1455","0.0014","10.9826","0.0008","16.0897","0.0011","90","","90","","90","","3206.4","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 In N O8 S4 -","- C26 H28 In N O8 S4 -","- C104 H112 In4 N4 O32 S16 -","4","1","","Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato","Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation","Dalton Transactions","2023","","","","","10.1039/D3DT02681G","","","0.71073","MoKα","","0.0682","0.0502","","","0.1173","0.1318","","","","","","1.018","","","","has coordinates","287169","2023-10-30","23:55:11",""
"7714561","18.8039","0.0002","16.2998","0.0002","10.4264","0.0001","90","","90","","90","","3195.69","0.06","99.98","0.1","99.98","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H44 O20 Ti2 V4 -","- C17 H44 O20 Ti2 V4 -","- C68 H176 O80 Ti8 V16 -","4","1","","Dagar, Mamta; Dissanyake, D. M. M. Mevan; Kesler, Daniel N.; Corr, Molly; McPherson, Joshua D.; Brennessel, William W.; McKone, James R.; Matson, Ellen M.","Improved solubility of titanium-doped polyoxovanadate charge carriers for symmetric non-aqueous redox flow batteries.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","93","104","10.1039/d3dt03642a","","x-ray","1.54184","CuKα","","0.0547","0.051","","","0.1377","0.1433","","","","","","1.073","","","","has coordinates","289464","2024-02-04","11:44:54",""
"7714571","12.0624","0.0006","44.306","0.002","15.5799","0.0007","90","","90","","90","","8326.5","0.7","233","2","233.02","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C96 H124 Hf2 N2 O8 -","- C80 H92 Hf2 N2 O4 -","- C320 H368 Hf8 N8 O16 -","4","1","","Li, Yufang; Liu, Qian; Bao, Junhui; Yiu, Shek-Man; Chan, Michael C. W.","Coplanar binuclear group 4 post-metallocene complexes supported by chelating μ-(σ<sub>2</sub>-aryl) ligands: characterisation and olefin polymerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","346","353","10.1039/d3dt03641c","","","1.54178","CuKα","","0.0281","0.0254","","","0.071","0.0716","","","","","","1.036","","","","has coordinates,has disorder","289460","2024-02-04","11:43:11",""
"7714737","20.8156","0.0007","11.5695","0.0004","6.0573","0.0002","90","","90","","90","","1458.76","0.09","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 As N O -","- C18 H14 As N O -","- C72 H56 As4 N4 O4 -","4","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.","Design of luminescent complexes with different Cu<sub>4</sub>I<sub>4</sub> cores based on pyridyl phenoxarsines.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1087","1098","10.1039/d3dt03273f","","","0.71073","MoKα","","0.0612","0.0439","","","0.0958","0.1067","","","","","","1.029","","","","has coordinates","289559","2024-02-04","12:15:03",""
"7714802","15.4562","0.0008","19.4479","0.0014","8.1889","0.0004","90","","90","","90","","2461.5","0.2","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9.5 H11.25 Co0.5 N3.25 S1.5 -","- C9.5 H11.25 Co0.5 N3.25 S1.5 -","- C76 H90 Co4 N26 S12 -","8","2","","Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.","Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1469","1481","10.1039/d3dt02923a","","","0.71073","MoKα","","0.0426","0.0233","","0.0524","0.0491","0.0491","","","","","","0.9999","","","","has coordinates","289493","2024-02-04","11:54:13",""
"7714825","26.54","0.005","10.95","0.002","19.23","0.004","90","","90","","90","","5588.5","1.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H95 Be2 K N4 Si2 -","- C48 H95 Be2 K N4 Si2 -","- C192 H380 Be8 K4 N16 Si8 -","4","1","","Hadlington, Terrance J.","An anionic beryllium hydride dimer with an exceedingly short Be⋯Be distance.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","882","886","10.1039/d3dt03976e","","","0.71073","MoKα","","0.1128","0.0504","","","0.0988","0.1158","","","","","","0.889","","","","has coordinates","289547","2024-02-04","12:07:18",""
"7715047","24.9709","0.0002","13.3223","0.0001","13.1876","0.0001","90","","90","","90","","4387.12","0.06","120","","120","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H42 Cl Co N14 O3 -","- C49 H42 Cl Co N14 O3 -","- C196 H168 Cl4 Co4 N56 O12 -","4","1","","Al-Shewiki, Rasha K; Weheabby, Saddam; Uhlig, Nell; Korb, Marcus; Pester, Tom; Zahn, Stefan; Grecchi, S.; Mussini, P. R.; Rüffer, Tobias; Lang, Heinrich","Cobalt(III)-containing penta-dentate ""helmet""-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3836","3854","10.1039/d3dt03950a","","","1.54184","CuKα","","0.0389","0.0364","","","0.0997","0.1015","","","","","","1.029","","","","has coordinates,has disorder","290160","2024-03-04","20:12:21",""
"7715074","21.2698","0.0008","6.9867","0.0002","12.5238","0.0004","90","","90","","90","","1861.11","0.11","300","2","300","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H20 B20 S2 -","- C4 H20 B20 S2 -","- C16 H80 B80 S8 -","4","1","","Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.","Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4444","4450","10.1039/d3dt04289h","","x-ray","0.71073","MoKα","","0.0432","0.0334","","","0.0747","0.0799","","","","","","1.097","","","","has coordinates","290924","2024-04-04","23:21:27",""
"7715161","28.4173","0.0015","12.7221","0.0007","20.6197","0.001","90","","90","","90","","7454.6","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C86 H99 Al2 N5 O3 -","- C86 H99 Al2 N5 O3 -","- C344 H396 Al8 N20 O12 -","4","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4643","4651","10.1039/d3dt04333a","","","0.71073","MoKα","","0.1217","0.0735","","","0.1384","0.1622","","","","","","1.044","","","","has coordinates,has disorder","290913","2024-04-04","23:17:15",""
"7715271","13.5373","0.0003","7.8765","0.0002","32.0668","0.0008","90","","90","","90","","3419.17","0.14","99.99","0.1","99.99","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H9 N13 O10 -","- C9 H9 N13 O10 -","- C72 H72 N104 O80 -","8","2","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Smirnov, Gennady A.; Gordeev, Pavel B.; Kon'kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Highly energetic <i>N</i>-cyano-substituted CL-20 analogues: challenging the stability limits of polynitro hexaazaisowurtzitanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6100","6111","10.1039/d3dt04203k","","x-ray","1.54184","CuKα","","0.0557","0.0554","","","0.1509","0.1511","","","","","","1.091","","","","has coordinates,has disorder","290927","2024-04-04","23:22:40",""
"7715551","16.66","0.006","10.12","0.002","7.004","0.0017","90","","90","","90","","1180.9","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H15 Li O5 -","- C10 H15 Li O5 -","- C40 H60 Li4 O20 -","4","1","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","x-ray","0.71073","MoKα","","0.0256","0.0245","","","0.0667","0.0673","","","","","","1.061","","","","has coordinates","291617","2024-05-05","02:44:20",""
"7715795","30.8326","0.0008","22.8905","0.0006","13.0504","0.0003","90","","90","","90","","9210.6","0.4","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H58 Au Cl2 F6 N2 Sb -","- C45 H58 Au Cl2 F6 N2 Sb -","- C360 H464 Au8 Cl16 F48 N16 Sb8 -","8","2","","Karade, Deepika V.; Phan, Vo Quang Huy; Dias, Rasika","Coinage metal-ethylene complexes of sterically demanding 1,10-phenanthroline ligands","Dalton Transactions","2024","","","","","10.1039/D4DT00822G","","x-ray","0.71073","MoKα","K-L~3~","0.0237","0.0216","","","0.0439","0.0444","","","","","","1.045","","","","has coordinates","291299","2024-04-19","23:50:20",""
"7716004","39.4872","0.0017","11.474","0.0004","16.3188","0.0008","90","","90","","90","","7393.7","0.5","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C94 H80 B2 Co N8 -","- C94 H80 B2 Co N8 -","- C376 H320 B8 Co4 N32 -","4","1","","Izumiyama, Naoki; Fujii, Shun; Kato, Kiichi; Tokunaga, Ryuya; Hayami, Shinya; Nakaya, Manabu","Spin crossover cobalt(II) complexes exhibiting temperature- and concentration-dependent optical changes in solution","Dalton Transactions","2024","","","","","10.1039/D4DT00433G","","","0.71073","MoKα","","0.0542","0.0462","","","0.0997","0.1042","","","","","","1.073","","","","has coordinates","291795","2024-05-09","22:51:22",""
"8000004","10.511","0.002","13.005","0.003","9.772","0.002","90","","90","","90","","1335.8","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-Ethyl-4-dialkyamino-1,8-naphthalimide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Sandip Banthia; Anunay Samanta","Influence of Structure on the Unusual Spectral Behavior of 4-Dialkylamino-1,8-naphthalimide","Chemistry Letters","2005","34","5","722","","10.1246/cl.2005.722","","x-ray","0.71073","MoKα","","0.0797","0.0473","","","0.0966","0.1111","","","","","","1.039","","","","has coordinates","277875","2022-09-15","11:59:39",""
"8000231","22.9575","0.0012","13.5678","0.0007","10.0581","0.0005","90","","90","","90","","3132.9","0.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C37 H39 N2 O2 -","- C37 H39 N2 O2 -","- C148 H156 N8 O8 -","4","1","","Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro","Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.","The journal of physical chemistry letters","2016","7","16","3067","3072","10.1021/acs.jpclett.6b01271","","","0.71073","MoKα","","0.0553","0.0486","","","0.1231","0.128","","","","","","0.99","","","","has coordinates,has disorder","186255","2020-10-21","18:00:00",""
"8000268","8.5134","0.0003","9.045","0.0004","11.3434","0.0004","90","","90","","90","","873.48","0.06","210.02","0.02","210.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0214","0.021","","","0.0583","0.0586","","","","","","1.113","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000269","8.5269","0.0003","9.0459","0.0004","11.3532","0.0004","90","","90","","90","","875.71","0.06","240.02","0.02","240.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0215","0.021","","","0.0592","0.0594","","","","","","1.114","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000270","8.5544","0.0003","9.0497","0.0004","11.3717","0.0004","90","","90","","90","","880.34","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0214","0.0205","","","0.0594","0.06","","","","","","1.105","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000272","8.4877","0.0003","9.0448","0.0004","11.3269","0.0004","90","","90","","90","","869.56","0.06","150.02","0.02","150.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0235","0.0233","","","0.0664","0.0665","","","","","","1.122","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000277","8.5009","0.0003","9.0436","0.0004","11.3352","0.0004","90","","90","","90","","871.44","0.06","180.02","0.02","180.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0234","0.0231","","","0.0645","0.0647","","","","","","1.116","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000279","8.541","0.0003","9.0472","0.0004","11.3619","0.0004","90","","90","","90","","877.96","0.06","270.02","0.02","270.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0212","0.0207","","","0.058","0.0583","","","","","","1.097","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000422","25.5422","0.0007","10.3454","0.0005","34.6772","0.0012","90","","90","","90","","9163.3","0.6","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H18 Cu3 N9 -","- C24 H18 Cu3 N9 -","- C384 H288 Cu48 N144 -","16","4","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.0856","0.0677","","","0.1839","0.232","","","","","","1.033","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000423","25.6853","0.0011","10.4956","0.0003","35.037","0.002","90","","90","","90","","9445.4","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C96 H73 Cu12 N36 -","- C96 H73 Cu12 N36 -","- C384 H292 Cu48 N144 -","4","1","","Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan","Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.","The journal of physical chemistry letters","2020","","","2067","","10.1021/acs.jpclett.9b03382","","x-ray","1.54184","CuKα","","0.1347","0.059","","","0.0854","0.1196","","","","","","0.971","","","","has coordinates","248623","2020-10-21","18:00:00",""
"8000454","11.1875","0.0006","12.4566","0.0006","16.4477","0.0008","90","","90","","90","","2292.1","0.2","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H0 Mn2 N20 O2 -","- C36 Mn2 N20 O2 -","- C72 Mn4 N40 O4 -","2","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1107","0.1027","","","0.2954","0.3039","","","","","","1.143","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000524","20.556","0.003","7.6031","0.0012","6.1035","0.0009","90","","90","","90","","953.9","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0855","0.066","","","0.1737","0.1966","","","","","","1.049","","","","has coordinates","267831","2021-07-30","23:58:46",""
"8100063","18.37","0.004","4.8704","0.0013","24.616","0.002","90","","90","","90","","2202.4","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C88 H88 N8 O32 -","8","2","","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Lopes, Susana H.; Cabral, Ana M. T. D. P. V.; Rocha Gonsalves, A. M. d'A.; Sobral, Abilio J. F. N.","Crystal structure of 2-hydroxyimino-3-oxo-3-phenyl-propionic acid ethyl ester, C~11~H~11~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","145","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100102","24.252","0.01","8.456","0.003","20.743","0.008","90","","90","","90","","4254","3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 N4 O4 S Zn -","- C8 H12 N4 O4 S Zn -","- C96 H144 N48 O48 S12 Zn12 -","12","3","","Yang, Hai-Lang; Yang, Feng; Zhu, Hai-Liang","Crystal structure of tetrakis(acetonitrile)zinc(II) sulfate, Zn(C~2~H~3~N) ~4~SO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","329","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100148","19.0774","0.0001","10.2427","0.0001","23.7091","0.0003","90","","90","","90","","4632.85","0.08","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H24 Cl5 N O3 Ru -","- C19 H24 Cl5 N O3 Ru -","- C152 H192 Cl40 N8 O24 Ru8 -","8","2","","Dialer, Harald; Knizek, Jörg; Nöth, Heinrich; Beck, Wolfgang","Crystal structure of di-μ-chloro-bis[chloro(η^6^-hexamethylbenzene) ruthenium(II)] - 4-nitrophenol - chloroform (1:2:2), [RuCl~2~(C~12~H~18~)] ~2~ · 2C~6~H~5~NO~3~ · 2CHCl~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","311","313","","","","","","","","0.0452","","","0.1095","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100207","24.249","0.005","8.608","0.002","20.64","0.004","90","","90","","90","","4307.9","1.5","178","2","178","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Ag B F4 N4 -","- C8 H12 Ag B F4 N4 -","- C96 H144 Ag12 B12 F48 N48 -","12","3","","Aly, Aref A. M.; Walfort, Bernhard; Lang, Heinrich","Crystal structure of tetrakis(acetonitrile)silver(I) tetrafluoroborate, [Ag(C~2~H~3~N)~4~][BF~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","489","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100264","8.7927","0.0008","30.165","0.002","4.9136","0.0006","90","","90","","90","","1303.3","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura","Crystal structure of 5-methoxy-6-hydroxy-2,3-dihydro-7H-dibenzo[de,h]- quinolin-7-one, C~17~H~13~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","77","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100335","8.3845","0.001","23.223","0.0019","8.8285","0.0009","90","","90","","90","","1719","0.3","100","2","373","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Kochel, Andrzej; Malinka, Wiseław; Redzicka, Aleksandra","Crystal structure of 1,2,3,4-tetrahydro-2,6-diphenyl-3,5,7-trimethyl- 6H-pyrrolo[3,4-d]pyridazine-1,4-dione, C~21~H~19~N~3~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","235","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100475","29.387","0.009","9.979","0.003","19.062","0.005","90","","90","","90","","5590","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H60 Mo4 N24 O36 -","- C16 H52 Mo4 N24 O36 -","- C64 H208 Mo16 N96 O144 -","4","1","","Tinant, Bernard; Bayot, Daisy; Devillers, Michel","Crystal structure of tetraguanidinium dioxo-tetraperoxo-m-tartratodimolybdate (VI) dihydrate, (CN~3~H~6~)~4~[Mo~2~O~2~(O~2~)~4~(C~4~H~2~O~6~)] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","572","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100522","24.657","0.001","8.6051","0.0005","8.654","0.0007","90","","90","","90","","1836.2","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9.71 B8 La10 -","- C9.71 B8 La10 -","- C38.84 B32 La40 -","4","1","","Babizhetskyy, Volodymyr; Mattausch, Hansjurgen; Simon, Arndt","Crystal structure of lanthanum borocarbide, La~5~B~4~C~5-x~ (x = 0.15)","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100527","15.613","0.003","5.872","0.0012","34.35","0.007","90","","90","","90","","3149.2","1.1","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","finrozole","","","- C18 H17 F N4 O -","- C18 H17 F N4 O -","- C144 H136 F8 N32 O8 -","8","2","","Södervall, Marja; Mutikainen, Ilpo","Crystal structure of 4-[3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol- 1-yl)-propyl]benzonitrile, C~18~H~17~FN~4~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","38","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100840","14.6707","0.0014","8.1155","0.0009","10.494","0.001","90","","90","","90","","1249.4","0.2","291","1","291","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H9 N O4 -","- C16 H9 N O4 -","- C64 H36 N4 O16 -","4","1","","Kolev, Tsonko; Yancheva, Denitsa; Kleb, D.-Chr.; Schürmann, Markus; Preut, Hans; Bleckmann, Paul","Crystal structure of 4-benzoylpyridinium-1-squarate, C~16~H~9~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","65","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100879","19.225","0.004","10.487","0.002","17.636","0.004","90","","90","","90","","3555.6","1.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H60 B F4 P2 Rh -","- C35 H60 B F4 P2 Rh -","- C140 H240 B4 F16 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Heller, Detlef","Crystal structure of 1,4-bis(dicyclohexylphosphino)-butane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~35~H~60~BF~4~P~2~Rh, and of 1,4-bis(dicyclohexylphosphino)-butane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~36~H~64~BF~4~P~2~Rh","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","161","164","","","","","","","","0.054","","","0.0987","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100881","18.829","0.004","10.142","0.002","17.411","0.003","90","","90","","90","","3324.9","1.1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H56 B F4 P2 Rh -","- C33 H56 B F4 P2 Rh -","- C132 H224 B4 F16 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Drexler, Hans-Joachim; Heller, Detlef","Crystal structure of 1,2-bis(dicyclohexylphosphino)-ethane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~33~H~56~BF~4~P~2~Rh and of 1,2-bis(dicyclohexylphosphino)-ethane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~34~H~60~BF~4~P~2~Rh · 1/2CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","165","168","","","","","","","","0.033","","","0.0836","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100912","12.7904","0.0006","11.605","0.0004","7.9968","0.0004","90","","90","","90","","1186.99","0.09","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Potassium samarium nitrate hydrate","","","- H4 K N4 O14 Sm -","- H4 K N4 O14 Sm -","- H16 K4 N16 O56 Sm4 -","4","1","","Held, P.; Bohatý, L.","Crystal structure of potassium samarium nitrate hydrate, K[Sm(NO~3~) ~4~(H~2~O)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","33","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101074","30.095","0.006","12.35","0.003","7.56","0.003","90","","90","","90","","2810","1","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H33 Cl N4 O4 Se2 -","- C26 H33 Cl N4 O4 Se2 -","- C104 H132 Cl4 N16 O16 Se8 -","4","1","","Ward, A. D.; Ward, V. R.; Tiekink, E. R. T.","Crystal structure of 5-methyl-1,4-di[2-(phenylselanyl)cyclohexyl]- 4H-1,2,3,4-tetraazol-1-ium perchlorate, [(C~6~H~5~SeC~6~H~10~)~2~CH~3~CN~4~] ClO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","551","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:41",""
"8101195","9.892","0.007","17.98","0.01","4.952","0.005","90","","90","","90","","881","2","294","","294","","","","","","","","","4","P n a 21","","","","","","- C7 H9 N3 O4 -","- C7 H9 N3 O4 -","- C28 H36 N12 O16 -","4","1","","Klepp, Kurt O.; Schmidt, Harald","Crystal structure of 1,5-diacetyl-2,4-dioxohexahydro-1,3,5-triazine, C~7~H~9~N~3~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","149","150","","","","","","","","0.066","","","0.063","","","","","","","","","","","has coordinates","102815","2020-10-21","18:00:00",""
"8101415","9.2","0.006","15.134","0.005","13.722","0.006","90","","90","","90","","1910","1","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H18 Cl N3 S6 Te -","- C9 H18 Cl N3 S6 Te -","- C36 H72 Cl4 N12 S24 Te4 -","4","1","","Cox, M. J.; Tiekink, E. R. T.","Crystal structure of chlorotris(dimethyldithiocarbamato)tellurium(IV), [Te(S~2~CNMe~2~)~3~Cl]","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","49","50","","","","","","","","0.0353","","","0.0435","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101445","13.6171","0.0013","10.128","0.002","7.962","0.002","90","","90","","90","","1098.1","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","propionitrile-tantalumpentachloride","","","- C3 H5 Cl5 N Ta -","- C3 H5 Cl5 N Ta -","- C12 H20 Cl20 N4 Ta4 -","4","1","","Ahmed, Ibrahim Abdelhalim; Blachnik, Roger; Reuter, Hans; Stumpf, Klaus","Crystal structure of pentachloro(propionitrile)tantalum(V), TaCl~5~ (NC-CH~2~-CH~3~) and of pentachloro(propionitrile)niobium(V), NbCl~5~ (NC-CH~2~-CH~3~)","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","119","120","","","","","","","","0.0387","","","0.1038","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101446","13.6274","0.0013","10.1107","0.0014","7.9265","0.0012","90","","90","","90","","1092.1","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H5 Cl5 N Nb -","- C3 H5 Cl5 N Nb -","- C12 H20 Cl20 N4 Nb4 -","4","1","","Ahmed, Ibrahim Abdelhalim; Blachnik, Roger; Reuter, Hans; Stumpf, Klaus","Crystal structure of pentachloro(propionitrile)tantalum(V), TaCl~5~ (NC-CH~2~-CH~3~) and of pentachloro(propionitrile)niobium(V), NbCl~5~ (NC-CH~2~-CH~3~)","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","119","120","","","","","","","","0.0488","","","0.1283","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101549","10.86312","0.00017","8.30123","0.00014","5.16054","0.00008","90","","90","","90","","465.36","0.01","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Zeolite A(BW)","","","- As4 H8 Li4 O20 Zn4 -","- As H2 Li O5 Zn -","- As4 H8 Li4 O20 Zn4 -","4","1","","Gesing, Thorsten M.","Crystal structure of lithium zinc arsenate hydrate, LiZnAsO~4~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","301","301","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101554","9.969","0.002","13.077","0.003","6.0199","0.0016","90","","90","","90","","784.8","0.3","302","2","302","2","","","","","","","","4","P n a 21","P 2c -2n","33","ammonium sulfate hydrogen sulfamate","","","- H11 N3 O7 S2 -","- H11 N3 O7 S2 -","- H44 N12 O28 S8 -","4","1","","Schreuer, Jürgen","Crystal structure of ammonium sulfate hydrogen sulfamate, (NH4)~2~SO4 · H~3~NSO~3~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","309","310","","","","","","","","0.0278","","","0.07","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101574","19.7821","0.0003","10.6352","0.0002","31.4217","0.0004","90","","90","","90","","6610.7","0.2","243","2","243","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H84 N6 O20 P2 U2 -","- C48 N6 O20 P2 U2 -","- C192 N24 O80 P8 U8 -","4","1","","Cherfa, Samy; Pecaut, Jacques; Nierlich, Martine","Crystal structure of octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine dioxouranium nitrate, C~48~H~84~N~6~O~20~P~2~U~2~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","523","525","","","","","","","","0.0623","","","0.148","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101583","9.185","0.001","5.2293","0.0009","20.168","0.003","90","","90","","90","","968.7","0.2","","","293","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H10 O3 S -","- C9 H10 O3 S -","- C36 H40 O12 S4 -","4","1","","Zukerman-Schpector, J.; Olivato, P. R.; Bueno, E.; Guerrero, S. A.","Crystal structure of 1-phenylsulfonyl-2-propanone, C~9~H~10~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","563","564","","","","","","","","0.0441","","","0.085","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101681","16.5888","0.0006","12.2537","0.0005","5.6054","0.0002","90","","90","","90","","1139.43","0.07","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Phenylbenzylsulfone","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","","M.-C. Liu; J.-C. Ding; W. Feng; H.-Y. Wu","Crystal structure of phenylbenzylsulfone, (C~6~H~5~)(C~7~H~7~)SO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","23","24","","","","0.71073","MoKα","","0.0595","0.0591","","","0.1276","0.1278","","","","","","1.322","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101836","20.196","0.004","6.2154","0.0013","11.243","0.002","90","","90","","90","","1411.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2'-(4-dimethylaminobenzylidene)-2-hydroxybenzoylhydrazide","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Yang, J.-G.; Pan, F.-Y.","Crystal structure of 2'-(4-dimethylaminobenzylidene)-2-hydroxybenzoylhydrazide, (CH~3~)~2~N(C~6~H~4~)(CH)N(NH)(CO)(C~6~H~4~OH)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","515","516","","","","0.71073","MoKα","","0.0595","0.0477","","","0.105","0.1133","","","","","","0.978","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101838","7.68","0.0015","14.873","0.003","14.011","0.003","90","","90","","90","","1600.4","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","aqua-(2,9-dimethyl-1,10-phenanthroline-N,N')diformato-copper(II)","","- C16 H16 Cu N2 O5 -","- C16 H16 Cu N2 O5 -","- C64 H64 Cu4 N8 O20 -","4","1","","Pan, J.-G.; Lin, J.-L.; Zheng, Y.-Q.","Crystal structure of aqua-(2,9-dimethyl-1,10-phenanthroline-N,N')- diformato-copper(II), Cu(C~14~H~12~N~2~)(H~2~O)(HCOO)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","495","496","","","","0.71073","MoKα","","0.0468","0.0399","","","0.0975","0.1024","","","","","","1.045","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101871","25.765","0.004","11.185","0.0016","5.9115","0.0008","90","","90","","90","","1703.6","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2'-(3-benzoxy-4-fluorobenzylidene)-2-hydroxybenzoylhydrazide","","- C20 H15 F N2 O3 -","- C20 H15 F N2 O3 -","- C80 H60 F4 N8 O12 -","4","1","","Liang, H.-D.; Yang, J.-G.; Yan, H.; Pan, F.-Y.","Crystal structure of 2'-(3-benzoxy-4-fluorobenzylidene)-2- hydroxybenzoylhydrazide, C~20~H~15~FN~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","585","586","","","","0.71073","MoKα","","0.1095","0.0518","","","0.1113","0.1254","","","","","","0.759","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101919","25.296","0.002","25.021","0.002","11.51","0.0012","90","","90","","90","","7285","1.1","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:1:7.5)","","- C81 H75 N17 O2.5 Tb -","- C81 H72 N17 O Tb -","- C324 H288 N68 O4 Tb4 -","4","1","","Loosli, C.; Liu, S.-X.; Neels, A.; Labat, G.; Decurtins, S.","Crystal structures of tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:3/2), [N(C~4~H~9~)~4~][Tb(C~8~H~4~N~2~)~2~] · CH~3~OH · 3/2 H~2~O, and tetrabutylammonium bis(phthalocyaninato)dysprosium(III) methanol solvate hydrate (1:1:1), [N(C~4~H~9~)~4~][Dy(C~8~H~4~N~2~)~2~] · CH~3~OH · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","135","141","","","","0.71073","MoKα","","0.0572","0.0518","","","0.1446","0.1489","","","","","","1.044","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101920","25.2158","0.0018","25.0394","0.0015","11.4858","0.0007","90","","90","","90","","7252","0.8","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrabutylammonium bis(phthalocyaninato)dyprosium(III) methanol solvate tetrahydrate","","- C81 H74 Dy N17 O2 -","- C81 H72 Dy N17 O -","- C324 H288 Dy4 N68 O4 -","4","1","","Loosli, C.; Liu, S.-X.; Neels, A.; Labat, G.; Decurtins, S.","Crystal structures of tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:3/2), [N(C~4~H~9~)~4~][Tb(C~8~H~4~N~2~)~2~] · CH~3~OH · 3/2 H~2~O, and tetrabutylammonium bis(phthalocyaninato)dysprosium(III) methanol solvate hydrate (1:1:1), [N(C~4~H~9~)~4~][Dy(C~8~H~4~N~2~)~2~] · CH~3~OH · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","135","141","","","","0.71073","MoKα","","0.1489","0.0523","","","0.0737","0.09","","","","","","0.734","","","","has coordinates,has disorder","211154","2020-10-21","18:00:00",""
"8101954","12.335","0.004","9.636","0.003","5.738","0.002","90","","90","","90","","682","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,5-dinitro-2-pyridone","","- C5 H3 N3 O5 -","- C5 H3 N3 O5 -","- C20 H12 N12 O20 -","4","1","","Zhang, G.-F.; She, J.-B.; Dou, Y.-L.; Fan, R.","Crystal structure of 3,5-dinitro-2-pyridone, C~5~H~3~NO(NO~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","183","184","","","","0.71073","MoKα","","0.0349","0.0314","","","0.0803","0.0849","","","","","","1.001","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102169","14.4031","0.0004","15.568","0.0005","11.0762","0.0003","90","","90","","90","","2483.59","0.13","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3,5-tri(tert-butyl)benzene-cyclopentadienyl-iron trifluorodimethylsilicate","","- C25 H41 F3 Fe Si -","- C25 H41 F3 Fe Si -","- C100 H164 F12 Fe4 Si4 -","4","1","","Ernst, Richard D.; Harvey, Benjamin G.; Bode, Stefan; Arif, Atta M.","Crystal structure of 1,3,5-tri(tert-butyl)benzenecyclopentadienyl- iron trifluorodimethylsilicate, [Fe(C~5~H~5~){C~6~H~3~(C~4~H~9~)~3~}] [Si(CH~3~)~2~F~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","337","338","","","","0.71073","MoKα","","0.0513","0.0412","","","0.0878","0.0936","","","","","","1.028","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102190","11.0623","0.0018","10.8776","0.0017","12.666","0.002","90","","90","","90","","1524.1","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodo-5-amino-1H-pyrazole-3- carbonitrile","","- C11 H4 Cl2 F3 I N4 -","- C11 H4 Cl2 F3 I N4 -","- C44 H16 Cl8 F12 I4 N16 -","4","1","","Li, Shu-Yan; Zhong, Ping; Hu, Mao-Lin","Crystal structure of 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4- iodo-5-amino-1H-pyrazole-3-carbonitrile, C~11~H~4~Cl~2~F~3~IN~4~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","4","423","424","","","","0.71073","MoKα","","0.0555","0.0537","","","0.1148","0.1156","","","","","","1.257","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102322","18.654","0.002","3.8526","0.0005","12.0746","0.0014","90","","90","","90","","867.76","0.18","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 N3 O4 -","- C8 H7 N3 O4 -","- C32 H28 N12 O16 -","4","1","","Andreas Ries; Jürgen Sander; Christian Neis; Anton Zaschka; Bernd Morgenstern; Kaspar Hegetschweiler","Crystal structure of (7Z)-7-(2-azidoethylidene)-2,3- dihydrofuro[3,4-b] [1,4]dioxin-5(7H)-one, C8H7N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","377","","","","","0.71073","MoKα","","0.0299","0.0258","","","0.0608","0.0627","","","","","","1.05","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102410","10.5682","0.0011","23.03","0.002","5.1985","0.0005","90","","90","","90","","1265.2","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-((1H-benzo[d]imidazol-1-yl)methyl) isoindoline-1,3-dione","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","","Su-Qing Wang; Fang-Fang Jian; Huan-Qiang Liu","Crystal structure of 2-((1H-benzo[d]imidazol-1-yl)methyl)isoindoline-1,3-dione, C16H11N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","305","","","","","0.71073","MoKα","","0.0378","0.0304","","","0.0704","0.0744","","","","","","1.122","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102439","13.459","0.003","16.442","0.004","18.273","0.004","90","","90","","90","","4043.7","1.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-(bis(μ^2^-5-nitro-1,3-benzenedicarboxlato)- hexakis(imidazole)-di-manganese(ii) dihyrate.","","- C34 H34 Mn2 N14 O14 -","- C34 H34 Mn2 N14 O14 -","- C136 H136 Mn8 N56 O56 -","4","1","","Ning Zhao; Zhaoxun Lian; Tianjun Lou; Jiamin Zhang; Xiaobo Li; Ping Liu","Crystal structure of catena-(bis(m2-5-nitro-1,3-benzenedicarboxlato)-hexakis(imidazole)dimanganese(II) dihyrate, Mn2(C3H4N2)6(C8H3NO6)2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","463","","","","","0.71073","MoKα","","0.0696","0.0528","","","0.1213","0.132","","","","","","1.022","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102617","13.6624","0.0011","12.8753","0.0011","7.3291","0.0005","90","","90","","90","","1289.24","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H15 O5 Pb -","- C10 H13 O5 Pb -","- C40 H52 O20 Pb4 -","4","1","","Dao-Cheng Xia; Ji-Huan Yao; Shuang Han","Crystal structure of aqua[D-camphoratolead(II)], Pb(H2O)(C10H13O4)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","209","","","","","0.71073","MoKα","","0.0631","0.038","","","0.0861","0.089","","","","","","1.05","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102726","8.685","0.0017","6.648","0.0013","19.264","0.004","90","","90","","90","","1112.3","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(2-Amino-5-chlorophenyl)-1H-benzimidazole, C~13~H~10~ClN~3~","","- C13 H10 Cl N3 -","- C13 H10 Cl N3 -","- C52 H40 Cl4 N12 -","4","1","","Yue Wang; Li Li Di; Guo Wu Lin; Tao Lu","Crystal structure of 2-(2-amino-5-chlorophenyl)-1H-benzimidazole, C13H10ClN3","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","457","","","","","0.71073","MoKα","","0.0623","0.0464","","","0.124","0.1492","","","","","","1.006","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102881","11.854","0.003","10.307","0.003","16.566","0.004","90","","90","","90","","2024","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H13 Cu O9.5 -","- C4 H13 Cu O9.5 -","- C32 H104 Cu8 O76 -","8","2","","Jun-Xia Li; Zhong-Xiang Du","Crystal structure of bis[triaqua(oxydiacetato-k3O,O',O'')copper(II)] trihydrate, [Cu(C4H4O5)(H2O)3]2 · 3H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","795","","","","","0.71073","MoKα","","0.0431","0.0355","","","0.086","0.0914","","","","","","1.026","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103024","7.637","0.003","15.95","0.003","5.545","0.001","90","","90","","90","","675.4","0.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H4 Br N O3 -","- C5 H4 Br N O3 -","- C20 H16 Br4 N4 O12 -","4","1","","Yue Wang; Nan Zhang; Ru-Ji Wang; Chun-Yan Tan; Yu-Yang Jiang","Crystal structure of 2-bromomethyl-5-nitrofuran, C5H4BrNO3","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","161","","","","","0.71073","MoKα","","0.1028","0.0681","","","0.1438","0.1691","","","","","","1.05","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103047","7.5434","0.0008","6.013","0.0005","8.8859","0.001","90","","90","","90","","403.05","0.07","295.15","","295.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","praseodymium thioborate, Pr[BS~3~]","","- B Pr S3 -","- B Pr S3 -","- B4 Pr4 S12 -","4","1","","Jens Hunger; Marija Borna; Rüdiger Kniep","Refinement of the crystal structure of praseodymium trithioborate, Pr[BS3], single crystal data","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","217","","","","","0.710747","MoKα","","0.0249","0.0245","","","0.0601","0.0602","","","","","","1.071","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103048","7.3657","0.0005","6.0272","0.0002","8.8004","0.0006","90","","90","","90","","390.69","0.04","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","Monosamarium trithioborate, Sm[BS~3~]","","- B S3 Sm -","- B S3 Sm -","- B4 S12 Sm4 -","4","1","","Marija Borna; Jens Hunger; Rüdiger Kniep","Crystal structure of monosamarium trithioborate, Sm[BS3]","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","223","","","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.0682","","1.12","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103049","7.2053","0.0009","6.0784","0.0009","8.7194","0.0012","90","","90","","90","","381.88","0.09","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","Monoterbium trithioborate, Tb[BS~3~]","","- B S3 Tb -","- B S3 Tb -","- B4 S12 Tb4 -","4","1","","Marija Borna; Jens Hunger; Rüdiger Kniep","Crystal structure of monoterbium trithioborate, Tb[BS3]","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","225","","","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.0428","","1.2","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103105","16.939","0.004","22.884","0.005","3.8661","0.0009","90","","90","","90","","1498.6","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H13 Cl N2 O3 -","- C17 H13 Cl N2 O3 -","- C68 H52 Cl4 N8 O12 -","4","1","","Xiaolei Zhao; Lei Yang; Guanghua Li","Crystal structure of 4,4'-bipyridinium 5-chlorosalicylate, [C10H9N2][C7H4ClO3]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","105","","","","","0.71073","MoKα","","0.0604","0.0399","","","0.0862","0.0937","","","","","","1.014","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103121","25.8838","0.0013","6.3836","0.0003","9.9193","0.0005","90","","90","","90","","1638.98","0.14","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","nickel N,N'-bis(2-hydroxy-4-methoxysalicylidene)ethylenediaminato","","- C18 H18 N2 Ni O4 -","- C18 H18 N2 Ni O4 -","- C72 H72 N8 Ni4 O16 -","4","1","","Saman Hajmohammadi; Masoumeh Tabatabaee; Sohrab Hajmohammadi; Nasim Basir Ghafoori; Masood Parvez","Crystal structure of N,N'-bis(2-hydroxy-4-methoxysalicylidene)ethylenediaminatonickel(II), Ni(C18H18N2O4)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","131","","","","","0.71073","MoKα","","0.0462","0.0407","","","0.0825","0.0877","","","","","","1.079","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103382","10.313","","8.194","","4.993","","90","","90","","90","","421.932","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li-ABW","","- Al4 H8 Li4 O20 Si4 -","- Al4 H8 Li4 O20 Si4 -","- Al4 H8 Li4 O20 Si4 -","1","0.25","","Krogh Andersen, E.; Ploug-Sørensen, G.","The structure of zeolite Li-A(BW) determined from single crystal data","Zeitschrift fur Kristallographie","1986","176","","67","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:41",""
"8103515","24.43","","6.732","","5.442","","90","","90","","90","","895.006","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","(Mo3.397 Re0.603) O11","","- Mo3.397 O11 Re0.603 -","- Mo3.397 O11 Re0.603 -","- Mo13.588 O44 Re2.412 -","4","1","","Weber, T.; Feller, J.; Oppermann, H.; Paufler, P.","On the exchange of molybdenum by rhenium in gamma-(Mo4-x Rex O11)","Zeitschrift fuer Kristallographie (149,1979-)","1999","214","","98","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","141191","2020-10-21","18:00:00",""
"8103537","6.253","","7.656","","6.881","","90","","90","","90","","329.414","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li H2 P O4","","- H2 Li O4 P -","- H2 Li O4 P -","- H8 Li4 O16 P4 -","4","1","","Catti, M.; Ivaldi, G.","Crystal structure of Li H2 P O4, structural topology and hydrogen bonding in the alkaline dihydrogen orthophosphates","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","146","","215","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103639","17.0743","","4.9011","","13.3391","","90","","90","","90","","1116.25","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na Cs (Si2 O5)","","- Cs Na O5 Si2 -","- Cs Na O5 Si2 -","- Cs8 Na8 O40 Si16 -","8","2","","de Jong, B.H.W.S.; Super, H.T.J.; Frijhoff, R.M.; Spek, A.L.; Nachtegaal, G.","Mixed alkali systems: Dietzel's theorem, X-ray structure, hygroscopicity, and 29-Si MAS NMR of Na Rb Si2 O5 and Na Cs Si2 O5","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","347","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103786","9.456","","13.3304","","13.3011","","90","","90","","90","","1676.63","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sr8 (Al12 O24) (Cr O4)2","","- Al12 Cr2 O32 Sr8 -","- Al12 Cr2 O32 Sr8 -","- Al24 Cr4 O64 Sr16 -","2","0.5","","Toebbens, D.M.; Depmeier, W.","Superstructure of strontium chromate aluminate sodalite at low temperatures","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","586","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","157941","2020-10-21","18:00:00",""
"8103788","4.834","","8.3096","","8.9353","","90","","90","","90","","358.919","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Al2 O3 -","- Al2 O3 -","- Al16 O24 -","8","2","","Smrcok, L.; Halvarsson, M.; Langer, V.; Ruppi, S.","A new Rietveld refinement of kappa-(Al2 O3)","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","409","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103864","24.426","","8.4636","","8.5007","","90","","90","","90","","1757.37","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ce5 B4 C5","","- C5 B4 Ce5 -","- C5 B4 Ce5 -","- C40 B32 Ce40 -","8","2","","Gougeon, P.; Bauer, J.; Halet, J.F.; Ansel, D.","Crystal structure of pentacerium tetraboride pentacarbide, Ce5 B4 C5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","822","822","","","","","","","","","","","","","","","","","","","","","","has coordinates","161609","2020-10-21","18:00:00",""
"8103893","12.891","","6.427","","10.488","","90","","90","","90","","868.936","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K1.14 Rb.86 (Ti O)2 (P O4)2","","- K1.14 O10 P2 Rb0.86 Ti2 -","- K1.15 O10 P2 Rb0.85 Ti2 -","- K4.6 O40 P8 Rb3.4 Ti8 -","4","1","","Harrison, W.T.A.; Stucky, G.D.; Phillips, M.L.F.","Crystal structures of potassium rubidium titanyl phosphate, K1.14 Rb0.86 (Ti O)2 (P O4)2 and potassium titanyl phosphate arsenate, K2 (Ti O)2 (P0.57 As0.43 O4)2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","295","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","162161","2020-10-21","18:00:00",""
"8103985","14.637","","8.786","","8.288","","90","","90","","90","","1065.84","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(C H3)2 N H2 Sn I3","","- C2 H8 I3 N Sn -","- C2 H8 I3 N Sn -","- C8 H32 I12 N4 Sn4 -","4","1","","Thiele, G.; Serr, B.R.","Crastal structure of dimethylammonium triiodostannate(II), (C H3)2 N H2 Sn I3","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","48","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104200","18.6429","","5.437","","9.892","","90","","90","","90","","1002.67","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na Ba (Al F6)","","- Al Ba F6 Na -","- Al Ba F6 Na -","- Al8 Ba8 F48 Na8 -","8","2","","Kubel, F.; Hagemann, H.; Bill, H.","Crystal structure of sodium barium aluminiumhexafluoride, Na Ba Al F6","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","89","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104289","7.945","","18.46","","4.928","","90","","90","","90","","722.764","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li Pb (P O4)","","- Li O4 P Pb -","- Li O4 P Pb -","- Li8 O32 P8 Pb8 -","8","2","","Bagieu-Beucher, M.; Masse, R.","Structure determination of a lead-lithium monophosphate, Li Pb P O4","Zeitschrift fuer Kristallographie (149,1979-)","1989","188","","5","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104315","13.005","","25.622","","19.155","","90","","90","","90","","6382.72","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ag Pb Sb3 S6","","- Ag Pb S6 Sb3 -","- Ag Pb S6 Sb3 -","- Ag24 Pb24 S144 Sb72 -","24","6","","Sawada, H.; Kawada, I.; Hellner, E.; Tokonami, M.","The crystal structure of senandorite (andorite VI): Pb Ag Sb3 S6","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104546","21.3992","0.0017","5.9311","0.0004","5.2923","0.0004","90","","90","","90","","671.7","0.09","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","<i>meta</i>-bromonitrobenzene","3-bromonitrobenzene","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C24 H16 Br4 N4 O8 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of 3-bromonitrobenzene at 200 K, C6H4BrNO2 – temperature effects on cell constants","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1131","1133","10.1515/ncrs-2021-0226","","","0.71073","MoKα","","0.0364","0.0284","","","0.0681","0.0708","","","","","","1.089","","","","has coordinates","272834","2022-02-07","12:30:24",""
"8104608","14.3975","0.0012","7.5773","0.0007","12.25","0.001","90","","90","","90","","1336.4","0.2","150","2","149.99","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C48 H32 Br8 N8 O16 -","8","2","","Huang, Guang","The crystal structure of 3-bromopicolinic acid, C6H4BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1363","1365","10.1515/ncrs-2021-0343","","","0.71073","MoKα","","0.0387","0.0281","","","0.0505","0.0536","","","","","","1.044","","","","has coordinates","273156","2022-02-25","08:39:32",""
"8104631","27.0291","0.0004","14.5593","0.0002","7.95172","0.0001","90","","90","","90","","3129.2","0.07","193","2","193","2","","","","","","","","3","P n a 21","P 2c -2n","33","1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl","","","- C40 H28 O8 -","- C40 H28 O8 -","- C160 H112 O32 -","4","1","","Kobayashi, Miyuki; Iida, Kikuko; Iitsuka, Hiroaki; Li, Kun; Yonezawa, Noriyuki; Okamoto, Akiko","The crystal structure of 1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl dibenzoate, C40H28O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","945","947","10.1515/ncrs-2021-0160","","","1.54187","CuKα","","0.0289","0.0276","","","0.068","0.069","","","","","","1.047","","","","has coordinates","273332","2022-03-04","10:10:34",""
"8104672","9.4506","0.0007","18.1015","0.001","4.4418","0.0003","90","","90","","90","","759.86","0.09","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-bromobenzyl chloride","4-bromobenzyl chloride","","- C7 H6 Br Cl -","- C7 H6 Br Cl -","- C28 H24 Br4 Cl4 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-bromobenzyl chloride, C7H6BrCl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1083","1085","10.1515/ncrs-2021-0227","","","0.71073","MoKα","","0.0356","0.0271","","","0.0537","0.0558","","","","","","1.063","","","","has coordinates","273500","2022-03-07","10:11:30",""
"8104779","29.0466","0.0011","5.2448","0.0003","14.4825","0.0007","90","","90","","90","","2206.32","0.19","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","10-(3,5-di(pyridin-4-yl)phenyl)-10H-phenoxazine","","- C28 H23 N3 O3 -","- C28 H23 N3 O3 -","- C112 H92 N12 O12 -","4","1","","Yang, Zhuqing; Hou, Meng","The crystal structure of 10-(3,5-di(pyridin-4-yl)phenyl)-10H-phenoxazine dihydrate, C28H23N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","605","607","10.1515/ncrs-2021-0001","","x-ray","1.54184","CuKα","","0.0583","0.0511","","","0.1252","0.1341","","","","","","1.074","","","","has coordinates","273779","2022-03-18","07:40:39",""
"8104810","8.9239","0.0005","5.955","0.0003","23.1168","0.0011","90","","90","","90","","1228.47","0.11","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","<i>para</i>-toluidine","<i>para</i>-methylaniline","","- C7 H9 N -","- C7 H9 N -","- C56 H72 N8 -","8","2","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of para-toluidine, C7H9N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","293","295","10.1515/ncrs-2020-0525","","","0.71073","MoKα","","0.0386","0.0367","","","0.1002","0.1019","","","","","","1.083","","","","has coordinates","273811","2022-03-18","10:44:52",""
"8104907","11.677","0.002","13.999","0.003","11.171","0.002","90","","90","","90","","1826.1","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Wang, Wenxiang; Zhu, Chao","The crystal structure of 4-((2-hydroxynaphthalen-1-yl)(pyrrolidin-1-yl)methyl)benzonitrile, C22H20N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","151","153","10.1515/ncrs-2020-0415","","","0.71073","MoKα","","0.0888","0.0521","","","0.0943","0.1078","","","","","","1.074","","","","has coordinates","274061","2022-03-29","07:14:50",""
"8104965","12.0841","0.0009","16.6946","0.0012","9.3837","0.0008","90","","90","","90","","1893.1","0.3","219.99","0.1","219.99","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","1","","Guo, Wei; Zhai, Pengda; Bai, Xiaofan; Li, Nan; Wu, Haixia; Zhang, Zhihui; He, Jingyu","Crystal structure of 2,6-di-tert-butyl-4-(4-methoxybenzylidene)cyclohexa-2,5-dien-1-one, C22H28O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","75","77","10.1515/ncrs-2021-0394","","x-ray","0.71073","MoKα","","0.0704","0.0497","","","0.094","0.1057","","","","","","1.0532","","","","has coordinates","274159","2022-03-31","07:17:13",""
"8105007","9.2062","0.0006","11.5258","0.0007","11.5263","0.0007","90","","90","","90","","1223.04","0.13","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","","Zhang, Qi-Long; Xie, Hai-Fang; Yu, Qing; Yang, Xiao-Sheng","Crystal structure of 3-(3-(pyridin-3-yl)ureido)benzoic acid, C13H11N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","35","36","10.1515/ncrs-2019-0454","","","0.71073","MoKα","","0.0461","0.0377","","","0.0961","0.1006","","","","","","1.042","","","","has coordinates","274308","2022-04-04","08:36:39",""
"8105018","15.43","0.0003","10.6264","0.0002","11.4638","0.0002","90","","90","","90","","1879.67","0.06","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H16 Br2 N2 O7 Zn -","- C14 H16 Br2 N2 O7 Zn -","- C56 H64 Br8 N8 O28 Zn4 -","4","1","","Li, Jun-Xia; Du, Zhong-Xiang; Bai, Ruo-Fei","Crystal structure of aqua-bis(5-bromo-6-methyl-picolinato-κ2N,O)zinc(II) dihydrate, C14H16Br2N2O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","63","65","10.1515/ncrs-2019-0486","","","0.71073","MoKα","","0.0454","0.0328","","","0.0667","0.0709","","","","","","1.054","","","","has coordinates","274320","2022-04-04","09:28:10",""
"8105080","15.84368","0.00004","8.46281","0.00002","20.88054","0.00008","90","","90","","90","","2799.71","0.014","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H30 Cd Cl2 P2 -","- C29 H30 Cd Cl2 P2 -","- C116 H120 Cd4 Cl8 P8 -","4","1","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[{μ2-1,5-bis(diphenylphosphanyl)pentane-κ2 P:P′}dichloridocadmium(II)], C29H30CdCl2P2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","271","273","10.1515/ncrs-2019-0595","","","1.54184","CuKα","","0.0275","0.0275","","","0.0719","0.0719","","","","","","1.013","","","","has coordinates","274744","2022-04-28","09:15:15",""
"8105185","33.781","0.004","5.2087","0.0006","7.2979","0.0008","90","","90","","90","","1284.1","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H11 Cl N2 O2 S -","- C13 H11 Cl N2 O2 S -","- C52 H44 Cl4 N8 O8 S4 -","4","1","","Li, Cui-Cui; Zhang, Li","Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)thiophene-2-carbohydrazide, C13H11ClN2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","223","224","10.1515/ncrs-2021-0461","","","0.71073","MoKα","","0.0605","0.0429","","","0.1088","0.1267","","","","","","1.006","","","","has coordinates","275272","2022-05-09","08:50:12",""
"8105224","17.277","0.003","4.7288","0.0008","17.776","0.003","90","","90","","90","","1452.3","0.4","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 Bi O3 -","- C16 H15 Bi O3 -","- C64 H60 Bi4 O12 -","4","1","","Tan, Nianyuan; Wu, Shuisheng; Lan, Donghui; Au, Chak-Tong; Yi, Bing","Crystal structure of 5H-dibenzo[c,f][1,5]oxabismocin-12 (7H)-yl acetate, C16H15O3Bi","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","579","581","10.1515/ncrs-2019-0825","","","0.71073","MoKα","","0.0327","0.0292","","","0.0661","0.0678","","","","","","1.025","","","","has coordinates,has disorder","275337","2022-05-11","09:27:56",""
"8105337","11.7911","0.0016","31.31","0.005","10.6883","0.0011","90","","90","","90","","3945.9","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H52 Ag2 N10 O8 S2 -","- C36 H52 Ag2 N10 O8 S2 -","- C144 H208 Ag8 N40 O32 S8 -","4","1","","Jiang, Jin-Ke; Yang, Gang; Sun, Li-Ying; Wang, Chun-Yan; Wang, Feng","Crystal structure of poly[(5-bimethylamino-1-naphthalenesulfonato-κO)-(μ3-hexamethylenetetramino-κ3 N:N′:N′′)silver(I)] dihydrate, C36H52Ag2N10O8S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","939","941","10.1515/ncrs-2020-0109","","","0.71073","MoKα","","0.0441","0.0353","","","0.073","0.0784","","","","","","1.074","","","","has coordinates","275768","2022-06-03","08:39:10",""
"8105390","17.198","0.002","12.9497","0.0011","20.496","0.002","90","","90","","90","","4564.6","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H57 B Br6 N6 O4 V2 -","- C34 H57 B Br6 N6 O4 V2 -","- C136 H228 B4 Br24 N24 O16 V8 -","4","1","","Bonitatibus, Peter J.; Armstrong, William H.; Reiss, Guido J.","Preparation and crystal structure of a non-symmetrical vanadium(II) dimer: tri-μ2-bromido-(hydrogen-tris(3-isopropyl-4-bromopyrazol-1-yl)borato-κ3 N,N′,N′′)-tris(tetrahydrofuran-κO)divanadium(II) – tetrahydrofuran (1/1), C34H57BBr6N6O4V2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1101","1103","10.1515/ncrs-2020-0187","","","0.71073","MoKα","","0.0498","0.0441","","","0.1049","0.1093","","","","","","1.096","","","","has coordinates","275985","2022-06-13","07:41:56",""
"8105409","13.8754","0.0008","7.7354","0.0005","18.4616","0.0011","90","","90","","90","","1981.5","0.2","300","2","300","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H19 F2 N O2 S -","- C23 H19 F2 N O2 S -","- C92 H76 F8 N4 O8 S4 -","4","1","","Lang, Tianqiong; Ye, Jianghai; Zou, Taishuang; Tian, Xiaolong; Zhao, Nengwu","The crystal structure of N-((1E,2E)-1,3-bis(4-fluorophenyl)but-2-en-1-ylidene)-4-methylbenzenesulfonamide, C23H19F2NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1163","1165","10.1515/ncrs-2020-0225","","","0.71076","MoKα","","0.0608","0.0449","","","0.0973","0.1066","","","","","","1.066","","","","has coordinates","276020","2022-06-14","09:06:27",""
"8105711","14.152","0.002","22.112","0.003","6.0109","0.0007","90","","90","","90","","1881","0.4","149.99","0.1","149.99","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H25 Cl O -","- C21 H25 Cl O -","- C84 H100 Cl4 O4 -","4","1","","Ding, Yue; Wang, Hongying; Zheng, Qin; Guo, Jiaojie; Zhang, Guangbo; Wang, Jing; Wang, Xiumin; Guo, Haibo","Crystal structure of 2,6-di-tert-butyl-4-(4-chlorobenzylidene)cyclohexa-2,5-dien-1-one, C21H25ClO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","413","415","10.1515/ncrs-2022-0056","","x-ray","0.71073","MoKα","","0.0936","0.0586","","","0.1039","0.1227","","","","","","1.034","","","","has coordinates","277452","2022-08-30","07:29:03",""
"8105716","28.3217","0.0011","5.7477","0.0002","10.3071","0.0003","90","","90","","90","","1677.84","0.1","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H18 Fe O -","- C23 H18 Fe O -","- C92 H72 Fe4 O4 -","4","1","","Zhang, Jingxiao; Gao, Fengge; Qi, Linyue; Yin, Xia","The crystal structure of (E)-1-ferrocenyl-3-(naphthalen-1-yl)prop-2-en-1-one, C23H18FeO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","433","435","10.1515/ncrs-2022-0058","","","0.71073","MoKα","","0.059","0.0372","","","0.0595","0.0713","","","","","","1.082","","","","has coordinates","277457","2022-08-30","08:21:17",""
"8105726","7.556","0.002","37.198","0.012","8.113","0.002","90","","90","","90","","2280.3","1.1","170","","170","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","","Zhang, Lilei; Hu, Jiamin; Qiao, Yumeng","Crystal structure of (E)-1-(4-(3,5-dimethoxystyryl)phenyl)-7-ethylheptanedioate, C25H30O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","471","473","10.1515/ncrs-2022-0079","","","0.71073","MoKα","","0.0858","0.061","","","0.1418","0.1634","","","","","","1.036","","","","has coordinates,has disorder","277486","2022-08-31","09:08:31",""
"8105737","21.069","0.004","8.7963","0.0017","23.757","0.005","90","","90","","90","","4402.9","1.5","296.15","","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H24 I2 N2 -","- C22 H24 I2 N2 -","- C176 H192 I16 N16 -","8","2","","Tang, Lin-Li; Zeng, Fei","The crystal structure of 2-(3,6-di-tert-butyl-1,8-diiodo-9H-carbazol-9-yl)acetonitrile, C22H24I2N2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","513","515","10.1515/ncrs-2022-0083","","","0.71073","MoKα","","0.0676","0.053","","","0.1452","0.1569","","","","","","1.041","","","","has coordinates","277540","2022-09-01","08:12:31",""
"8105790","7.1841","0.0006","23.3361","0.0017","7.1672","0.0005","90","","90","","90","","1201.57","0.16","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 F N2 O -","- C14 H13 F N2 O -","- C56 H52 F4 N8 O4 -","4","1","","Bai, Ling; Hong, Yong; Liu, Wei; Wu, Jie","Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-5-fluorophenol, C14H13FN2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","593","594","10.1515/ncrs-2018-0072","","","0.71073","MoKα","","0.0543","0.0437","","","0.1052","0.1112","","","","","","1.042","","","","has coordinates","277979","2022-09-19","08:39:56",""
"8105794","13.2406","0.0003","21.0883","0.0005","7.1364","0.0002","90","","90","","90","","1992.64","0.09","173","2","173.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-Pentanedione Bis(2,4-dinitrophenylhydrazone)","","- C17 H16 N8 O8 -","- C17 H16 N8 O8 -","- C68 H64 N32 O32 -","4","1","","Akpan, Ekemini D.; Zamisa, Sizwe J.; Omondi, Bernard","Crystal structure of 2,4-pentanedione bis(2,4-dinitrophenylhydrazone), C17H16N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","603","604","10.1515/ncrs-2018-0509","","","0.71073","MoKα","","0.0301","0.0285","","","0.079","0.0802","","","","","","1.06","","","","has coordinates","277995","2022-09-20","08:34:13",""
"8105907","19.4988","0.0009","19.506","0.0009","9.2893","0.0004","90","","90","","90","","3533.1","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H16 N2 O S -","- C23 H16 N2 O S -","- C184 H128 N16 O8 S8 -","8","2","","Alqahtani, Alaa; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Synthesis and crystal structure of 2-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2,3-dihydro-1H-inden-1-one, C23H16N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","969","971","10.1515/ncrs-2019-0189","","","0.71073","MoKα","","0.0804","0.0501","","","0.1082","0.1269","","","","","","1.034","","","","has coordinates,has disorder","278656","2022-10-20","09:11:55",""
"8105970","18.734","0.001","9.401","0.001","19.233","0.001","90","","90","","90","","3387.3","0.4","100.15","","100.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfonyl)-<i>H<i>-pyrazole-3-carboxamide","","- C12 H6 Cl2 F6 N4 O3 S -","- C12 H6 Cl2 F6 N4 O3 S -","- C96 H48 Cl16 F48 N32 O24 S8 -","8","2","","Chen, Lianqing; Tian, Lijun","The crystal structure of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfonyl)-1H-pyrazole-3-carboxamide, C12H6N4Cl2F6O3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1177","1179","10.1515/ncrs-2019-0310","","","0.71073","MoKα","","0.0624","0.0449","","","0.0987","0.1074","","","","","","1.028","","","","has coordinates,has disorder","278771","2022-10-25","08:40:56",""
"8106014","20.6775","0.0012","11.7539","0.0007","5.4868","0.0003","90","","90","","90","","1333.52","0.13","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(pyridine-2-carboxylato-κ^2^<i>N,O</i>) [2-(2-pyridyl)phenyl-κ^2^<i>N,C</i>^1^]palladium(II))","","- C17 H12 N2 O2 Pd -","- C17 H12 N2 O2 Pd -","- C68 H48 N8 O8 Pd4 -","4","1","","Ha, Kwang","Crystal structure of (pyridine-2-carboxylato-κ2N,O)-[2-(2-pyridyl)phenyl-κ2N,C1]palladium(II), C17H12N2O2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1299","1300","10.1515/ncrs-2019-0423","","","0.71073","MoKα","","0.0179","0.0154","","","0.0362","0.0373","","","","","","1.088","","","","has coordinates","279093","2022-11-08","10:11:11",""
"8106129","10.347","0.0003","7.9347","0.0002","17.0947","0.0004","90","","90","","90","","1403.48","0.06","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Wang, Wan-Wan; Chen, Xing-Ying; Wu, Wei-Na","Crystal Structure of 3-((3-hydroxybenzyl)ammonio)-3-phenylpropanoate, C16H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","289","290","10.1515/ncrs-2017-0289","","","0.71073","MoKα","","0.0597","0.0427","","","0.0946","0.1044","","","","","","1.023","","","","has coordinates","279349","2022-11-17","09:16:22",""
"8106212","18.794","0.008","4.0798","0.0017","10.093","0.004","90","","90","","90","","773.9","0.6","291","2","291.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H3 Cl Hg N2 S2 -","- C3 H3 Cl Hg N2 S2 -","- C12 H12 Cl4 Hg4 N8 S8 -","4","1","","Liu, Lian-Wei; Zhao, Bang-Tun","The crystal structure of catena-poly[chlorido-(μ2-5-methyl-1,3,4-thiadiazole-2-thiolato-κ2 S:N)mercury(II)], C3H3ClHgN2S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","547","548","10.1515/ncrs-2017-0277","","","0.71073","MoKα","","0.0693","0.0437","","","0.0922","0.1024","","","","","","1.018","","","","has coordinates","279493","2022-11-23","08:46:17",""
"8106233","29.628","0.0013","7.5784","0.0003","14.36","0.0007","90","","90","","90","","3224.3","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H35 Co2 N10 O7 -","- C27 H35 Co2 N10 O7 -","- C108 H140 Co8 N40 O28 -","4","1","","Youzhu, Yu; Yanhong, Shen; Yongsheng, Niu; Xiaoming, Zheng; Xi, Han; Songyang, Chang","Crystal structure of diazido-bis(μ2-pyridin-2-ylmethanolato-κ2 N:O)-bis(pyridin-2-ylmethanolato-κ2 N,O)dicobalt(III) – methanol (1/3), C27H35Co2N10O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","611","613","10.1515/ncrs-2017-0368","","","0.71073","MoKα","","0.0498","0.0409","","","0.102","0.1133","","","","","","1.165","","","","has coordinates","279531","2022-11-24","08:32:06",""
"8106335","17.2427","0.0006","11.7453","0.0003","21.1828","0.0007","90","","90","","90","","4290","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C156 H140 Mn8 N36 O60 S8 -","- C156 H140 Mn8 N36 O60 S8 -","- C156 H140 Mn8 N36 O60 S8 -","1","0.25","","Chen, Xiao-Miao; Liu, Zheng-Jun; Deng, Tao-Li","Crystal structure of poly-{diaqua-bis[(μ2-3-nitrobenzenesulfonylglycine-κ3 N:O:O′)(4,4′-bipyridine)manganese(II)]}-dimethylformamide (1/1), C39H35Mn2N9O15S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","893","895","10.1515/ncrs-2018-0082","","","0.71073","MoKα","","0.0473","0.0366","","","0.0877","0.096","","","","","","1.018","","","","has coordinates","279727","2022-12-06","08:40:26",""
"8106424","9.2558","0.0012","13.0186","0.0017","13.4684","0.0018","90","","90","","90","","1622.9","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 Br N2 O -","- C17 H21 Br N2 O -","- C68 H84 Br4 N8 O4 -","4","1","","Al-Omary, Fatmah A. M.; Al-Rasheed, Lamees S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 3-(adamantan-1-yl)-1-(4-bromophenyl)urea, C17H21BrN2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","37","39","10.1515/ncrs-2016-0118","","","0.71073","MoKα","","0.1243","0.0471","","","0.0868","0.1059","","","","","","0.994","","","","has coordinates","280211","2023-01-06","09:56:47",""
"8106529","16.6477","0.0008","8.1899","0.0004","12.2143","0.0006","90","","90","","90","","1665.33","0.14","105","","105","","","","","","","","","5","P n a 21","P 2c -2n","33","2,5-diiodo-4-nitroimidzole","2,5-diiodo-4-nitroimidzole","","- C6 H4 I4 N6 O5 -","- C6 H4 I4 N6 O5 -","- C24 H16 I16 N24 O20 -","4","1","","Lizhen, Chen; Pengbao, Lian; Jianlong, Wang","Crystal structure of 2,5-diiodo-4-nitro-1H-imidazole hemihydrate, C6H4I4N6O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","337","338","10.1515/ncrs-2016-0211","","","0.7107","MoKα","","0.0453","0.0406","","","0.0812","0.0859","","","","","","1.047","","","","has coordinates","280502","2023-01-21","09:19:38",""
"8106563","19.6816","0.0009","4.6554","0.0002","11.8795","0.0006","90","","90","","90","","1088.47","0.09","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H6 Br2 N2 -","- C12 H6 Br2 N2 -","- C48 H24 Br8 N8 -","4","1","","Zhang, Yu; Wang, Weizhou","Crystal structure of 2,9-dibromo-1,10-phenanthroline, C12H6Br2N2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","441","442","10.1515/ncrs-2016-0306","","x-ray","0.71073","MoKα","","0.0689","0.0434","","","0.1072","0.1323","","","","","","0.8","","","","has coordinates","280552","2023-01-24","10:08:34",""
"8106607","9.5337","0.001","10.7168","0.0011","11.5675","0.0011","90","","90","","90","","1181.9","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H15 N O3 S -","- C11 H15 N O3 S -","- C44 H60 N4 O12 S4 -","4","1","","Makam, Parameshwar; Samipillai, Marivel; Kruger, Hendrick G.; Govender, Thavendran; Naicker, Tricia","Crystal structure of tert-butyl (phenylsulfinyl)carbamate, C11H15NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","577","578","10.1515/ncrs-2016-0345","","","0.71073","MoKα","","0.0254","0.0252","","","0.0687","0.0689","","","","","","1.074","","","","has coordinates","280648","2023-01-28","08:32:40",""
"8106728","18.1934","0.0005","7.2548","0.0001","11.8168","0.0002","90","","90","","90","","1559.69","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H30 N4 O5 -","- C10 H30 N4 O5 -","- C40 H120 N16 O20 -","4","1","","Li, Xiaokun; Zhu, Linlin","Crystal structure of guanidinium tetraethylammonium carbonate dihydrate, C10H30N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","939","940","10.1515/ncrs-2017-0091","","","0.71073","MoKα","","0.0456","0.0358","","","0.0913","0.0978","","","","","","1.031","","","","has coordinates","280829","2023-02-08","10:26:19",""
"8106848","8.0251","0.0007","10.1627","0.0009","17.0686","0.0016","90","","90","","90","","1392.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","","Al-Abdullah, Ebtehal S.; Ghabbour, Hazem A.; Al-Jabal, Maher M.; Fun, Hoong-Kun; El-Emam, Ali A.","Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C16H19N3O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","273","275","10.1515/ncrs-2015-0118","","","0.71073","MoKα","","0.0712","0.0472","","","0.0961","0.1036","","","","","","1.039","","","","has coordinates","281668","2023-03-06","10:18:53",""
"8106884","12.5603","0.0019","11.5744","0.0017","8.9054","0.0011","90","","90","","90","","1294.6","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H18 N2 O3 S -","- C10 H18 N2 O3 S -","- C40 H72 N8 O12 S4 -","4","1","","Wang, Peizhi; Zeng, Huahui; Wu, Xiangxiang","Crystal structure of tetramethylammonium sulfanilate, C10H18N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","393","394","10.1515/ncrs-2014-9139","","","0.71073","MoKα","","0.062","0.0406","","","0.1007","0.1122","","","","","","1.025","","","","has coordinates","281741","2023-03-08","10:04:21",""
"8106913","10.1222","0.0005","18.6435","0.001","7.619","0.0004","90","","90","","90","","1437.81","0.13","101.8","","101.8","","","","","","","","","5","P n a 21","P 2c -2n","33","","dichlorido(2-(1-methyl-1<i>H</i>benzo[d]imidazol-2-yl)aniline-κ^2^<i>N</i>, <i>N</i>')zinc(II), C~14~H~13~Cl~2~N~3~Zn","","- C14 H13 Cl2 N3 Zn -","- C14 H13 Cl2 N3 Zn -","- C56 H52 Cl8 N12 Zn4 -","4","1","","Zhou, Ting-Ting; Zhang, Dong-Mei; Li, Jia-Wen; Zhang, Fan","Crystal structure of dichlorido(2-(1-methyl-1H-benzo[d]imidazol-2-yl)aniline-κ2 N,N′)zinc(II)","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","477","478","10.1515/ncrs-2015-0146","","","0.7107","MoKα","","0.0486","0.0407","","","0.0741","0.078","","","","","","1.036","","","","has coordinates","281805","2023-03-10","09:55:46",""
"8106937","23.942","0.005","12.3661","0.0014","6.823","0.003","90","","90","","90","","2020.1","1","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","1","","Liu, Zhi-Min","Crystal structure of 2,6-bis(3-methylpyridinyl)hexahydro-4,8-ethenopyrrolo-[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, C24H20N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","551","552","10.1515/ncrs-2015-0185","","","0.71073","MoKα","","0.0754","0.0457","","","0.0847","0.0963","","","","","","1.179","","","","has coordinates","281888","2023-03-15","09:56:07",""
"8106943","8.0381","0.0005","10.4499","0.0008","17.1228","0.0013","90","","90","","90","","1438.27","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","","Al-Tamimi, Abdul-Malek S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","573","575","10.1515/ncrs-2015-0194","","","0.71073","MoKα","","0.0766","0.0499","","","0.0995","0.1105","","","","","","1.025","","","","has coordinates","281994","2023-03-23","07:58:00",""
"8106969","18.9361","0.0002","11.5248","0.0001","6.0142","0.0001","90","","90","","90","","1312.51","0.03","100","0.14","100","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H9 F N4 S -","- C15 H9 F N4 S -","- C60 H36 F4 N16 S4 -","4","1","","Al-Alshaikh, Monirah A.; Ghabbour, Hazem A.; Abdelbaky, Mohammed S. M.; García-Granda, Santiago; El-Emam, Ali A.","Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","661","663","10.1515/ncrs-2015-0236","","x-ray","1.54184","CuKα","","0.0267","0.0263","","","0.0702","0.0706","","","","","","1.055","","","","has coordinates","282020","2023-03-23","10:27:11",""
"8107081","8.9924","0.0005","17.1818","0.001","12.1009","0.0007","90","","90","","90","","1869.66","0.19","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 N4 Ni O4 -","- C18 H22 N4 Ni O4 -","- C72 H88 N16 Ni4 O16 -","4","1","","Li, Wei; Sun, Xuan; Suo, Jian; Xing, Yanpeng; Wang, Daguang","Crystal structure of poly-{[μ2-(E)-1,4-di(1H-imidazol-1-yl)but-2-ene-κ2 N:N′][μ2-cyclohexane-1,4-dicarboxylato-κ4 O,O′:O′′,O′′′]nickel(II)}, C18H22N4NiO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1015","1016","10.1515/ncrs-2016-0023","","","0.71073","MoKα","","0.04","0.0328","","","0.0767","0.0798","","","","","","1.046","","","","has coordinates","282723","2023-04-19","08:13:39",""
"8107173","11.376","0.004","7.966","0.002","19.076","0.006","90","","90","","90","","1728.7","0.9","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N9 O8 -","- C12 H17 N9 O8 -","- C48 H68 N36 O32 -","4","1","","Liu, Penghua; Xing, Jiangtao; Wang, Zhiqiang; Wang, Baomin","Crystal structure of the cocrystal 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane ─ 2,3-dihydroindole (1/1), C12H17N9O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","631","633","10.1515/ncrs-2022-0175","","","0.71073","MoKα","","0.042","0.0373","","","0.0879","0.0908","","","","","","1.05","","","","has coordinates","283656","2023-05-10","08:59:58",""
"8107383","15.5675","0.0012","17.0299","0.0013","6.2644","0.0005","90","","90","","90","","1660.8","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N3 O5 -","- C18 H19 N3 O5 -","- C72 H76 N12 O20 -","4","1","","Zhang, Shi-Qi; Li, Ming; Zong, Hai-Tao","Crystal structure of 2-methoxy-6-[(2-morpholin-4-yl-phenylamino)-methylene]-4-nitro-cyclohexa-2,4-dienone, C18H19N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","165","166","10.1515/ncrs-2022-0525","","","0.71073","MoKα","","0.0451","0.0322","","","0.0751","0.0815","","","","","","1.029","","","","has coordinates","284489","2023-06-16","07:44:23",""
"8107389","9.275","0.001","12.864","0.0017","13.483","0.002","90","","90","","90","","1608.7","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 Cl N2 O -","- C17 H21 Cl N2 O -","- C68 H84 Cl4 N8 O4 -","4","1","","Pang, Liansu; Shao, Xiaojun","The crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)urea, C17H21ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","183","184","10.1515/ncrs-2022-0537","","","0.71073","MoKα","","0.1205","0.0681","","","0.1107","0.1361","","","","","","1.05","","","","has coordinates","284495","2023-06-16","08:44:04",""
"8107405","20.9559","0.0008","14.1567","0.0006","9.1976","0.0004","90","","90","","90","","2728.6","0.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe2 O5 P S2 -","- C26 H21 Fe2 O5 P S2 -","- C104 H84 Fe8 O20 P4 S8 -","4","1","","Bi, Lu-Yan; Liu, Xu-Feng","Crystal structure of pentacarbonyl-(μ 2-ethane-1,2-dithiolato-κ 4 S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ 1 P)diiron (Fe–Fe), C26H21Fe2O5PS2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","239","241","10.1515/ncrs-2022-0570","","","0.71073","MoKα","","0.0243","0.0217","","","0.056","0.057","","","","","","1.083","","","","has coordinates","284513","2023-06-21","08:44:56",""
"8107549","12.329","0.003","9.048","0.003","16.881","0.005","90","","90","","90","","1883.1","1","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H26 F N O -","- C21 H26 F N O -","- C84 H104 F4 N4 O4 -","4","1","","Zhao, Wen-Ze; Tian, Huan","Crystal structure of (E)-2,4-di-tert-butyl-6-(((2-fluorophenyl)imino) methyl)phenol, C21H26FNO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","747","748","10.1515/ncrs-2023-0184","","","0.71073","MoKα","","0.0561","0.05","","","0.1154","0.1184","","","","","","1.1","","","","has coordinates","286528","2023-09-26","07:36:39",""
"9003699","25.262","","14.563","","6.492","","90","","90","","90","","2388.34","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","Wakabayashilite","- As9.3 S14 Sb0.7 -","- As9.3 S14 Sb0.7 -","- As37.2 S56 Sb2.8 -","4","1","","Bonazzi, P.; Lampronti, G. I.; Bindi, L.; Zandari, S.","Wakabayashilite, [(As,Sb)6S9][As4S5]: crystal structure, psuedosymmetry, twinning, and revised chemical formula Sample: White Caps Mine, Nevada","American Mineralogist","2005","90","","1108","1114","10.2138/am.2005.1809","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9005286","17.358","","10.034","","5.946","","90","","90","","90","","1035.62","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","Shomiokite-(Y)","- C3 H6 Na3 O12 Y -","- C3 H6 Na3 O12 Y -","- C12 H24 Na12 O48 Y4 -","4","1","","Rastsvetaeva, R. K.; Pushcharovsky, D. Y.; Pekov, I. V.","Crystal structure of shomiokite-(Y), Na3Y(CO3)3*3H2O","European Journal of Mineralogy","1996","8","","1249","1255","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9005630","20.49","","4.571","","11.89","","90","","90","","90","","1113.61","","","","","","","","","","","","east of Verkhoyansk, Sakha-Yakutia, Russia","6","P n a 21","P 2c -2n","33","","","Pertsevite-(F)","- B3.39 F2.16 H0.96 Mg8 O13.84 Si0.61 -","- B3.39 F2.16 H0.96 Mg8 O13.84 Si0.61 -","- B13.56 F8.64 H3.84 Mg32 O55.36 Si2.44 -","4","1","","Schreyer, W.; Armbruster, T.; Bernhardt, H. J.; Medenbach, O.","Pertsevite, a new silication magnesioborate mineral with an end-member composition Mg2BO3F, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia Locality: east of Verkhoyansk, Sakha-Yakutia, Russia","European Journal of Mineralogy","2003","15","","1007","1018","10.1127/0935-1221/2003/0015-1007","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005747","8.3312","","11.267","","5.661","","90","","90","","90","","531.385","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H4 Al K O6 -","- C H4 Al K O6 -","- C4 H16 Al4 K4 O24 -","4","1","","Fernandez-Carrasco L; Rius, J.","Synthesis and crystal structure determination of hydrated potassium dawsonite from powder diffraction data","European Journal of Mineralogy","2006","18","","99","104","10.1127/0935-1221/2006/0018-0099","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006286","5.0482","","6.6568","","4.9371","","90","","90","","90","","165.911","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- O2 Si -","- O2 Si -","- O8 Si4 -","4","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 3","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007663","5.2857","","5.8675","","3.4883","","90","","90","","90","","108.186","","","","","","","","100","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Modderite","- As Co -","- As Co -","- As4 Co4 -","4","1","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007667","5.4401","","6.0259","","3.3712","","90","","90","","90","","110.513","","","","","","","","100","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","1","","Lyman, P. S.; Prewitt, C. T.","Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa","Acta Crystallographica, Section B","1984","40","1","14","20","10.1107/S0108768184001695","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007679","12.819","","6.399","","10.584","","90","","90","","90","","868.193","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","","Thomas, P. A.; Glazer, A. M.; Watts, B. E.","Crystal structure and nonlinear optical properties of KSnOPO4 and their comparison with KTiOPO4 Note: KTP structure","Acta Crystallographica, Section B","1990","46","3","333","343","10.1107/S0108768190001318","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007680","13.145","","6.526","","10.738","","90","","90","","90","","921.151","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- K O5 P Sn -","- K O4 Os P Sn -","- K8 O32 Os8 P8 Sn8 -","8","2","","Thomas, P. A.; Glazer, A. M.; Watts, B. E.","Crystal structure and nonlinear optical properties of KSnOPO4 and their comparison with KTiOPO4 Note: KTP structure","Acta Crystallographica, Section B","1990","46","3","333","343","10.1107/S0108768190001318","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007841","6.519","","7.872","","6.238","","90","","90","","90","","320.119","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ga Li S2 -","- Ga Li S2 -","- Ga4 Li4 S8 -","4","1","","Leal-Gonzalez J; Melibary, S. S.; Smith, A. J.","Structure of lithium gallium sulfide, LiGaS2","Acta Crystallographica, Section C","1990","46","","2017","2019","10.1107/S0108270190002165","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008120","8.2441","","18.96259","","5.06","","90","","90","","90","","791.027","","","","","","","","","","","","Franklin, New Jersey, USA","4","P n a 21","P 2c -2n","33","","","Larsenite","- O4 Pb Si Zn -","- O4 Pb Si Zn -","- O32 Pb8 Si8 Zn8 -","8","2","","Prewitt, C. T.; Kirchner, E.; Preisinger, A.","Crystal structure of larsenite PbZnSiO4","Zeitschrift fur Kristallographie","1967","124","","115","130","10.1524/zkri.1967.124.1-2.115","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009420","5.557","","4.932","","11.808","","90","","90","","90","","323.623","","","","","","","","","","","","Mesa Grande, California, USA","4","P n a 21","P 2c -2n","33","","","Stibiocolumbite","- Nb0.33 O4 Sb Ta0.67 -","- Nb0.33 O4 Sb Ta0.67 -","- Nb1.32 O16 Sb4 Ta2.68 -","4","1","","Zubkova, N. V.; Pushcharovsky, D. Y.; Giester, G.; Smolin, A. S.; Tillmanns, E.; Brandstatter, F.; Hammer, V.; Peretyazhko, I. S.; Sapozhnikov, A. N.; Kashaev, A. A.","Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their structural relation to the other ABO4 minerals with stibiotantalite (SbTaO4) structure Locality: Mesa Grande, California, USA","Neues Jahrbuch fur Mineralogie, Monatshefte","2002","2002","","145","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009477","9.741","","12.858","","7.001","","90","","90","","90","","876.874","","","","","","","","","","","","Tolbachik Main Fracture eruption, Kamchatka, Russia","5","P n a 21","P 2c -2n","33","","","Kamchatkite","- Cl Cu3 K O9 S2 -","- Cl Cu3 K O9 S2 -","- Cl4 Cu12 K4 O36 S8 -","4","1","","Varaksina, T. V.; Fundamensky, V. S.; Filatov, S. K.; Vergasova, L. P.","The crystal structure of kamchatkite, a new naturally occuring oxychloride sulphate of potassium and copper","Mineralogical Magazine","1990","54","","613","616","10.1180/minmag.1990.054.377.14","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009692","15.149","","7.476","","10.589","","90","","90","","90","","1199.25","","","","","","","","","","","","Synthetic","3","P n a 21","P 2c -2n","33","","","Argyrodite","- Ag8 Ge S6 -","- Ag8 Ge S6 -","- Ag32 Ge4 S24 -","4","1","","Eulenberger, G.","Die kristallstrukture der tieftemperaturmodifikation von Ag8GeS6 Note: z-coordinate of Ag6 altered to reproduce reported bond lengths","Monatshefte fur Chemie","1977","108","","901","913","10.1007/BF00898056","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009883","7.837","","10.61","","5.967","","90","","90","","90","","496.159","","","","180","","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","","Mascagnite","- H8 N2 O4 S -","- H8 N2 O4 S -","- H32 N8 O16 S4 -","4","1","","Schlemper, E. O.; Hamilton, W. C.","Neutron-diffraction study of the structures of ferroelectric and paraelectric ammonium sulfate Note: ferroelectric, T = 180 K Locality: synthetic","Journal of Chemical Physics","1966","44","","4498","4509","10.1063/1.1726666","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:16",""
"9011060","11.35","","5.456","","3.749","","90","","90","","90","","232.159","","","","","","","","","","","","Lauta, Saxony, Germany","3","P n a 21","P 2c -2n","33","","","Lautite","- As Cu S -","- As Cu S -","- As4 Cu4 S4 -","4","1","","Craig, D. C.; Stephenson, N. C.","The crystal structure of lautite, CuAsS","Acta Crystallographica","1965","19","","543","547","10.1107/S0365110X65003869","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011106","13.87","","5.073","","8.33","","90","","90","","90","","586.12","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Gd2 O7 Si2 -","- Gd2 O7 Si2 -","- Gd8 O28 Si8 -","4","1","","Smolin, Y. I.; Shepelev, Y. F.","The crystal structures of the rare earth pyrosilicates","Acta Crystallographica, Section B","1970","26","","484","492","10.1107/S0567740870002698","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011158","12.015","","6.518","","11.173","","90","","90","","90","","875","","","","","","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","","Nasinite","- B5 H5 Na2 O11 -","- B5 H5 Na2 O11 -","- B20 H20 Na8 O44 -","4","1","","Corazza, E.; Menchetti, S.; Sabelli, C.","The crystal structure of nasinite, Na2[B5O8(OH)]*2H2O","Acta Crystallographica, Section B","1975","31","","2405","2410","10.1107/S0567740875007704","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011169","5.456","","4.814","","11.787","","90","","90","","90","","309.588","","","","","","","","","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Cervantite","- O2 Sb -","- O2 Sb -","- O16 Sb8 -","8","2","","Thornton, G.","A neutron diffraction study of a-Sb2O4","Acta Crystallographica, Section B","1977","33","","1271","1273","10.1107/S0567740877005822","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011274","12.8209","","6.4052","","10.5932","","90","","90","","90","","869.918","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","","Hansen, N. K.; Protas, J.; Marnier, G.","The electron-density distribution in KTiOPO4","Acta Crystallographica, Section B","1991","47","5","660","672","10.1107/S0108768191004135","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011447","38.746","","8.816","","7.989","","90","","90","","90","","2728.92","","","","","","","","","","","","Jas-Roux, Hutes-Alps, France","4","P n a 21","P 2c -2n","33","","","Pierrotite","- As2 S8 Sb3 Tl -","- As2 S8 Sb3 Tl -","- As16 S64 Sb24 Tl8 -","8","2","","Engel, P.; Gostojic, M.; Nowacki, W.","The crystal structure of pierrotite, Tl2(Sb,As)10S16","Zeitschrift fur Kristallographie","1983","165","","209","215","10.1524/zkri.1983.165.1-4.209","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012516","5.434","","4.8091","","11.779","","90","","90","","90","","307.816","","","","","","","","","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Cervantite","- O2 Sb -","- O2 Sb -","- O16 Sb8 -","8","2","","Amador, J.; Gutierrez-Puebla E; Monge, M. A.; Rasines, I.; Ruiz-Valero C","Diantimony tetraoxides revisited Note: displacement parameters from ICSD","Inorganic Chemistry","1988","27","","1367","1370","10.1021/ic00281a011","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012783","5.436","","4.81","","11.76","","90","","90","","90","","307.491","","","","","","","","","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Cervantite","- O2 Sb -","- O2 Sb -","- O16 Sb8 -","8","2","","Gopalakrishnan, P. S.; Manohar, H.","Cervantite, alpha-Sb2O4","Crystal Structure Communications","1975","4","","203","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012951","12.49","","6.324","","10.069","","90","","90","","90","","795.318","","","","","","","","6300000","","","","","4","P n a 21","P 2c -2n","33","","","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","","Allan, D. R.; Nelmes, R. J.","The structural pressure dependence of potassium titanyl phosphate (KTP) to 8 GPa Sample: P = 6.3 GPa","Journal of Physics: Condensed Matter","1996","8","","2337","2363","10.1088/0953-8984/8/14/010","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012952","12.387","","6.311","","9.966","","90","","90","","90","","779.086","","","","","","","","8200000","","","","","4","P n a 21","P 2c -2n","33","","","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","","Allan, D. R.; Nelmes, R. J.","The structural pressure dependence of potassium titanyl phosphate (KTP) to 8 GPa Sample: P = 8.2 GPa","Journal of Physics: Condensed Matter","1996","8","","2337","2363","10.1088/0953-8984/8/14/010","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9014433","16.426","","15.014","","5.2235","","90","","90","","90","","1288.22","","","","","","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","","Fabriesite","- Al3 Na3 O13.8 Si3 -","- Al12 Na12 O55.2 Si12 -","- Al12 Na12 O55.2 Si12 -","","","","Hansen, S.; Faelth, L.","X-ray study of the nepheline hydrate I structure","Zeolites","1982","2","","162","166","10.1016/S0144-2449(82)80046-8","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015173","20.44","","4.53","","11.8","","90","","90","","90","","1092.6","","","","","","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","","Pertsevite-(F)","- B4.56 F2.32 Mg8 O13.68 -","- B18.24 F9.28 Mg32 O54.72 -","- B18.24 F9.28 Mg32 O54.72 -","","","","Brovkin, A. A.; Nikishova, L. V.","The crystal structure of a-Mg2BO3F and the isomorphic substitution (3F)=(BO3)","Soviet Physics - Crystallography","1975","20","","452","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016573","14.773","","15.758","","19.91409","","90","","90","","90","","4635.86","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca2 K O23 P5 -","- Ca16 K8 O184 P40 -","- Ca16 K8 O184 P40 -","","","","Averbuch-Pouchot M; Durif, A.; Schuelke, U.","The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4K2P10O30*16(H2O) _cod_database_code 1007233","European Journal of Solid State and Inorganic Chemistry","1996","33","","1091","1100","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017144","5.0647","","8.7131","","9.3842","","90","","90","","90","","414.118","","","","","","","","","","","","basaltic scoria, Menan Volcanic Complex, Rexburg, Idaho","3","P n a 21","P 2c -2n","33","","","Luogufengite","- Al0.235 Fe1.765 O3 -","- Al1.88 Fe14.12 O24 -","- Al1.88 Fe14.12 O24 -","","","","Xu, H.; Lee, S.; Xu, H.","Luogufengite: A new nano-mineral of Fe2O3 polymorph with giant coercive field","American Mineralogist","2017","102","","711","719","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:23",""
"9017311","26.778","","12.402","","7.256","","90","","90","","90","","2409.72","","","","","","","","","","","","Synthetic","3","P n a 21","P 2c -2n","33","","","Flinteite","- Cl4 K2 Zn -","- Cl48 K24 Zn12 -","- Cl48 K24 Zn12 -","","","","Mikhail, I.; Peters, K.","The structure of potassium tetrachlorozincate","Acta Crystallographica, Section B","1979","35","","1200","1201","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:54",""
"9017321","13.138","","6.582","","10.787","","90","","90","","90","","932.798","","","","","","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","","Katiarsite","- As K O5 Ti -","- As8 K8 O40 Ti8 -","- As8 K8 O40 Ti8 -","","","","Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N.","Structure and non-linear optical properties of KTiOAsO4","Acta Crystallographica, Section B","1994","50","","655","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:54",""
"9017385","26.751","","12.393","","7.247","","90","","90","","90","","2402.56","","","","","","","","","","","","Synthetic","3","P n a 21","P 2c -2n","33","","","Flinteite","- Cl4 K2 Zn -","- Cl48 K24 Zn12 -","- Cl48 K24 Zn12 -","","","","Kusz, J.; Kucharczyk, D.","The comparative study of the commensurate structure of K2ZnC14","Applied Crystallography: Proceedings of the XVI Conference","1994","16","","268","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017421","13.773","","7.288","","11.556","","90","","90","","90","","1159.96","","","","","","","","","","","","Synthetic","5","P n a 21","P 2c -2n","33","","","Geschieberite","- H4 K2 O12 S2 U -","- H4 K2 O12 S2 U -","- H16 K8 O48 S8 U4 -","4","1","","Alekseev, E. V.; Suleimanov, E. V.; Chuprunov, E. V.; Marychev, M. O.; Ivanov, V. A.; Fukin, G. K.","Crystal structure and nonlinear optical properties of the K2UO2(SO4)2*2H2O compound at 293 K","Crystallography Reports","2006","51","","29","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017662","25.297","","14.542","","6.493","","90","","90","","90","","2388.57","","","","","","","","","","","","Jas Roux, Hautes-Alpes, France","3","P n a 21","P 2c -2n","33","","","Wakabayashilite","- As9.85 S14 Sb0.15 -","- As39.4 S56 Sb0.6 -","- As39.4 S56 Sb0.6 -","","","","Bindi, L.; Bonazzi, P.; Zoppi, M.; Spry, P. G.","Chemical variability in wakabayashilite: a real feature or an analytical artifact Note: Sample JR1","Mineralogical Magazine","2014","78","","693","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:22:50",""
"9017663","25.31","","14.515","","6.4988","","90","","90","","90","","2387.49","","","","","","","","","","","","White Caps mine, Nevada, USA","3","P n a 21","P 2c -2n","33","","","Wakabayashilite","- As9.887 S14 Sb0.113 -","- As39.548 S56 Sb0.452 -","- As39.548 S56 Sb0.452 -","","","","Bindi, L.; Bonazzi, P.; Zoppi, M.; Spry, P. G.","Chemical variability in wakabayashilite: a real feature or an analytical artifact Note: Sample WC","Mineralogical Magazine","2014","78","","693","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:03",""
"9017695","13.7778","","7.2709","","11.5488","","90","","90","","90","","1156.92","","","","","","","","","","","","Svornost mine, Jachymov, Czech Republic","5","P n a 21","P 2c -2n","33","","","Geschieberite","- H4 K2 O12 S2 U -","- H4 K2 O12 S2 U -","- H16 K8 O48 S8 U4 -","4","1","","Plasil, J.; Hlousek, J.; Kasatkin, A. V.; Skoda, R.; Novak, M.; Cejka, J.","Geschieberite, K2(UO2)(SO4)2(H2O)2, a new uranyl sulfate mineral from Jachymov","Mineralogical Magazine","2015","79","","205","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017772","14.866","","22.24","","10.394","","90","","90","","90","","3436.46","","","","30","","","","","","","","Uchucchacua, Oyon district, Catajambo, Lima Department, Peru","4","P n a 21","P 2c -2n","33","","","Spryite","- Ag24 As2 Ge S18 -","- Ag96 As8 Ge4 S72 -","- Ag96 As8 Ge4 S72 -","","","","Bindi, L.; Morana, M.","Twinning, superstructure and chemical ordering in spryite, Ag8(As3+0.50As5+0.50)S6, at ultra-low temperature: An X-ray single-crystal study Note: T = 30 K","Minerals","2021","11","","","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""